Sample records for theory dft quantum

  1. Quantum theory Bohrification: topos theory and quantum theory

    E-Print Network [OSTI]

    Spitters, Bas

    Quantum theory Bohrification: topos theory and quantum theory Bas Spitters Domains XI, 9/9/2014 Bas Spitters Bohrification: topos theory and quantum theory #12;Quantum theory Point-free Topology The axiom, Krein-Millman, Alaoglu, Hahn-Banach, Gelfand, Zariski, ... Bas Spitters Bohrification: topos theory

  2. Quantum Field Theory & Gravity

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Quantum Field Theory & Gravity Quantum Field Theory & Gravity Understanding discoveries at the Energy, Intensity, and Cosmic Frontiers Get Expertise Rajan Gupta (505) 667-7664...

  3. Quantum Dots: Theory

    E-Print Network [OSTI]

    Vukmirovic, Nenad

    2010-01-01T23:59:59.000Z

    Petersilka, Density Functional Theory (Springer, New York,Quantum Dots: Theory Nenad Vukmirovi´ and Lin-Wang Wang cdensity functional theory; electronic structure; empirical

  4. Quantum Field Theory and Representation Theory

    E-Print Network [OSTI]

    Woit, Peter

    Quantum Field Theory and Representation Theory Peter Woit woit@math.columbia.edu Department of Mathematics Columbia University Quantum Field Theory and Representation Theory ­ p.1 #12;Outline of the talk · Quantum Mechanics and Representation Theory: Some History Quantum Field Theory and Representation Theory

  5. Ricci flow and quantum theory

    E-Print Network [OSTI]

    Robert Carroll

    2007-11-05T23:59:59.000Z

    We show some relations between Ricci flow and quantum theory via Fisher information and the quantum potential.

  6. Theory of Quantum Friction

    E-Print Network [OSTI]

    Mario G. Silveirinha

    2014-06-09T23:59:59.000Z

    Here, we develop a comprehensive quantum theory for the phenomenon of quantum friction. Based on a theory of macroscopic quantum electrodynamics for unstable systems, we calculate the quantum expectation of the friction force, and link the friction effect to the emergence of system instabilities related to the Cherenkov effect. These instabilities may occur due to the hybridization of particular guided modes supported by the individual moving bodies, and selection rules for the interacting modes are derived. It is proven that the quantum friction effect can take place even when the interacting bodies are lossless and made of nondispersive dielectrics.

  7. Reconstructing quantum theory

    E-Print Network [OSTI]

    Lucien Hardy

    2013-03-06T23:59:59.000Z

    We discuss how to reconstruct quantum theory from operational postulates. In particular, the following postulates are consistent only with for classical probability theory and quantum theory. Logical Sharpness: There is a one-to-one map between pure states and maximal effects such that we get unit probability. This maximal effect does not give probability equal to one for any other pure state. Information Locality: A maximal measurement is effected on a composite system if we perform maximal measurements on each of the components. Tomographic Locality: The state of a composite system can be determined from the statistics collected by making measurements on the components. Permutability: There exists a reversible transformation on any system effecting any given permutation of any given maximal set of distinguishable states for that system. Sturdiness: Filters are non-flattening. To single out quantum theory we need only add any requirement that is inconsistent with classical probability theory and consistent with quantum theory.

  8. Generalized Quantum Theory and Mathematical Foundations of Quantum Field Theory

    E-Print Network [OSTI]

    Maroun, Michael Anthony

    2013-01-01T23:59:59.000Z

    The Unique Status of Condensed Matter Theory . . . . . . . .of a Satisfactory Theory . . . . . . . . . . . . BasicThe Generalized Quantum Theory The Postulates and Philosophy

  9. Quantum Theory of Economics

    E-Print Network [OSTI]

    Vladimir I. Zverev; Alexander M. Tishin

    2009-01-29T23:59:59.000Z

    In the given work the first attempt to generalize quantum uncertainty relation on macro objects is made. Business company as one of economical process participants was chosen by the authors for this purpose. The analogies between quantum micro objects and the structures which from the first sight do not have anything in common with physics are given. The proof of generalized uncertainty relation is produced. With the help of generalized uncertainty relation the authors wanted to elaborate a new non-traditional approach to the description of companies' business activity and their developing and try to formulate some advice for them. Thus, our work makes the base of quantum theory of econimics

  10. Noncommutative Quantum Field Theories

    E-Print Network [OSTI]

    H. O. Girotti

    2003-03-19T23:59:59.000Z

    We start by reviewing the formulation of noncommutative quantum mechanics as a constrained system. Then, we address to the problem of field theories defined on a noncommutative space-time manifold. The Moyal product is introduced and the appearance of the UV/IR mechanism is exemplified. The emphasis is on finding and analyzing noncommutative quantum field theories which are renormalizable and free of nonintegrable infrared singularities. In this last connection we give a detailed discussion of the quantization of the noncommutative Wess-Zumino model as well as of its low energy behavior.

  11. Experimental quantum field theory

    E-Print Network [OSTI]

    Bell, J S

    1977-01-01T23:59:59.000Z

    Presented here, is, in the opinion of the author, the essential minimum of quantum field theory that should be known to cultivated experimental particle physicists. The word experimental describes not only the audience aimed at but also the level of mathematical rigour aspired to. (0 refs).

  12. Algebraic Quantum Field Theory

    E-Print Network [OSTI]

    Hans Halvorson; Michael Mueger

    2006-02-14T23:59:59.000Z

    Algebraic quantum field theory provides a general, mathematically precise description of the structure of quantum field theories, and then draws out consequences of this structure by means of various mathematical tools -- the theory of operator algebras, category theory, etc.. Given the rigor and generality of AQFT, it is a particularly apt tool for studying the foundations of QFT. This paper is a survey of AQFT, with an orientation towards foundational topics. In addition to covering the basics of the theory, we discuss issues related to nonlocality, the particle concept, the field concept, and inequivalent representations. We also provide a detailed account of the analysis of superselection rules by S. Doplicher, R. Haag, and J. E. Roberts (DHR); and we give an alternative proof of Doplicher and Roberts' reconstruction of fields and gauge group from the category of physical representations of the observable algebra. The latter is based on unpublished ideas due to Roberts and the abstract duality theorem for symmetric tensor *-categories, a self-contained proof of which is given in the appendix.

  13. Quantum Control Theory

    E-Print Network [OSTI]

    Matthew James

    2014-06-20T23:59:59.000Z

    This paper explains some fundamental ideas of {\\em feedback} control of quantum systems through the study of a relatively simple two-level system coupled to optical field channels. The model for this system includes both continuous and impulsive dynamics. Topics covered in this paper include open and closed loop control, impulsive control, optimal control, quantum filtering, quantum feedback networks, and coherent feedback control.

  14. Quantum Field Theory in Graphene

    E-Print Network [OSTI]

    I. V. Fialkovsky; D. V. Vassilevich

    2011-11-18T23:59:59.000Z

    This is a short non-technical introduction to applications of the Quantum Field Theory methods to graphene. We derive the Dirac model from the tight binding model and describe calculations of the polarization operator (conductivity). Later on, we use this quantity to describe the Quantum Hall Effect, light absorption by graphene, the Faraday effect, and the Casimir interaction.

  15. Gerbes and quantum field theory

    E-Print Network [OSTI]

    Jouko Mickelsson

    2006-03-11T23:59:59.000Z

    The basic mechanism how gerbes arise in quantum field theory is explained; in particular the case of chiral fermions in background fields is treated. The role of of various gauge group extensions (central extensions of loop groups and their generalizations) is also explained, in relation to index theory computation of the Dixmier-Douady class of a gerbe.

  16. Quantum Theory: a Pragmatist Approach

    E-Print Network [OSTI]

    Richard Healey

    2010-08-23T23:59:59.000Z

    While its applications have made quantum theory arguably the most successful theory in physics, its interpretation continues to be the subject of lively debate within the community of physicists and philosophers concerned with conceptual foundations. This situation poses a problem for a pragmatist for whom meaning derives from use. While disputes about how to use quantum theory have arisen from time to time, they have typically been quickly resolved, and consensus reached, within the relevant scientific sub-community. Yet rival accounts of the meaning of quantum theory continue to proliferate . In this article I offer a diagnosis of this situation and outline a pragmatist solution to the problem it poses, leaving further details for subsequent articles.

  17. Monte Carlo Methods in Quantum Field Theory

    E-Print Network [OSTI]

    I. Montvay

    2007-05-30T23:59:59.000Z

    In these lecture notes some applications of Monte Carlo integration methods in Quantum Field Theory - in particular in Quantum Chromodynamics - are introduced and discussed.

  18. A Naturally Renormalized Quantum Field Theory

    E-Print Network [OSTI]

    S. Rouhani; M. V. Takook

    2006-07-07T23:59:59.000Z

    It was shown that quantum metric fluctuations smear out the singularities of Green's functions on the light cone [1], but it does not remove other ultraviolet divergences of quantum field theory. We have proved that the quantum field theory in Krein space, {\\it i.e.} indefinite metric quantization, removes all divergences of quantum field theory with exception of the light cone singularity [2,3]. In this paper, it is discussed that the combination of quantum field theory in Krein space together with consideration of quantum metric fluctuations, results in quantum field theory without any divergences.

  19. Gauge Theory of Quantum Gravity

    E-Print Network [OSTI]

    J. W. Moffat

    1994-01-04T23:59:59.000Z

    A gauge theory of quantum gravity is formulated, in which an internal, field dependent metric is introduced which non-linearly realizes the gauge fields on the non-compact group $SL(2,C)$, while linearly realizing them on $SU(2)$. Einstein's $SL(2,C)$ invariant theory of gravity emerges at low energies, since the extra degrees of freedom associated with the quadratic curvature and the internal metric only dominate at high energies. In a fixed internal metric gauge, only the the $SU(2)$ gauge symmetry is satisfied, the particle spectrum is identified and the Hamiltonian is shown to be bounded from below. Although Lorentz invariance is broken in this gauge, it is satisfied in general. The theory is quantized in this fixed, broken symmetry gauge as an $SU(2)$ gauge theory on a lattice with a lattice spacing equal to the Planck length. This produces a unitary and finite theory of quantum gravity.

  20. Constructive Quantum Field Theory

    E-Print Network [OSTI]

    Giovanni Gallavotti

    2005-10-04T23:59:59.000Z

    A review of the renormalization group approach to the proof of non perturbative ultraviolet stability in scalar field theories in dimension d=2,3.

  1. Renormalization and quantum field theory

    E-Print Network [OSTI]

    R. E. Borcherds

    2011-03-09T23:59:59.000Z

    The aim of this paper is to describe how to use regularization and renormalization to construct a perturbative quantum field theory from a Lagrangian. We first define renormalizations and Feynman measures, and show that although there need not exist a canonical Feynman measure, there is a canonical orbit of Feynman measures under renormalization. We then construct a perturbative quantum field theory from a Lagrangian and a Feynman measure, and show that it satisfies perturbative analogues of the Wightman axioms, extended to allow time-ordered composite operators over curved spacetimes.

  2. The quantum field theory interpretation of quantum mechanics

    E-Print Network [OSTI]

    Alberto C. de la Torre

    2015-03-02T23:59:59.000Z

    It is shown that adopting the \\emph{Quantum Field} ---extended entity in space-time build by dynamic appearance propagation and annihilation of virtual particles--- as the primary ontology the astonishing features of quantum mechanics can be rendered intuitive. This interpretation of quantum mechanics follows from the formalism of the most successful theory in physics: quantum field theory.

  3. Reformulating and Reconstructing Quantum Theory

    E-Print Network [OSTI]

    Lucien Hardy

    2011-08-25T23:59:59.000Z

    We provide a reformulation of finite dimensional quantum theory in the circuit framework in terms of mathematical axioms, and a reconstruction of quantum theory from operational postulates. The mathematical axioms for quantum theory are the following: [Axiom 1] Operations correspond to operators. [Axiom 2] Every complete set of physical operators corresponds to a complete set of operations. The following operational postulates are shown to be equivalent to these mathematical axioms: [P1] Sharpness. Associated with any given pure state is a unique maximal effect giving probability equal to one. This maximal effect does not give probability equal to one for any other pure state. [P2] Information locality. A maximal measurement on a composite system is effected if we perform maximal measurements on each of the components. [P3] Tomographic locality. The state of a composite system can be determined from the statistics collected by making measurements on the components. [P4] Compound permutability. There exists a compound reversible transformation on any system effecting any given permutation of any given maximal set of distinguishable states for that system. [P5] Sturdiness. Filters are non-flattening. Hence, from these postulates we can reconstruct all the usual features of quantum theory: States are represented by positive operators, transformations by completely positive trace non-increasing maps, and effects by positive operators. The Born rule (i.e. the trace rule) for calculating probabilitieso follows. A more detailed abstract is provided in the paper.

  4. Quantum Mechanics and Representation Theory Columbia University

    E-Print Network [OSTI]

    Woit, Peter

    Quantum Mechanics and Representation Theory Peter Woit Columbia University Texas Tech, November 21 2013 Peter Woit (Columbia University) Quantum Mechanics and Representation Theory November 2013 1 / 30, 1967 Peter Woit (Columbia University) Quantum Mechanics and Representation Theory November 2013 2 / 30

  5. Haag's theorem in noncommutative quantum field theory

    SciTech Connect (OSTI)

    Antipin, K. V. [Moscow State University, Faculty of Physics (Russian Federation)] [Moscow State University, Faculty of Physics (Russian Federation); Mnatsakanova, M. N., E-mail: mnatsak@theory.sinp.msu.ru [Moscow State University, Skobeltsyn Institute of Nuclear Physics (Russian Federation); Vernov, Yu. S. [Russian Academy of Sciences, Institute for Nuclear Research (Russian Federation)] [Russian Academy of Sciences, Institute for Nuclear Research (Russian Federation)

    2013-08-15T23:59:59.000Z

    Haag's theorem was extended to the general case of noncommutative quantum field theory when time does not commute with spatial variables. It was proven that if S matrix is equal to unity in one of two theories related by unitary transformation, then the corresponding one in the other theory is equal to unity as well. In fact, this result is valid in any SO(1, 1)-invariant quantum field theory, an important example of which is noncommutative quantum field theory.

  6. Haag's Theorem in Noncommutative Quantum Field Theory

    E-Print Network [OSTI]

    K. V. Antipin; M. N. Mnatsakanova; Yu. S. Vernov

    2012-02-05T23:59:59.000Z

    Haag's theorem was extended to noncommutative quantum field theory in a general case when time does not commute with spatial variables. It was proven that if S-matrix is equal to unity in one of two theories related by unitary transformation, then the corresponding one in another theory is equal to unity as well. In fact this result is valid in any SO(1,1) invariant quantum field theory, of which an important example is noncommutative quantum field theory.

  7. Dynamics of observables and exactly solvable quantum problems: Using time-dependent density functional theory to control quantum systems

    E-Print Network [OSTI]

    Mehdi Farzanehpour; I. V. Tokatly

    2015-06-29T23:59:59.000Z

    We use analytic (current) density-potential maps of time-dependent (current) density functional theory (TD(C)DFT) to inverse engineer analytically solvable time-dependent quantum problems. In this approach the driving potential (the control signal) and the corresponding solution of the Schr\\"odinger equation are parametrized analytically in terms of the basic TD(C)DFT observables. We describe the general reconstruction strategy and illustrate it with a number of explicit examples. First we consider the real space one-particle dynamics driven by a time-dependent electromagnetic field and recover, from the general TDDFT reconstruction formulas, the known exact solution for a driven oscillator with a time-dependent frequency. Then we use analytic maps of the lattice TD(C)DFT to control quantum dynamics in a discrete space. As a first example we construct a time-dependent potential which generates prescribed dynamics on a tight-binding chain. Then our method is applied to the dynamics of spin-1/2 driven by a time dependent magnetic field. We design an analytic control pulse that transfers the system from the ground to excited state and vice versa. This pulse generates the spin flip thus operating as a quantum NOT gate.

  8. RELATIVISTIC QUANTUM FIELD THEORY OF A HYPERNUCLEI

    E-Print Network [OSTI]

    Boguta, J.

    2013-01-01T23:59:59.000Z

    0 Nuclei in Relativistic Field Theory of Nuclear Matter, LBLRelativistic Quantum Field Theory of Finite Nuclei, LBL prein a Relativistic Mean-Field Theory, Stanford preprint F.E.

  9. Quantum theory of gravitational collapse (lecture notes on quantum conchology)

    E-Print Network [OSTI]

    Petr Hajicek

    2002-04-15T23:59:59.000Z

    Preliminary version No.~2 of the lecture notes for the talk ``Quantum theory of gravitational collapse'' given at the 271. WE-Heraeus-Seminar ``Aspects of Quantum Gravity'' at Bad Honnef, 25 February--1 March 2002

  10. Beyond the scalar Higgs, in lattice quantum field theory

    E-Print Network [OSTI]

    Schroeder, Christopher Robert

    2009-01-01T23:59:59.000Z

    as an effective field theory . . . . . Higgs mass upperHiggs, in Lattice Quantum Field Theory by Christopher Robertin Lattice Quantum Field Theory A dissertation submitted in

  11. Some Studies in Noncommutative Quantum Field Theories

    E-Print Network [OSTI]

    Sunandan Gangopadhyay

    2008-06-12T23:59:59.000Z

    The central theme of this thesis is to study some aspects of noncommutative quantum mechanics and noncommutative quantum field theory. We explore how noncommutative structures can emerge and study the consequences of such structures in various physical models.

  12. Lessons in quantum gravity from quantum field theory

    SciTech Connect (OSTI)

    Berenstein, David [Department of Physics, University of California at Santa Barbara, CA 93106 (United States); Institute for Advanced Study, School of Natural Science, Princeton, NJ 08540 (United States)

    2010-12-07T23:59:59.000Z

    This paper reviews advances in the understanding of quantum gravity based on field theory calculations in the AdS/CFT correspondence.

  13. Classical Theorems in Noncommutative Quantum Field Theory

    E-Print Network [OSTI]

    M. Chaichian; M. Mnatsakanova; A. Tureanu; Yu. Vernov

    2006-12-12T23:59:59.000Z

    Classical results of the axiomatic quantum field theory - Reeh and Schlieder's theorems, irreducibility of the set of field operators and generalized Haag's theorem are proven in SO(1,1) invariant quantum field theory, of which an important example is noncommutative quantum field theory. In SO(1,3) invariant theory new consequences of generalized Haag's theorem are obtained. It has been proven that the equality of four-point Wightman functions in two theories leads to the equality of elastic scattering amplitudes and thus the total cross-sections in these theories.

  14. Spinless Quantum Field Theory and Interpretation

    E-Print Network [OSTI]

    Dong-Sheng Wang

    2013-03-07T23:59:59.000Z

    Quantum field theory is mostly known as the most advanced and well-developed theory in physics, which combines quantum mechanics and special relativity consistently. In this work, we study the spinless quantum field theory, namely the Klein-Gordon equation, and we find that there exists a Dirac form of this equation which predicts the existence of spinless fermion. For its understanding, we start from the interpretation of quantum field based on the concept of quantum scope, we also extract new meanings of wave-particle duality and quantum statistics. The existence of spinless fermion is consistent with spin-statistics theorem and also supersymmetry, and it leads to several new kinds of interactions among elementary particles. Our work contributes to the study of spinless quantum field theory and could have implications for the case of higher spin.

  15. Quantum control theory and applications: A survey

    E-Print Network [OSTI]

    Daoyi Dong; Ian R Petersen

    2011-01-10T23:59:59.000Z

    This paper presents a survey on quantum control theory and applications from a control systems perspective. Some of the basic concepts and main developments (including open-loop control and closed-loop control) in quantum control theory are reviewed. In the area of open-loop quantum control, the paper surveys the notion of controllability for quantum systems and presents several control design strategies including optimal control, Lyapunov-based methodologies, variable structure control and quantum incoherent control. In the area of closed-loop quantum control, the paper reviews closed-loop learning control and several important issues related to quantum feedback control including quantum filtering, feedback stabilization, LQG control and robust quantum control.

  16. On Quantum Computation Theory Wim van Dam

    E-Print Network [OSTI]

    ten Cate, Balder

    On Quantum Computation Theory Wim van Dam #12;#12;On Quantum Computation Theory #12;ILLC woensdag 9 oktober 2002, te 14.00 uur door Willem Klaas van Dam geboren te Breda. #12;Promotor: Prof. dr. P Dam, 2002 ISBN: 90­5776­091­6 #12;" . . . Many errors have been made in the world which today

  17. Whiteheadian process and quantum theory

    SciTech Connect (OSTI)

    Stapp, H.

    1998-08-01T23:59:59.000Z

    There are deep similarities between Whitehead's idea of the process by which nature unfolds and the ideas of quantum theory. Whitehead says that the world is made of ''actual occasions'', each of which arises from potentialities created by prior actual occasions. These actual occasions are happenings modeled on experiential events, each of which comes into being and then perishes, only to be replaced by a successor. It is these experience-like happenings that are the basic realities of nature, according to Whitehead, not the persisting physical particles that Newtonian physics took be the basic entities. Similarly, Heisenberg says that what is really happening in a quantum process is the emergence of an actual from potentialities created by prior actualities. In the orthodox Copenhagen interpretation of quantum theory the actual things to which the theory refer are increments in ''our knowledge''. These increments are experiential events. The particles of classical physics lose their fundamental status: they dissolve into diffuse clouds of possibilities. At each stage of the unfolding of nature the complete cloud of possibilities acts like the potentiality for the occurrence of a next increment in knowledge, whose occurrence can radically change the cloud of possibilities/potentialities for the still-later increments in knowledge. The fundamental difference between these ideas about nature and the classical ideas that reigned from the time of Newton until this century concerns the status of the experiential aspects of nature. These are things such as thoughts, ideas, feelings, and sensations. They are distinguished from the physical aspects of nature, which are described in terms of quantities explicitly located in tiny regions of space and time. According to the ideas of classical physics the physical world is made up exclusively of things of this latter type, and the unfolding of the physical world is determined by causal connections involving only these things. Thus experiential-type things could be considered to influence the flow of physical events only insofar as they themselves were completely determined by physical things. In other words, experiential-type qualities. insofar as they could affect the flow of physical events, could--within the framework of classical physics--not be free: they must be completely determined by the physical aspects of nature that are, by themselves,sufficient to determine the flow of physical events.

  18. Metric perturbation theory of quantum dynamics

    E-Print Network [OSTI]

    Antony L Tambyrajah

    2006-10-06T23:59:59.000Z

    A theory of quantum dynamics based on a discrete structure underlying the space time manifold is developed for single particles. It is shown that at the micro domain the interaction of particles with the underlying discrete structure results in the quantum space time manifold. Regarding the resulting quantum space-time as perturbation from the Lorentz metric it is shown it is possible to discuss the dynamics of particles in the quantum domain.

  19. Quantum communication, reference frames and gauge theory

    E-Print Network [OSTI]

    S. J. van Enk

    2006-04-26T23:59:59.000Z

    We consider quantum communication in the case that the communicating parties not only do not share a reference frame but use imperfect quantum communication channels, in that each channel applies some fixed but unknown unitary rotation to each qubit. We discuss similarities and differences between reference frames within that quantum communication model and gauge fields in gauge theory. We generalize the concept of refbits and analyze various quantum communication protocols within the communication model.

  20. Axiomatic quantum field theory in curved spacetime

    E-Print Network [OSTI]

    S. Hollands; R. M. Wald

    2008-03-13T23:59:59.000Z

    The usual formulations of quantum field theory in Minkowski spacetime make crucial use of features--such as Poincare invariance and the existence of a preferred vacuum state--that are very special to Minkowski spacetime. In order to generalize the formulation of quantum field theory to arbitrary globally hyperbolic curved spacetimes, it is essential that the theory be formulated in an entirely local and covariant manner, without assuming the presence of a preferred state. We propose a new framework for quantum field theory, in which the existence of an Operator Product Expansion (OPE) is elevated to a fundamental status, and, in essence, all of the properties of the quantum field theory are determined by its OPE. We provide general axioms for the OPE coefficients of a quantum field theory. These include a local and covariance assumption (implying that the quantum field theory is locally and covariantly constructed from the spacetime metric), a microlocal spectrum condition, an "associativity" condition, and the requirement that the coefficient of the identity in the OPE of the product of a field with its adjoint have positive scaling degree. We prove curved spacetime versions of the spin-statistics theorem and the PCT theorem. Some potentially significant further implications of our new viewpoint on quantum field theory are discussed.

  1. Quantum measure and integration theory

    E-Print Network [OSTI]

    Stan Gudder

    2009-09-11T23:59:59.000Z

    This article begins with a review of quantum measure spaces. Quantum forms and indefinite inner-product spaces are then discussed. The main part of the paper introduces a quantum integral and derives some of its properties. The quantum integral's form for simple functions is characterized and it is shown that the quantum integral generalizes the Lebesgue integral. A bounded, monotone convergence theorem for quantum integrals is obtained and it is shown that a Radon-Nikodym type theorem does not hold for quantum measures. As an example, a quantum-Lebesgue integral on the real line is considered.

  2. Computer Stochastics in Scalar Quantum Field Theory

    E-Print Network [OSTI]

    C. B. Lang

    1993-12-01T23:59:59.000Z

    This is a series of lectures on Monte Carlo results on the non-perturbative, lattice formulation approach to quantum field theory. Emphasis is put on 4D scalar quantum field theory. I discuss real space renormalization group, fixed point properties and logarithmic corrections, partition function zeroes, the triviality bound on the Higgs mass, finite size effects, Goldstone bosons and chiral perturbation theory, and the determination of scattering phase shifts for some scalar models.

  3. Quantum field theory and the Standard Model

    E-Print Network [OSTI]

    W. Hollik

    2010-12-17T23:59:59.000Z

    In this lecture we discuss the basic ingredients for gauge invariant quantum field theories. We give an introduction to the elements of quantum field theory, to the construction of the basic Lagrangian for a general gauge theory, and proceed with the formulation of QCD and the electroweak Standard Model with electroweak symmetry breaking via the Higgs mechanism. The phenomenology of W and Z bosons is discussed and implications for the Higgs boson are derived from comparison with experimental precision data.

  4. Introducing constricted variational density functional theory in its relaxed self-consistent formulation (RSCF-CV-DFT) as an alternative to adiabatic time dependent density functional theory for studies of charge transfer transitions

    SciTech Connect (OSTI)

    Krykunov, Mykhaylo; Seth, Mike; Ziegler, Tom [Department of Chemistry, University of Calgary, University Drive 2500, Calgary, Alberta T2N 1N4 (Canada)] [Department of Chemistry, University of Calgary, University Drive 2500, Calgary, Alberta T2N 1N4 (Canada)

    2014-05-14T23:59:59.000Z

    We have applied the relaxed and self-consistent extension of constricted variational density functional theory (RSCF-CV-DFT) for the calculation of the lowest charge transfer transitions in the molecular complex X-TCNE between X = benzene and TCNE = tetracyanoethylene. Use was made of functionals with a fixed fraction (?) of Hartree-Fock exchange ranging from ? = 0 to ? = 0.5 as well as functionals with a long range correction (LC) that introduces Hartree-Fock exchange for longer inter-electronic distances. A detailed comparison and analysis is given for each functional between the performance of RSCF-CV-DFT and adiabatic time-dependent density functional theory (TDDFT) within the Tamm-Dancoff approximation. It is shown that in this particular case, all functionals afford the same reasonable agreement with experiment for RSCF-CV-DFT whereas only the LC-functionals afford a fair agreement with experiment using TDDFT. We have in addition calculated the CT transition energy for X-TCNE with X = toluene, o-xylene, and naphthalene employing the same functionals as for X = benzene. It is shown that the calculated charge transfer excitation energies are in as good agreement with experiment as those obtained from highly optimized LC-functionals using adiabatic TDDFT. We finally discuss the relation between the optimization of length separation parameters and orbital relaxation in the RSCF-CV-DFT scheme.

  5. 3D Quantum Gravity and Effective Noncommutative Quantum Field Theory

    SciTech Connect (OSTI)

    Freidel, Laurent; Livine, Etera R. [Perimeter Institute, 31 Caroline Street, North Waterloo, Ontario N2L 2Y5, Canada, and Laboratoire de Physique, ENS Lyon, CNRS UMR 5672, 46 Allee d'Italie, 69364 Lyon Cedex 07 (France)

    2006-06-09T23:59:59.000Z

    We show that the effective dynamics of matter fields coupled to 3D quantum gravity is described after integration over the gravitational degrees of freedom by a braided noncommutative quantum field theory symmetric under a {kappa} deformation of the Poincare group.

  6. Noncommutative Quantum Mechanics from Noncommutative Quantum Field Theory

    E-Print Network [OSTI]

    Pei-Ming Ho; Hsien-Chung Kao

    2001-10-26T23:59:59.000Z

    We derive noncommutative multi-particle quantum mechanics from noncommutative quantum field theory in the nonrelativistic limit. Paricles of opposite charges are found to have opposite noncommutativity. As a result, there is no noncommutative correction to the hydrogen atom spectrum at the tree level. We also comment on the obstacles to take noncommutative phenomenology seriously, and propose a way to construct noncommutative SU(5) grand unified theory.

  7. Topos theory and `neo-realist' quantum theory

    E-Print Network [OSTI]

    Andreas Doering

    2007-12-24T23:59:59.000Z

    Topos theory, a branch of category theory, has been proposed as mathematical basis for the formulation of physical theories. In this article, we give a brief introduction to this approach, emphasising the logical aspects. Each topos serves as a `mathematical universe' with an internal logic, which is used to assign truth-values to all propositions about a physical system. We show in detail how this works for (algebraic) quantum theory.

  8. Functional Integration for Quantum Field Theory

    E-Print Network [OSTI]

    J. LaChapelle

    2006-10-16T23:59:59.000Z

    The functional integration scheme for path integrals advanced by Cartier and DeWitt-Morette is extended to the case of fields. The extended scheme is then applied to quantum field theory. Several aspects of the construction are discussed.

  9. Quantum feedback control and classical control theory

    SciTech Connect (OSTI)

    Doherty, Andrew C. [Department of Physics, University of Auckland, Private Bag 92019, Auckland, (New Zealand)] [Department of Physics, University of Auckland, Private Bag 92019, Auckland, (New Zealand); Habib, Salman [Theoretical Division, T-8, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)] [Theoretical Division, T-8, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Jacobs, Kurt [Theoretical Division, T-8, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)] [Theoretical Division, T-8, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Mabuchi, Hideo [Norman Bridge Laboratory of Physics 12-33, California Institute of Technology, Pasadena, California 91125 (United States)] [Norman Bridge Laboratory of Physics 12-33, California Institute of Technology, Pasadena, California 91125 (United States); Tan, Sze M. [Department of Physics, University of Auckland, Private Bag 92019, Auckland, (New Zealand)] [Department of Physics, University of Auckland, Private Bag 92019, Auckland, (New Zealand)

    2000-07-01T23:59:59.000Z

    We introduce and discuss the problem of quantum feedback control in the context of established formulations of classical control theory, examining conceptual analogies and essential differences. We describe the application of state-observer-based control laws, familiar in classical control theory, to quantum systems and apply our methods to the particular case of switching the state of a particle in a double-well potential. (c) 2000 The American Physical Society.

  10. Quantum theory from one global symmetry

    E-Print Network [OSTI]

    Chris Fields

    2014-06-17T23:59:59.000Z

    It is shown that unitary quantum theory is not only consistent with but follows from decompositional equivalence: the principle that there is no preferred decomposition of the universe into systems, or alternatively, that there is no preferred quantum reference frame. Decompositional equivalence requires unitary quantum theory to be both observer- and scale-independent, requires time, "systems" and all classical information to be strictly observer-relative, and imposes an unavoidable free-energy cost on the acquisition of observational outcomes. This free energy cost of observation is characterized from first principles and shown to accord with known costs of information acquisition and storage by human observers.

  11. Algebraic conformal quantum field theory in perspective

    E-Print Network [OSTI]

    Karl-Henning Rehren

    2015-01-14T23:59:59.000Z

    Conformal quantum field theory is reviewed in the perspective of Axiomatic, notably Algebraic QFT. This theory is particularly developped in two spacetime dimensions, where many rigorous constructions are possible, as well as some complete classifications. The structural insights, analytical methods and constructive tools are expected to be useful also for four-dimensional QFT.

  12. General Covariance in Algebraic Quantum Field Theory

    E-Print Network [OSTI]

    Romeo Brunetti; Martin Porrmann; Giuseppe Ruzzi

    2005-12-17T23:59:59.000Z

    In this review we report on how the problem of general covariance is treated within the algebraic approach to quantum field theory by use of concepts from category theory. Some new results on net cohomology and superselection structure attained in this framework are included.

  13. Some convolution products in Quantum Field Theory

    E-Print Network [OSTI]

    Herintsitohaina Ratsimbarison

    2006-12-05T23:59:59.000Z

    This paper aims to show constructions of scale dependence and interaction on some probabilistic models which may be revelant for renormalization theory in Quantum Field Theory. We begin with a review of the convolution product's use in the Kreimer-Connes formalism of perturbative renormalization. We show that the Wilson effective action can be obtained from a convolution product propriety of regularized Gaussian measures on the space of fields. Then, we propose a natural C*-algebraic framework for scale dependent field theories which may enhance the conceptual approach to renormalization theory. In the same spirit, we introduce a probabilistic construction of interacting theories for simple models and apply it for quantum field theory by defining a partition function in this setting.

  14. Noncommutative Deformations of Wightman Quantum Field Theories

    E-Print Network [OSTI]

    Harald Grosse; Gandalf Lechner

    2008-08-26T23:59:59.000Z

    Quantum field theories on noncommutative Minkowski space are studied in a model-independent setting by treating the noncommutativity as a deformation of quantum field theories on commutative space. Starting from an arbitrary Wightman theory, we consider special vacuum representations of its Weyl-Wigner deformed counterpart. In such representations, the effect of the noncommutativity on the basic structures of Wightman theory, in particular the covariance, locality and regularity properties of the fields, the structure of the Wightman functions, and the commutative limit, is analyzed. Despite the nonlocal structure introduced by the noncommutativity, the deformed quantum fields can still be localized in certain wedge-shaped regions, and may therefore be used to compute noncommutative corrections to two-particle S-matrix elements.

  15. Quantum Field Theory on Noncommutative Spaces

    E-Print Network [OSTI]

    Richard J. Szabo

    2003-01-23T23:59:59.000Z

    A pedagogical and self-contained introduction to noncommutative quantum field theory is presented, with emphasis on those properties that are intimately tied to string theory and gravity. Topics covered include the Weyl-Wigner correspondence, noncommutative Feynman diagrams, UV/IR mixing, noncommutative Yang-Mills theory on infinite space and on the torus, Morita equivalences of noncommutative gauge theories, twisted reduced models, and an in-depth study of the gauge group of noncommutative Yang-Mills theory. Some of the more mathematical ideas and techniques of noncommutative geometry are also briefly explained.

  16. Formalism Locality in Quantum Theory and Quantum Gravity

    E-Print Network [OSTI]

    Lucien Hardy

    2008-04-01T23:59:59.000Z

    We expect a theory of Quantum Gravity to be both probabilistic and have indefinite causal structure. Indefinite causal structure poses particular problems for theory formulation since many of the core ideas used in the usual approaches to theory construction depend on having definite causal structure. For example, the notion of a state across space evolving in time requires that we have some definite causal structure so we can define a state on a space-like hypersurface. We will see that many of these problems are mitigated if we are able to formulate the theory in a "formalism local" (or F-local) fashion. A formulation of a physical theory is said to be F-local if, in making predictions for any given arbitrary space-time region, we need only refer to mathematical objects pertaining to that region. This is a desirable property both on the grounds of efficiency and since, if we have indefinite causal structure, it is not clear how to select some other space-time region on which our calculations may depend. The usual ways of formulating physical theories (the time evolving state picture, the histories approach, and the local equations approach) are not F-local. We set up a framework for probabilistic theories with indefinite causal structure. This, the causaloid framework, is F-local. We describe how Quantum Theory can be formulated in the causaloid framework (in an F-local fashion). This provides yet another formulation of Quantum Theory. This formulation, however, may be particularly relevant to the problem of finding a theory of Quantum Gravity.

  17. Generalized Probability Theories: What determines the structure of quantum theory?

    E-Print Network [OSTI]

    Peter Janotta; Haye Hinrichsen

    2014-08-13T23:59:59.000Z

    The framework of generalized probabilistic theories is a powerful tool for studying the foundations of quantum physics. It provides the basis for a variety of recent findings that significantly improve our understanding of the rich physical structure of quantum theory. This review paper tries to present the framework and recent results to a broader readership in an accessible manner. To achieve this, we follow a constructive approach. Starting from few basic physically motivated assumptions we show how a given set of observations can be manifested in an operational theory. Furthermore, we characterize consistency conditions limiting the range of possible extensions. In this framework classical and quantum theory appear as special cases, and the aim is to understand what distinguishes quantum mechanics as the fundamental theory realized in nature. It turns out non-classical features of single systems can equivalently result from higher dimensional classical theories that have been restricted. Entanglement and non-locality, however, are shown to be genuine non-classical features.

  18. Quantum simulation of quantum field theory using continuous variables

    E-Print Network [OSTI]

    Kevin Marshall; Raphael Pooser; George Siopsis; Christian Weedbrook

    2015-03-27T23:59:59.000Z

    Much progress has been made in the field of quantum computing using continuous variables over the last couple of years. This includes the generation of extremely large entangled cluster states (10,000 modes, in fact) as well as a fault tolerant architecture. This has led to the point that continuous-variable quantum computing can indeed be thought of as a viable alternative for universal quantum computing. With that in mind, we present a new algorithm for continuous-variable quantum computers which gives an exponential speedup over the best known classical methods. Specifically, this relates to efficiently calculating the scattering amplitudes in scalar bosonic quantum field theory, a problem that is believed to be hard using a classical computer. Building on this, we give an experimental implementation based on cluster states that is feasible with today's technology.

  19. Undergraduate Lecture Notes in Topological Quantum Field Theory

    E-Print Network [OSTI]

    Vladimir G. Ivancevic; Tijana T. Ivancevic

    2008-12-11T23:59:59.000Z

    These third-year lecture notes are designed for a 1-semester course in topological quantum field theory (TQFT). Assumed background in mathematics and physics are only standard second-year subjects: multivariable calculus, introduction to quantum mechanics and basic electromagnetism. Keywords: quantum mechanics/field theory, path integral, Hodge decomposition, Chern-Simons and Yang-Mills gauge theories, conformal field theory

  20. On strategy of relativistic quantum theory construction

    E-Print Network [OSTI]

    Yuri A. Rylov

    2006-01-16T23:59:59.000Z

    Two different strategies of the relativistic quantum theory construction are considered and evaluated. The first strategy is the conventional strategy, based on application of the quantum mechanics technique to relativistic systems. This approach cannot solve the problem of pair production. The apparent success of QFT at solution of this problem is conditioned by the inconsistency of QFT, when the commutation relations are incompatible with the dynamic equations. (The inconsistent theory "can solve" practically any problem, including the problem of pair production). The second strategy is based on application of fundamental principles of classical dynamics and those of statistical description to relativistic dynamic systems. It seems to be more reliable, because this strategy does not use quantum principles, and the main problem of QFT (join of nonrelativistic quantum principles with the principles of relativity) appears to be eliminated.

  1. Risk, ambiguity and quantum decision theory

    E-Print Network [OSTI]

    Riccardo Franco

    2007-11-06T23:59:59.000Z

    In the present article we use the quantum formalism to describe the effects of risk and ambiguity in decision theory. The main idea is that the probabilities in the classic theory of expected utility are estimated probabilities, and thus do not follow the classic laws of probability theory. In particular, we show that it is possible to use consistently the classic expected utility formula, where the probability associated to the events are computed with the equation of quantum interference. Thus we show that the correct utility of a lottery can be simply computed by adding to the classic expected utility a new corrective term, the uncertainty utility, directly connected with the quantum interference term.

  2. A Kinetic Theory Approach to Quantum Gravity

    E-Print Network [OSTI]

    B. L. Hu

    2002-04-22T23:59:59.000Z

    We describe a kinetic theory approach to quantum gravity -- by which we mean a theory of the microscopic structure of spacetime, not a theory obtained by quantizing general relativity. A figurative conception of this program is like building a ladder with two knotted poles: quantum matter field on the right and spacetime on the left. Each rung connecting the corresponding knots represent a distinct level of structure. The lowest rung is hydrodynamics and general relativity; the next rung is semiclassical gravity, with the expectation value of quantum fields acting as source in the semiclassical Einstein equation. We recall how ideas from the statistical mechanics of interacting quantum fields helped us identify the existence of noise in the matter field and its effect on metric fluctuations, leading to the establishment of the third rung: stochastic gravity, described by the Einstein-Langevin equation. Our pathway from stochastic to quantum gravity is via the correlation hierarchy of noise and induced metric fluctuations. Three essential tasks beckon: 1) Deduce the correlations of metric fluctuations from correlation noise in the matter field; 2) Reconstituting quantum coherence -- this is the reverse of decoherence -- from these correlation functions 3) Use the Boltzmann-Langevin equations to identify distinct collective variables depicting recognizable metastable structures in the kinetic and hydrodynamic regimes of quantum matter fields and how they demand of their corresponding spacetime counterparts. This will give us a hierarchy of generalized stochastic equations -- call them the Boltzmann-Einstein hierarchy of quantum gravity -- for each level of spacetime structure, from the macroscopic (general relativity) through the mesoscopic (stochastic gravity) to the microscopic (quantum gravity).

  3. Wavelet-Based Quantum Field Theory

    E-Print Network [OSTI]

    Mikhail V. Altaisky

    2007-11-11T23:59:59.000Z

    The Euclidean quantum field theory for the fields $\\phi_{\\Delta x}(x)$, which depend on both the position $x$ and the resolution $\\Delta x$, constructed in SIGMA 2 (2006), 046, hep-th/0604170, on the base of the continuous wavelet transform, is considered. The Feynman diagrams in such a theory become finite under the assumption there should be no scales in internal lines smaller than the minimal of scales of external lines. This regularisation agrees with the existing calculations of radiative corrections to the electron magnetic moment. The transition from the newly constructed theory to a standard Euclidean field theory is achieved by integration over the scale arguments.

  4. Remarks on twisted noncommutative quantum field theory

    SciTech Connect (OSTI)

    Zahn, Jochen [II. Institut fuer Theoretische Physik, Universitaet Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany)

    2006-05-15T23:59:59.000Z

    We review recent results on twisted noncommutative quantum field theory by embedding it into a general framework for the quantization of systems with a twisted symmetry. We discuss commutation relations in this setting and show that the twisted structure is so rigid that it is hard to derive any predictions, unless one gives up general principles of quantum theory. It is also shown that the twisted structure is not responsible for the presence or absence of UV/IR-mixing, as claimed in the literature.

  5. Reasonable fermionic quantum information theories require relativity

    E-Print Network [OSTI]

    Nicolai Friis

    2015-02-16T23:59:59.000Z

    We show that any abstract quantum information theory based on anticommuting operators must be supplemented by a superselection rule deeply rooted in relativity. While quantum information may be encoded in the Fock space generated by such operators, the unrestricted fermionic theory has a peculiar feature: Pairs of bipartition marginals of pure states need not have identical spectra. This leads to an ambiguous definition of the entropy of entanglement. We prove that this problem is removed by a superselection rule that arises from Lorentz invariance and no-signalling.

  6. Quantum Field Theory Mark Srednicki

    E-Print Network [OSTI]

    Akhmedov, Azer

    The Spin-Statistics Theorem (3) 45 5 The LSZ Reduction Formula (3) 49 6 Path Integrals in Quantum Mechanics Quantization of Spinor Fields II (38) 246 40 Parity, Time Reversal, and Charge Conjugation (23, 39) 254 #12, 59) 369 #12;6 63 The Vertex Function in Spinor Electrodynamics (62) 378 64 The Magnetic Moment

  7. Deformation Quantization: From Quantum Mechanics to Quantum Field Theory

    E-Print Network [OSTI]

    P. Tillman

    2006-10-31T23:59:59.000Z

    The aim of this paper is to give a basic overview of Deformation Quantization (DQ) to physicists. A summary is given here of some of the key developments over the past thirty years in the context of physics, from quantum mechanics to quantum field theory. Also, we discuss some of the conceptual advantages of DQ and how DQ may be related to algebraic quantum field theory. Additionally, our previous results are summarized which includes the construction of the Fedosov star-product on dS/AdS. One of the goals of these results was to verify that DQ gave the same results as previous analyses of these spaces. Another was to verify that the formal series used in the conventional treatment converged by obtaining exact and nonperturbative results for these spaces.

  8. Physics 221B: Solution to HW # 8 Quantum Field Theory

    E-Print Network [OSTI]

    Murayama, Hitoshi

    Physics 221B: Solution to HW # 8 Quantum Field Theory 1) Bosonic Grand-Partition Function The solution to this problem is outlined clearly in the beginning of the lecture notes `Quantum Field Theory II

  9. Mossbauer neutrinos in quantum mechanics and quantum field theory

    E-Print Network [OSTI]

    Kopp, Joachim

    2009-01-01T23:59:59.000Z

    We demonstrate the correspondence between quantum mechanical and quantum field theoretical descriptions of Mossbauer neutrino oscillations. First, we compute the combined rate $\\Gamma$ of Mossbauer neutrino emission, propagation, and detection in quantum field theory, treating the neutrino as an internal line of a tree level Feynman diagram. We include explicitly the effect of homogeneous line broadening due to fluctuating electromagnetic fields in the source and detector crystals and show that the resulting formula for $\\Gamma$ is identical to the one obtained previously (Akhmedov et al., arXiv:0802.2513) for the case of inhomogeneous line broadening. We then proceed to a quantum mechanical treatment of Mossbauer neutrinos and show that the oscillation, coherence and resonance terms from the field theoretical result can be reproduced if the neutrino is described as a superposition of Lorentz-shaped wave packet with appropriately chosen energies and widths. On the other hand, the emission rate and the detecti...

  10. Mathematical definition of quantum field theory on a manifold

    E-Print Network [OSTI]

    A. V. Stoyanovsky

    2009-11-21T23:59:59.000Z

    We give a mathematical definition of quantum field theory on a manifold, and definition of quantization of a classical field theory given by a variational principle.

  11. The Operator Tensor Formulation of Quantum Theory

    E-Print Network [OSTI]

    Lucien Hardy

    2012-01-20T23:59:59.000Z

    A typical quantum experiment has a bunch of apparatuses placed so that quantum systems can pass between them. We regard each use of an apparatus, along with some given outcome on the apparatus (a certain detector click or a certain meter reading for example), as an operation. An operation can have zero or more quantum systems inputted into it and zero or more quantum systems outputted from it. We can wire together operations to form circuits. In the standard framework of quantum theory we must foliate the circuit then calculate the probability by evolving a state through it. This approach has three problems. First, we must introduce an arbitrary foliation of the circuit (such foliations are not unique). Second, we have to pad our expressions with identities every time two or more foliation hypersurfaces intersect a given wire. And third, we treat operations corresponding to preparations, transformations, and results in different ways. In this paper we present the operator tensor formulation of quantum theory which solves all these problems. Corresponding to every operation is an operator tensor. The probability for a circuit is given by simply replacing the operations in the circuit with the corresponding operator tensors. Wires between operator tensors correspond to multiplying the tensors in the associated subspace and then taking the partial trace over that subspace. Operator tensors must be physical (namely, they must have positive input transpose and satisfy a certain normalization condition).

  12. Quantum field theory of relic nonequilibrium systems

    E-Print Network [OSTI]

    Nicolas G. Underwood; Antony Valentini

    2014-11-14T23:59:59.000Z

    In terms of the de Broglie-Bohm pilot-wave formulation of quantum theory, we develop field-theoretical models of quantum nonequilibrium systems which could exist today as relics from the very early universe. We consider relic excited states generated by inflaton decay, as well as relic vacuum modes, for particle species that decoupled close to the Planck temperature. Simple estimates suggest that, at least in principle, quantum nonequilibrium could survive to the present day for some relic systems. The main focus of this paper is to describe the behaviour of such systems in terms of field theory, with the aim of understanding how relic quantum nonequilibrium might manifest experimentally. We show by explicit calculation that simple perturbative couplings will transfer quantum nonequilibrium from one field to another (for example from the inflaton field to its decay products). We also show that fields in a state of quantum nonequilibrium will generate anomalous spectra for standard energy measurements. Possible connections to current astrophysical observations are briefly addressed.

  13. Functorial Quantum Field Theory in the Riemannian setting

    E-Print Network [OSTI]

    Santosh Kandel

    2015-02-25T23:59:59.000Z

    We construct examples of Functorial Quantum Field Theories in the Riemannian setting by quantizing free massive bosons.

  14. Quantum Field Theory & Gravity

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What's Possible forPortsmouth/Paducah47,193.70COMMUNITY AEROSOL:Quantum Condensed Matter

  15. Noncommutative Time in Quantum Field Theory

    E-Print Network [OSTI]

    Tapio Salminen; Anca Tureanu

    2011-07-19T23:59:59.000Z

    We analyze, starting from first principles, the quantization of field theories, in order to find out to which problems a noncommutative time would possibly lead. We examine the problem in the interaction picture (Tomonaga-Schwinger equation), the Heisenberg picture (Yang-Feldman-K\\"all\\'{e}n equation) and the path integral approach. They all indicate inconsistency when time is taken as a noncommutative coordinate. The causality issue appears as the key aspect, while the unitarity problem is subsidiary. These results are consistent with string theory, which does not admit a time-space noncommutative quantum field theory as its low-energy limit, with the exception of light-like noncommutativity.

  16. Natural Philosophy and Quantum Theory

    E-Print Network [OSTI]

    Thomas Marlow

    2006-10-25T23:59:59.000Z

    We attempt to show how relationalism might help in understanding Bell's theorem. We also present an analogy with Darwinian evolution in order to pedagogically hint at how one might go about using a theory in which one does not even desire to explain correlations by invoking common causes.

  17. Some differences between Dirac's hole theory and quantum field theory

    E-Print Network [OSTI]

    Dan Solomon

    2005-06-30T23:59:59.000Z

    Diracs hole theory (HT) and quantum field theory (QFT) are generally considered to be equivalent to each other. However, it has been recently shown by several researchers that this is not necessarily the case. When the change in the vacuum energy was calculated for a time independent perturbation HT and QFT yielded different results. In this paper we extend this discussion to include a time dependent perturbation for which the exact solution to the Dirac equation is known. It will be shown that for this case, also, HT and QFT yield different results. In addition, there will be some discussion of the problem of anomalies in QFT.

  18. Mossbauer neutrinos in quantum mechanics and quantum field theory

    E-Print Network [OSTI]

    Joachim Kopp

    2009-06-12T23:59:59.000Z

    We demonstrate the correspondence between quantum mechanical and quantum field theoretical descriptions of Mossbauer neutrino oscillations. First, we compute the combined rate $\\Gamma$ of Mossbauer neutrino emission, propagation, and detection in quantum field theory, treating the neutrino as an internal line of a tree level Feynman diagram. We include explicitly the effect of homogeneous line broadening due to fluctuating electromagnetic fields in the source and detector crystals and show that the resulting formula for $\\Gamma$ is identical to the one obtained previously (Akhmedov et al., arXiv:0802.2513) for the case of inhomogeneous line broadening. We then proceed to a quantum mechanical treatment of Mossbauer neutrinos and show that the oscillation, coherence, and resonance terms from the field theoretical result can be reproduced if the neutrino is described as a superposition of Lorentz-shaped wave packet with appropriately chosen energies and widths. On the other hand, the emission rate and the detection cross section, including localization and Lamb-Mossbauer terms, cannot be predicted in quantum mechanics and have to be put in by hand.

  19. From Entropic Dynamics to Quantum Theory

    SciTech Connect (OSTI)

    Caticha, Ariel [Department of Physics, University at Albany-SUNY, Albany, NY 12222 (United States)

    2009-12-08T23:59:59.000Z

    Non-relativistic quantum theory is derived from information codified into an appropriate statistical model. The basic assumption is that there is an irreducible uncertainty in the location of particles so that the configuration space is a statistical manifold. The dynamics then follows from a principle of inference, the method of Maximum Entropy. The concept of time is introduced as a convenient way to keep track of change. The resulting theory resembles both Nelson's stochastic mechanics and general relativity. The statistical manifold is a dynamical entity: its geometry determines the evolution of the probability distribution which, in its turn, reacts back and determines the evolution of the geometry. There is a new quantum version of the equivalence principle: 'osmotic' mass equals inertial mass. Mass and the phase of the wave function are explained as features of purely statistical origin.

  20. Causality and chance in relativistic quantum field theories

    E-Print Network [OSTI]

    Richard Healey

    2014-05-13T23:59:59.000Z

    Bell appealed to the theory of relativity in formulating his principle of local causality. But he maintained that quantum field theories do not conform to that principle, even when their field equations are relativistically covariant and their observable algebras satisfy a relativistically motivated microcausality condition. A pragmatist view of quantum theory and an interventionist approach to causation prompt the reevaluation of local causality and microcausality. Local causality cannot be understood as a reasonable requirement on relativistic quantum field theories: it is unmotivated even if applicable to them. But microcausality emerges as a sufficient condition for the consistent application of a relativistic quantum field theory.

  1. Quantum Jet Theory I: Free fields

    E-Print Network [OSTI]

    T. A. Larsson

    2007-01-18T23:59:59.000Z

    QJT (Quantum Jet Theory) is the quantum theory of jets, which can be canonically identified with truncated Taylor series. Ultralocality requires a novel quantization scheme, where dynamics is treated as a constraint in the history phase space. QJT differs from QFT since it involves a new datum: the expansion point. This difference is substantial because it leads to new gauge and diff anomalies, which are necessary to combine background independence with locality. Physically, the new ingredient is that the observer's trajectory is explicitly introduced and quantized together with the fields. In this paper the harmonic oscillator and free fields are treated within QJT, correcting previous flaws. The standard Hilbert space is recovered for the harmonic oscillator, but there are interesting modifications already for the free scalar field, due to quantization of the observer's trajectory. Only free fields are treated in detail, but the complications when interactions are introduced are briefly discussed. We also explain why QJT is necessary to resolve the conceptual problems of quantum gravity.

  2. Scattering Theory for Open Quantum Systems

    E-Print Network [OSTI]

    J. Behrndt; M. M. Malamud; H. Neidhardt

    2006-10-31T23:59:59.000Z

    Quantum systems which interact with their environment are often modeled by maximal dissipative operators or so-called Pseudo-Hamiltonians. In this paper the scattering theory for such open systems is considered. First it is assumed that a single maximal dissipative operator $A_D$ in a Hilbert space $\\sH$ is used to describe an open quantum system. In this case the minimal self-adjoint dilation $\\widetilde K$ of $A_D$ can be regarded as the Hamiltonian of a closed system which contains the open system $\\{A_D,\\sH\\}$, but since $\\widetilde K$ is necessarily not semibounded from below, this model is difficult to interpret from a physical point of view. In the second part of the paper an open quantum system is modeled with a family $\\{A(\\mu)\\}$ of maximal dissipative operators depending on energy $\\mu$, and it is shown that the open system can be embedded into a closed system where the Hamiltonian is semibounded. Surprisingly it turns out that the corresponding scattering matrix can be completely recovered from scattering matrices of single Pseudo-Hamiltonians as in the first part of the paper. The general results are applied to a class of Sturm-Liouville operators arising in dissipative and quantum transmitting Schr\\"{o}dinger-Poisson systems.

  3. Radiation reaction in quantum field theory

    E-Print Network [OSTI]

    Atsushi Higuchi

    2004-03-30T23:59:59.000Z

    We investigate radiation-reaction effects for a charged scalar particle accelerated by an external potential realized as a space-dependent mass term in quantum electrodynamics. In particular, we calculate the position shift of the final-state wave packet of the charged particle due to radiation at lowest order in the fine structure constant alpha and in the small h-bar approximation. We show that it disagrees with the result obtained using the Lorentz-Dirac formula for the radiation-reaction force, and that it agrees with the classical theory if one assumes that the particle loses its energy to radiation at each moment of time according to the Larmor formula in the static frame of the potential. However, the discrepancy is much smaller than the Compton wavelength of the particle. We also point out that the electromagnetic correction to the potential has no classical limit. (Correction. Surface terms were erroneously discarded to arrive at Eq. (59). By correcting this error we find that the position shift according to the Lorentz-Dirac theory obtained from Eq. (12) is reproduced by quantum field theory in the hbar -> 0 limit. We also find that the small V(z) approximation is unnecessary for this agreement. See Sec. VII.)

  4. Aspects of locally covariant quantum field theory

    E-Print Network [OSTI]

    Ko Sanders

    2008-09-28T23:59:59.000Z

    This thesis considers various aspects of locally covariant quantum field theory (LCQFT; see Brunetti et al., Commun.Math.Phys. 237 (2003), 31-68), a mathematical framework to describe axiomatic quantum field theories in curved spacetimes. New results include: a philosophical interpretation of certain aspects of this framework in terms of modal logic; a proof that the truncated n-point functions of any Hadamard state of the free real scalar field are smooth, except for n=2; a description of he free Dirac field in a representation independent way, showing that the theory is determined entirely by the relations between the adjoint map, the charge conjugation map and the Dirac operator; a proof that the relative Cauchy evolution of the free Dirac field is related to its stress-energy-momentum tensor in the same way as for the free real scalar field (cf. loc.cit.); several results on the Reeh-Schlieder property in LCQFT, including but not limited to those of our earlier paper; a new and elegant approach to wave front sets of Banach space-valued distributions, which allows easy proofs and extensions of results in the literature.

  5. Algebraic quantum field theory in curved spacetimes

    E-Print Network [OSTI]

    Christopher J. Fewster; Rainer Verch

    2015-04-02T23:59:59.000Z

    This article sets out the framework of algebraic quantum field theory in curved spacetimes, based on the idea of local covariance. In this framework, a quantum field theory is modelled by a functor from a category of spacetimes to a category of ($C^*$)-algebras obeying supplementary conditions. Among other things: (a) the key idea of relative Cauchy evolution is described in detail, and related to the stress-energy tensor; (b) a systematic "rigidity argument" is used to generalise results from flat to curved spacetimes; (c) a detailed discussion of the issue of selection of physical states is given, linking notions of stability at microscopic, mesoscopic and macroscopic scales; (d) the notion of subtheories and global gauge transformations are formalised; (e) it is shown that the general framework excludes the possibility of there being a single preferred state in each spacetime, if the choice of states is local and covariant. Many of the ideas are illustrated by the example of the free Klein-Gordon theory, which is given a new "universal definition".

  6. Analogy between turbulence and quantum gravity: beyond Kolmogorov's 1941 theory

    E-Print Network [OSTI]

    S. Succi

    2011-11-14T23:59:59.000Z

    Simple arguments based on the general properties of quantum fluctuations have been recently shown to imply that quantum fluctuations of spacetime obey the same scaling laws of the velocity fluctuations in a homogeneous incompressible turbulent flow, as described by Kolmogorov 1941 (K41) scaling theory. Less noted, however, is the fact that this analogy rules out the possibility of a fractal quantum spacetime, in contradiction with growing evidence in quantum gravity research. In this Note, we show that the notion of a fractal quantum spacetime can be restored by extending the analogy between turbulence and quantum gravity beyond the realm of K41 theory. In particular, it is shown that compatibility of a fractal quantum-space time with the recent Horava-Lifshitz scenario for quantum gravity, implies singular quantum wavefunctions. Finally, we propose an operational procedure, based on Extended Self-Similarity techniques, to inspect the (multi)-scaling properties of quantum gravitational fluctuations.

  7. Open quantum systems and Random Matrix Theory

    E-Print Network [OSTI]

    Declan Mulhall

    2015-01-09T23:59:59.000Z

    A simple model for open quantum systems is analyzed with Random Matrix Theory. The system is coupled to the continuum in a minimal way. In this paper we see the effect of opening the system on the level statistics, in particular the $\\Delta_3(L)$ statistic, width distribution and level spacing are examined as a function of the strength of this coupling. A super-radiant transition is observed, and it is seen that as it is formed, the level spacing and $\\Delta_3(L)$ statistic exhibit the signatures of missed levels.

  8. The effective field theory treatment of quantum gravity

    SciTech Connect (OSTI)

    Donoghue, John F. [Department of Physics, University of Massachusetts, Amherst, MA 01003 (United States)

    2012-09-24T23:59:59.000Z

    This is a pedagogical introduction to the treatment of quantum general relativity as an effective field theory. It starts with an overview of the methods of effective field theory and includes an explicit example. Quantum general relativity matches this framework and I discuss gravitational examples as well as the limits of the effective field theory. I also discuss the insights from effective field theory on the gravitational effects on running couplings in the perturbative regime.

  9. Rigorous Definition of Quantum Field Operators in Noncommutative Quantum Field Theory

    E-Print Network [OSTI]

    M. N. Mnatsakanova; Yu. S. Vernov

    2010-02-07T23:59:59.000Z

    The space, on which quantum field operators are given, is constructed in any theory, in which the usual product between test functions is substituted by the $\\star$-product (the Moyal-type product). The important example of such a theory is noncommutative quantum field theory (NC QFT). This construction is the key point in the derivation of the Wightman reconstruction theorem.

  10. Nonlinear quantum equations: Classical field theory

    SciTech Connect (OSTI)

    Rego-Monteiro, M. A.; Nobre, F. D. [Centro Brasileiro de Pesquisas Físicas and National Institute of Science and Technology for Complex Systems, Rua Xavier Sigaud 150, 22290-180 Rio de Janeiro - RJ (Brazil)] [Centro Brasileiro de Pesquisas Físicas and National Institute of Science and Technology for Complex Systems, Rua Xavier Sigaud 150, 22290-180 Rio de Janeiro - RJ (Brazil)

    2013-10-15T23:59:59.000Z

    An exact classical field theory for nonlinear quantum equations is presented herein. It has been applied recently to a nonlinear Schrödinger equation, and it is shown herein to hold also for a nonlinear generalization of the Klein-Gordon equation. These generalizations were carried by introducing nonlinear terms, characterized by exponents depending on an index q, in such a way that the standard, linear equations, are recovered in the limit q? 1. The main characteristic of this field theory consists on the fact that besides the usual ?(x(vector sign),t), a new field ?(x(vector sign),t) needs to be introduced in the Lagrangian, as well. The field ?(x(vector sign),t), which is defined by means of an additional equation, becomes ?{sup *}(x(vector sign),t) only when q? 1. The solutions for the fields ?(x(vector sign),t) and ?(x(vector sign),t) are found herein, being expressed in terms of a q-plane wave; moreover, both field equations lead to the relation E{sup 2}=p{sup 2}c{sup 2}+m{sup 2}c{sup 4}, for all values of q. The fact that such a classical field theory works well for two very distinct nonlinear quantum equations, namely, the Schrödinger and Klein-Gordon ones, suggests that this procedure should be appropriate for a wider class nonlinear equations. It is shown that the standard global gauge invariance is broken as a consequence of the nonlinearity.

  11. Quantum theory of tensionless noncommutative p-branes

    SciTech Connect (OSTI)

    Gamboa, J. [Departamento de Fisica, Universidad de Santiago de Chile, Casilla 307, Santiago 2 (Chile); Loewe, M. [Facultad de Fisica, Pontificia Universidad Catolica de Chile, Casilla 306, Santiago 22 (Chile); Mendez, F. [INFN, Laboratorio Nazionali del Gran Sasso, SS, 17bis, 67010 Asergi, L'Aquila (Italy)

    2004-11-15T23:59:59.000Z

    The quantum theory involving noncommutative tensionless p-branes is studied following path integral methods. Our procedure allows a simple treatment for generally covariant noncommutative extended systems and it contains, as a particular case, the thermodynamics and the quantum tensionless string theory. The effect induced by noncommutativity in the field space is to produce a confinement among pairing of null p-branes.

  12. Quantum theory and the role of mind in nature

    E-Print Network [OSTI]

    Henry P. Stapp

    2001-03-09T23:59:59.000Z

    Orthodox Copenhagen quantum theory renounces the quest to understand the reality in which we are imbedded, and settles for practical rules describing connections between our observations. Many physicist have regarded this renunciation of our effort to describe nature herself as premature, and John von Neumann reformulated quantum theory as a theory of an evolving objective universe interacting with human consciousness. This interaction is associated both in Copenhagen quantum theory and in von Neumann quantum theory with a sudden change that brings the objective physical state of a system in line with a subjectively felt psychical reality. The objective physical state is thereby converted from a material substrate to an informational and dispositional substrate that carries both the information incorporated into it by the psychical realities, and certain dispositions for the occurrence of future psychical realities. The present work examines and proposes solutions to two problems that have appeared to block the development of this conception of nature. The first problem is how to reconcile this theory with the principles of relativistic quantum field theory; the second problem is to understand whether, strictly within quantum theory, a person's mind can affect the activities of his brain, and if so how. Solving the first problem involves resolving a certain nonlocality question. The proposed solution to the second problem is based on a postulated connection between effort, attention, and the quantum Zeno effect. This solution explains on the basis of quantum physics a large amount of heretofore unexplained data amassed by psychologists.

  13. Nonlocal Quantization Principle in Quantum Field Theory and Quantum Gravity

    E-Print Network [OSTI]

    Martin Kober

    2014-10-21T23:59:59.000Z

    In this paper a nonlocal generalization of field quantization is suggested. This quantization principle presupposes the assumption that the commutator between a field operator an the operator of the canonical conjugated variable referring to other space-time points does not vanish as it is postulated in the usual setting of quantum field theory. Based on this presupposition the corresponding expressions for the field operators, the eigenstates and the path integral formula are determined. The nonlocal quantization principle also leads to a generalized propagator. If the dependence of the commutator between operators on different space-time points on the distance of these points is assumed to be described by a Gaussian function, one obtains that the propagator is damped by an exponential. This leads to a disappearance of UV divergences. The transfer of the nonlocal quantization principle to canonical quantum gravity is considered as well. In this case the commutator has to be assumed to depend also on the gravitational field, since the distance between two points depends on the metric field.

  14. An additive Hamiltonian plus Landauer's Principle yields quantum theory

    E-Print Network [OSTI]

    Chris Fields

    2015-03-27T23:59:59.000Z

    It is shown that no-signalling, a quantum of action, unitarity, detailed balance, Bell's theorem, the Hilbert-space representation of physical states and the Born rule all follow from the assumption of an additive Hamiltonian together with Landauer's principle. Common statements of the "classical limit" of quantum theory, as well as common assumptions made by "interpretations" of quantum theory, contradict additivity, Landauer's principle, or both.

  15. Development of multicomponent hybrid density functional theory with polarizable continuum model for the analysis of nuclear quantum effect and solvent effect on NMR chemical shift

    SciTech Connect (OSTI)

    Kanematsu, Yusuke; Tachikawa, Masanori [Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027 (Japan)] [Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027 (Japan)

    2014-04-28T23:59:59.000Z

    We have developed the multicomponent hybrid density functional theory [MC-(HF+DFT)] method with polarizable continuum model (PCM) for the analysis of molecular properties including both nuclear quantum effect and solvent effect. The chemical shifts and H/D isotope shifts of the picolinic acid N-oxide (PANO) molecule in chloroform and acetonitrile solvents are applied by B3LYP electron exchange-correlation functional for our MC-(HF+DFT) method with PCM (MC-B3LYP/PCM). Our MC-B3LYP/PCM results for PANO are in reasonable agreement with the corresponding experimental chemical shifts and isotope shifts. We further investigated the applicability of our method for acetylacetone in several solvents.

  16. MiniDFT

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC)Integrated Codes |IsLove Your1 SECTION A. Revised:7,A Search for muonMiniDFT MiniDFT

  17. Dynamical Wave Function Collapse Models in Quantum Measure Theory

    E-Print Network [OSTI]

    Fay Dowker; Yousef Ghazi-Tabatabai

    2008-05-15T23:59:59.000Z

    The structure of Collapse Models is investigated in the framework of Quantum Measure Theory, a histories-based approach to quantum mechanics. The underlying structure of coupled classical and quantum systems is elucidated in this approach which puts both systems on a spacetime footing. The nature of the coupling is exposed: the classical histories have no dynamics of their own but are simply tied, more or less closely, to the quantum histories.

  18. Quasi-probability representations of quantum theory with applications to quantum information science

    E-Print Network [OSTI]

    Christopher Ferrie

    2011-10-15T23:59:59.000Z

    This article comprises a review of both the quasi-probability representations of infinite-dimensional quantum theory (including the Wigner function) and the more recently defined quasi-probability representations of finite-dimensional quantum theory. We focus on both the characteristics and applications of these representations with an emphasis toward quantum information theory. We discuss the recently proposed unification of the set of possible quasi-probability representations via frame theory and then discuss the practical relevance of negativity in such representations as a criteria for quantumness.

  19. Quantum Mind from a Classical Field Theory of the Brain

    E-Print Network [OSTI]

    Paola Zizzi

    2011-04-13T23:59:59.000Z

    We suggest that, with regard to a theory of quantum mind, brain processes can be described by a classical, dissipative, non-abelian gauge theory. In fact, such a theory has a hidden quantum nature due to its non-abelian character, which is revealed through dissipation, when the theory reduces to a quantum vacuum, where temperatures are of the order of absolute zero, and coherence of quantum states is preserved. We consider in particular the case of pure SU(2) gauge theory with a special anzatz for the gauge field, which breaks Lorentz invariance. In the ansatz, a contraction mapping plays the role of dissipation. In the limit of maximal dissipation, which corresponds to the attractive fixed point of the contraction mapping, the gauge fields reduce, up to constant factors, to the Pauli quantum gates for one-qubit states. Then tubuline-qubits can be processed in the quantum vacuum of the classical field theory of the brain, where decoherence is avoided due to the extremely low temperature. Finally, we interpret the classical SU(2) dissipative gauge theory as the quantum metalanguage (relative to the quantum logic of qubits), which holds the non-algorithmic aspect of the mind.

  20. Radiation reaction in quantum field theory

    E-Print Network [OSTI]

    Higuchi, A

    2002-01-01T23:59:59.000Z

    We investigate radiation-reaction effects for a charged scalar particle accelerated by an external potential realized as a space-dependent mass term in quantum electrodynamics. In particular, we calculate the position shift of the final-state wave packet of the charged particle due to radiation at lowest order in the fine structure constant alpha and in the small h-bar approximation. This quantity turns out to be much smaller than the width of the wave packet but can be compared with the classical counterpart. We show that it disagrees with the result obtained using the Abraham-Lorentz-Dirac formula for the radiation-reaction force, and that it agrees with the classical theory if one assumes that the particle loses its energy to radiation at each moment of time according to the Larmor formula in the static frame of the potential. We also point out that the electromagnetic correction to the potential has no classical limit.

  1. Limited Holism and Real-Vector-Space Quantum Theory

    E-Print Network [OSTI]

    Lucien Hardy; William K. Wootters

    2010-05-26T23:59:59.000Z

    Quantum theory has the property of "local tomography": the state of any composite system can be reconstructed from the statistics of measurements on the individual components. In this respect the holism of quantum theory is limited. We consider in this paper a class of theories more holistic than quantum theory in that they are constrained only by "bilocal tomography": the state of any composite system is determined by the statistics of measurements on pairs of components. Under a few auxiliary assumptions, we derive certain general features of such theories. In particular, we show how the number of state parameters can depend on the number of perfectly distinguishable states. We also show that real-vector-space quantum theory, while not locally tomographic, is bilocally tomographic.

  2. Operational quantum theory without predefined time

    E-Print Network [OSTI]

    Ognyan Oreshkov; Nicolas J. Cerf

    2014-12-25T23:59:59.000Z

    The current operational formulation of quantum theory is based on the concept of operation with an input and an output system, which assumes a prior notion of time and is asymmetric under time reversal. But in certain contexts, such as those involving gravity, time is expected to be dynamical and not predefined. Here, we propose an operational formulation of quantum theory without any predefined notion of time. It is based on a generalization of the concept of operation motivated by an epistemic approach: an operation is a description of knowledge about the events in a given region, which can be updated conditionally on information obtained from that region. Each such region has a set of boundary systems, which by definition provide the sole means of information exchange between the events in the region and the events in other regions. Separate operations can be connected in networks through their boundary systems with no directionality assumed for the connections, which generalizes the standard circuit picture. The events associated with an operation are described by positive semidefinite operators on the Hilbert spaces of the boundary systems, while the connections between regions are described by entangled states that encode a nontrivial physical symmetry. A simple rule provides the joint probabilities for the events in a network of operations. We discuss how it may be possible to understand the emergence of a causal structure from properties of the operators on the boundaries of compact space-time regions. The framework allows for indefinite causal order, timelike loops, and other acausal structures. As part of this work, we obtain a generalization of Wigner's theorem, which is based on the preservation of probabilities of actual events and thus puts the concept of time reversal symmetry on operational grounds. It contains the possibility for a new class of symmetry transformations.

  3. Twists of quantum groups and noncommutative field theory

    E-Print Network [OSTI]

    P. P. Kulish

    2006-06-07T23:59:59.000Z

    The role of quantum universal enveloping algebras of symmetries in constructing a noncommutative geometry of space-time and corresponding field theory is discussed. It is shown that in the framework of the twist theory of quantum groups, the noncommutative (super) space-time defined by coordinates with Heisenberg commutation relations, is (super) Poincar\\'e invariant, as well as the corresponding field theory. Noncommutative parameters of global transformations are introduced.

  4. Ordinary versus PT-symmetric ?³ quantum field theory

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bender, Carl M.; Branchina, Vincenzo; Messina, Emanuele

    2012-04-01T23:59:59.000Z

    A quantum-mechanical theory is PT-symmetric if it is described by a Hamiltonian that commutes with PT, where the operator P performs space reflection and the operator T performs time reversal. A PT-symmetric Hamiltonian often has a parametric region of unbroken PT symmetry in which the energy eigenvalues are all real. There may also be a region of broken PT symmetry in which some of the eigenvalues are complex. These regions are separated by a phase transition that has been repeatedly observed in laboratory experiments. This paper focuses on the properties of a PT-symmetric ig?³ quantum field theory. This quantum field theory is the analog of the PT-symmetric quantum-mechanical theory described by the Hamiltonian H=p²+ix³, whose eigenvalues have been rigorously shown to be all real. This paper compares the renormalization group properties of a conventional Hermitian g?³ quantum field theory with those of the PT-symmetric ig?³ quantum field theory. It is shown that while the conventional g?³ theory in d=6 dimensions is asymptotically free, the ig?³ theory is like a g?? theory in d=4 dimensions; it is energetically stable, perturbatively renormalizable, and trivial.

  5. Low-Energy Effective Theories of Quantum Link and Quantum Spin Models

    E-Print Network [OSTI]

    B. Schlittgen; U. -J. Wiese

    2000-12-11T23:59:59.000Z

    Quantum spin and quantum link models provide an unconventional regularization of field theory in which classical fields arise via dimensional reduction of discrete variables. This D-theory regularization leads to the same continuum theories as the conventional approach. We show this by deriving the low-energy effective Lagrangians of D-theory models using coherent state path integral techniques. We illustrate our method for the $(2+1)$-d Heisenberg quantum spin model which is the D-theory regularization of the 2-d O(3) model. Similarly, we prove that in the continuum limit a $(2+1)$-d quantum spin model with $SU(N)_L\\times SU(N)_R\\times U(1)_{L=R}$ symmetry is equivalent to the 2-d principal chiral model. Finally, we show that $(4+1)$-d SU(N) quantum link models reduce to ordinary 4-d Yang-Mills theory.

  6. On a Formulation of Qubits in Quantum Field Theory

    E-Print Network [OSTI]

    Jacques Calmet; Xavier Calmet

    2012-01-21T23:59:59.000Z

    Qubits have been designed in the framework of quantum mechanics. Attempts to formulate the problem in the language of quantum field theory have been proposed already. In this short note we refine the meaning of qubits within the framework of quantum field theory. We show that the notion of gauge invariance naturally leads to a generalization of qubits to QFTbits which are then the fundamental carriers of information from the quantum field theoretical point of view. The goal of this note is to stress the availability of such a generalized concept of QFTbits.

  7. Limiting the complexity of quantum states: a toy theory

    E-Print Network [OSTI]

    Valerio Scarani

    2015-03-30T23:59:59.000Z

    This paper discusses a restriction of quantum theory, in which very complex states would be excluded. The toy theory is phrased in the language of the circuit model for quantum computing, its key ingredient being a limitation on the number of interactions that \\textit{each} qubit may undergo. As long as one stays in the circuit model, the toy theory is consistent and may even match what we shall be ever able to do in a controlled laboratory experiment. The direct extension of the restriction beyond the circuit model conflicts with observed facts: the possibility of restricting the complexity of quantum state, while saving phenomena, remains an open question.

  8. A Process Algebra Approach to Quantum Field Theory

    E-Print Network [OSTI]

    William Sulis

    2015-02-09T23:59:59.000Z

    The process algebra has been used successfully to provide a novel formulation of quantum mechanics in which non-relativistic quantum mechanics (NRQM) emerges as an effective theory asymptotically. The process algebra is applied here to the formulation of quantum field theory. The resulting QFT is intuitive, free from divergences and eliminates the distinction between particle, field and wave. There is a finite, discrete emergent space-time on which arise emergent entities which transfer information like discrete waves and interact with measurement processes like particles. The need for second quantization is eliminated and the particle and field theories rest on a common foundation, clarifying and simplifying the relationship between the two.

  9. Z Theory and its Quantum-Relativistic Operators

    E-Print Network [OSTI]

    Pietro Giorgio Zerbo

    2006-02-08T23:59:59.000Z

    The view provided by Z theory, based on its quantum-relativistic operators, is an integrated picture of the micro and macro quantities relationships. The axiomatic formulation of the theory is presented in this paper. The theory starts with the existence of the wave function, the existence of three fundamental constants h, c and G as well as the physical quantity Rc (the radius of the space-time continuum) plus the definition of a general form for the quantum-relativistic functional operators. Using such starting point the relationships between relativity, quantum mechanics and cosmological quantities can be clarified.

  10. Lorentz symmetry breaking as a quantum field theory regulator

    SciTech Connect (OSTI)

    Visser, Matt [School of Mathematics, Statistics, and Operations Research, Victoria University of Wellington, Wellington 6140 (New Zealand)

    2009-07-15T23:59:59.000Z

    Perturbative expansions of quantum field theories typically lead to ultraviolet (short-distance) divergences requiring regularization and renormalization. Many different regularization techniques have been developed over the years, but most regularizations require severe mutilation of the logical foundations of the theory. In contrast, breaking Lorentz invariance, while it is certainly a radical step, at least does not damage the logical foundations of the theory. I shall explore the features of a Lorentz symmetry breaking regulator in a simple polynomial scalar field theory and discuss its implications. In particular, I shall quantify just 'how much' Lorentz symmetry breaking is required to fully regulate the quantum theory and render it finite. This scalar field theory provides a simple way of understanding many of the key features of Horava's recent article [Phys. Rev. D 79, 084008 (2009)] on 3+1 dimensional quantum gravity.

  11. Completely Reducible maps in Quantum Information Theory

    E-Print Network [OSTI]

    Daniel Cariello

    2015-02-18T23:59:59.000Z

    In order to compute the Schmidt decomposition of $A\\in M_k\\otimes M_m$, we must consider an associated self-adjoint map. Here, we show that if $A$ is positive under partial transposition (PPT) or symmetric with positive coefficients (SPC) or invariant under realignment then its associated self-adjoint map is completely reducible. We give applications of this fact in Quantum Information Theory. We recover some theorems recently proved for PPT and SPC matrices and we prove these theorems for matrices invariant under realignment using theorems of Perron-Frobenius theory. We also provide a new proof of the fact that if $\\mathbb{C}^{k}$ contains $k$ mutually unbiased bases then $\\mathbb{C}^{k}$ contains $k+1$. We search for other types of matrices that could have the same property. We consider a group of linear transformations acting on $M_k\\otimes M_k$, which contains the partial transpositions and the realignment map. For each element of this group, we consider the set of matrices in $M_k\\otimes M_k\\simeq M_{k^2}$ that are positive and remain positive, or invariant, under the action of this element. Within this family of sets, we have the set of PPT matrices, the set of SPC matrices and the set of matrices invariant under realignment. We show that these three sets are the only sets of this family such that the associated self-adjoint map of each matrix is completely reducible. We also show that every matrix invariant under realignment is PPT in $M_2\\otimes M_2$ and we present a counterexample in $M_k\\otimes M_k$, $k\\geq 3$.

  12. Brane Dynamics and Four-Dimensional Quantum Field Theory

    E-Print Network [OSTI]

    N. D. Lambert; P. C. West

    1998-11-19T23:59:59.000Z

    We review the relation between the classical dynamics of the M-fivebrane and the quantum low energy effective action for N=2 Yang-Mills theories. We also discuss some outstanding issues in this correspondence.

  13. Hadamard subtractions for infrared singularities in quantum field theory 

    E-Print Network [OSTI]

    Burton, George Edmund C.

    2011-06-27T23:59:59.000Z

    Feynman graphs in perturbative quantum field theory are replete with infrared divergences caused by the presence of massless particles, how-ever these divergences are known to cancel order-by-order when all virtual and ...

  14. Rigorous results in space-space noncommutative quantum field theory

    E-Print Network [OSTI]

    M. N. Mnatsakanova; Yu. S. Vernov

    2006-12-19T23:59:59.000Z

    The axiomatic approach based on Wightman functions is developed in noncommutative quantum field theory. We have proved that the main results of the axiomatic approach remain valid if the noncommutativity affects only the spatial variables.

  15. Two quantum effects in the theory of gravitation

    E-Print Network [OSTI]

    Robinson, Sean Patrick, 1977-

    2005-01-01T23:59:59.000Z

    We will discuss two methods by which the formalism of quantum field theory can be included in calculating the physical effects of gravitation. In the first of these, the consequences of treating general relativity as an ...

  16. Quantum mechanical effects from deformation theory

    SciTech Connect (OSTI)

    Much, A. [Max-Planck-Institute for Mathematics in the Sciences, 04103 Leipzig, Germany and Institute for Theoretical Physics, University of Leipzig, 04009 Leipzig (Germany)] [Max-Planck-Institute for Mathematics in the Sciences, 04103 Leipzig, Germany and Institute for Theoretical Physics, University of Leipzig, 04009 Leipzig (Germany)

    2014-02-15T23:59:59.000Z

    We consider deformations of quantum mechanical operators by using the novel construction tool of warped convolutions. The deformation enables us to obtain several quantum mechanical effects where electromagnetic and gravitomagnetic fields play a role. Furthermore, a quantum plane can be defined by using the deformation techniques. This in turn gives an experimentally verifiable effect.

  17. The Physical Renormalization of Quantum Field Theories

    SciTech Connect (OSTI)

    Binger, Michael William.; /Stanford U., Phys. Dept. /SLAC

    2007-02-20T23:59:59.000Z

    The profound revolutions in particle physics likely to emerge from current and future experiments motivates an improved understanding of the precise predictions of the Standard Model and new physics models. Higher order predictions in quantum field theories inevitably requires the renormalization procedure, which makes sensible predictions out of the naively divergent results of perturbation theory. Thus, a robust understanding of renormalization is crucial for identifying and interpreting the possible discovery of new physics. The results of this thesis represent a broad set of investigations in to the nature of renormalization. The author begins by motivating a more physical approach to renormalization based on gauge-invariant Green's functions. The resulting effective charges are first applied to gauge coupling unification. This approach provides an elegant formalism for understanding all threshold corrections, and the gauge couplings unify in a more physical manner compared to the usual methods. Next, the gauge-invariant three-gluon vertex is studied in detail, revealing an interesting and rich structure. The effective coupling for the three-gluon vertex, {alpha}(k{sub 1}{sup 2}, k{sub 2}{sup 2}, k{sub 3}{sup 2}), depends on three momentum scales and gives rise to an effective scale Q{sub eff}{sup 2}(k{sub 1}{sup 2}, k{sub 2}{sup 2}, k{sub 3}{sup 2}) which governs the (sometimes surprising) behavior of the vertex. The effects of nonzero internal masses are important and have a complicated threshold and pseudo-threshold structure. The pinch-technique effective charge is also calculated to two-loops and several applications are discussed. The Higgs boson mass in Split Supersymmetry is calculated to two-loops, including all one-loop threshold effects, leading to a downward shift in the Higgs mass of a few GeV. Finally, the author discusses some ideas regarding the overall structure of perturbation theory. This thesis lays the foundation for a comprehensive multi-scale analytic renormalization scheme based on gauge-invariant Green's functions, in which the scale ambiguity problem is reduced since physical kinematic invariants determine the arguments of the couplings.

  18. Quantum Theory at the Crossroads: Reconsidering the 1927 Solvay Conference

    E-Print Network [OSTI]

    Guido Bacciagaluppi; Antony Valentini

    2009-10-24T23:59:59.000Z

    We reconsider the crucial 1927 Solvay conference in the context of current research in the foundations of quantum theory. Contrary to folklore, the interpretation question was not settled at this conference and no consensus was reached; instead, a range of sharply conflicting views were presented and extensively discussed. Today, there is no longer an established or dominant interpretation of quantum theory, so it is important to re-evaluate the historical sources and keep the interpretation debate open. In this spirit, we provide a complete English translation of the original proceedings (lectures and discussions), and give background essays on the three main interpretations presented: de Broglie's pilot-wave theory, Born and Heisenberg's quantum mechanics, and Schroedinger's wave mechanics. We provide an extensive analysis of the lectures and discussions that took place, in the light of current debates about the meaning of quantum theory. The proceedings contain much unexpected material, including extensive discussions of de Broglie's pilot-wave theory (which de Broglie presented for a many-body system), and a "quantum mechanics" apparently lacking in wave function collapse or fundamental time evolution. We hope that the book will contribute to the ongoing revival of research in quantum foundations, as well as stimulate a reconsideration of the historical development of quantum physics. A more detailed description of the book may be found in the Preface. (Copyright by Cambridge University Press (ISBN: 9780521814218).)

  19. The Quantum Theory of Optical Communications

    E-Print Network [OSTI]

    Shapiro, Jeffrey H.

    Communication theory applied to lightwave channels is ordinarily carried out using the semiclassical theory of photodetection. Recent development of nonclassical light sources-whose photodetection statistics require the ...

  20. Energy Inequalities in Quantum Field Theory

    E-Print Network [OSTI]

    Christopher J. Fewster

    2005-01-31T23:59:59.000Z

    Quantum fields are known to violate all the pointwise energy conditions of classical general relativity. We review the subject of quantum energy inequalities: lower bounds satisfied by weighted averages of the stress-energy tensor, which may be regarded as the vestiges of the classical energy conditions after quantisation. Contact is also made with thermodynamics and related issues in quantum mechanics, where such inequalities find analogues in sharp Gaarding inequalities.

  1. Young's Double Slit Experiment in Quantum Field Theory

    E-Print Network [OSTI]

    Masakatsu Kenmoku; Kenji Kume

    2011-03-01T23:59:59.000Z

    Young's double slit experiment is formulated in the framework of canonical quantum field theory in view of the modern quantum optics. We adopt quantum scalar fields instead of quantum electromagnetic fields ignoring the vector freedom in gauge theory. The double slit state is introduced in Fock space corresponding to experimental setup. As observables, expectation values of energy density and positive frequency part of current with respect to the double slit state are calculated which give the interference term. Classical wave states are realized by coherent double slit states in Fock space which connect quantum particle states with classical wave states systematically. In case of incoherent sources, the interference term vanishes by averaging random phase angles as expected.

  2. The quantum systems control and the optimal control theory

    E-Print Network [OSTI]

    V. F. Krotov

    2008-05-22T23:59:59.000Z

    Mathematical theory of the quantum systems control is based on some ideas of the optimal control theory. These ideas are developed here as applied to these systems. The results obtained meet the deficiencies in the basis and algorithms of the control synthesis and expand the application of these methods.

  3. Quantum and semiclassical theories of chemical reaction rates

    SciTech Connect (OSTI)

    Miller, W.H. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Chemical Sciences Div.

    1995-09-01T23:59:59.000Z

    A rigorous quantum mechanical theory (and a semiclassical approximation thereto) is described for calculating chemical reaction rates ``directly``, i.e., without having to solve the complete state-to-state reactive scattering problem. The approach has many vestiges of transition state theory, for which it may be thought of as the rigorous generalization.

  4. Transition state theory, Siegert eigenstates, and quantum mechanical reaction rates

    E-Print Network [OSTI]

    Miller, William H.

    Transition state theory, Siegert eigenstates, and quantum mechanical reaction rates Tamar Seideman variables associated with a transition state (i.e., the saddle point of a potential energy surface), on which a general semiclassical transition state theory is based, are shown to be the semiclassical

  5. A Goldstone Theorem in Thermal Relativistic Quantum Field Theory

    E-Print Network [OSTI]

    Christian D. Jaekel; Walter F. Wreszinski

    2010-06-01T23:59:59.000Z

    We prove a Goldstone Theorem in thermal relativistic quantum field theory, which relates spontaneous symmetry breaking to the rate of space-like decay of the two-point function. The critical rate of fall-off coincides with that of the massless free scalar field theory. Related results and open problems are briefly discussed.

  6. Propagation of uncertainties in the nuclear DFT models

    E-Print Network [OSTI]

    Markus Kortelainen

    2014-09-04T23:59:59.000Z

    Parameters of the nuclear density functional theory (DFT) models are usually adjusted to experimental data. As a result they carry certain theoretical error, which, as a consequence, carries out to the predicted quantities. In this work we address the propagation of theoretical error, within the nuclear DFT models, from the model parameters to the predicted observables. In particularly, the focus is set on the Skyrme energy density functional models.

  7. Entropy of quantum channel in the theory of quantum information

    E-Print Network [OSTI]

    Wojciech Roga

    2011-10-03T23:59:59.000Z

    Quantum channels, also called quantum operations, are linear, trace preserving and completely positive transformations in the space of quantum states. Such operations describe discrete time evolution of an open quantum system interacting with an environment. The thesis contains an analysis of properties of quantum channels and different entropies used to quantify the decoherence introduced into the system by a given operation. Part I of the thesis provides a general introduction to the subject. In Part II, the action of a quantum channel is treated as a process of preparation of a quantum ensemble. The Holevo information associated with this ensemble is shown to be bounded by the entropy exchanged during the preparation process between the initial state and the environment. A relation between the Holevo information and the entropy of an auxiliary matrix consisting of square root fidelities between the elements of the ensemble is proved in some special cases. Weaker bounds on the Holevo information are also established. The entropy of a channel, also called the map entropy, is defined as the entropy of the state corresponding to the channel by the Jamiolkowski isomorphism. In Part III of the thesis, the additivity of the entropy of a channel is proved. The minimal output entropy, which is difficult to compute, is estimated by an entropy of a channel which is much easier to obtain. A class of quantum channels is specified, for which additivity of channel capacity is conjectured. The last part of the thesis contains characterization of Davies channels, which correspond to an interaction of a state with a thermal reservoir in the week coupling limit, under the condition of quantum detailed balance and independence of rotational and dissipative evolutions. The Davies channels are characterized for one-qubit and one-qutrit systems.

  8. The Monte Carlo method in quantum field theory

    E-Print Network [OSTI]

    Colin Morningstar

    2007-02-20T23:59:59.000Z

    This series of six lectures is an introduction to using the Monte Carlo method to carry out nonperturbative studies in quantum field theories. Path integrals in quantum field theory are reviewed, and their evaluation by the Monte Carlo method with Markov-chain based importance sampling is presented. Properties of Markov chains are discussed in detail and several proofs are presented, culminating in the fundamental limit theorem for irreducible Markov chains. The example of a real scalar field theory is used to illustrate the Metropolis-Hastings method and to demonstrate the effectiveness of an action-preserving (microcanonical) local updating algorithm in reducing autocorrelations. The goal of these lectures is to provide the beginner with the basic skills needed to start carrying out Monte Carlo studies in quantum field theories, as well as to present the underlying theoretical foundations of the method.

  9. Generalized Gravity I : Kinematical Setting and reformalizing Quantum Field Theory

    E-Print Network [OSTI]

    Johan Noldus

    2008-04-20T23:59:59.000Z

    The first part of this work deals with the development of a natural differential calculus on non-commutative manifolds. The second part extends the covariance and equivalence principle as well studies its kinematical consequences such as the arising of gauge theory. Furthermore, a manifestly causal and covariant formulation of quantum field theory is presented which surpasses the usual Hamiltonian and path integral construction. A particular representation of this theory on the kinematical structure developed in section three is moreover given.

  10. Theory of Quantum Oscillations in Cuprate Superconductors

    E-Print Network [OSTI]

    Eun, Jonghyoun

    2012-01-01T23:59:59.000Z

    Cuprate Superconductors . . . . . . . . . . . . . . . . . .J. Schried?er. Theory of superconductivity. Phys. Rev. , [Tinkham. Introduction to Superconductivity. Dover, New York,

  11. Noncommutative Topological Quantum Field Theory, Noncommutative Floer Homology, Noncommutative Hodge Theory

    E-Print Network [OSTI]

    Ioannis P. Zois

    2014-01-16T23:59:59.000Z

    We present some ideas for a possible Noncommutative Topological Quantum Field Theory (NCTQFT) and Noncommutative Floer Homology (NCFH). Our motivation is two-fold and it comes both from physics and mathematics: On the one hand we argue that NCTQFT is the correct mathematical framework for a quantum field theory of all known interactions in nature (including gravity). On the other hand we hope that a possible NCFH will apply to practically every 3-manifold (and not only to homology 3-spheres as ordinary Floer Homology currently does). The two motivations are closely related since, at least in the commutative case, Floer Homology Groups constitute the space of quantum observables of (3+1)-dim Topological Quantum Field Theory. Towards this goal we present some "Noncommutative" Versions of Hodge Theory for noncommutative differentail forms and tangential cohomology for foliations.

  12. Irreducibility of the set of field operators in Noncommutative Quantum Field Theory

    E-Print Network [OSTI]

    M. N. Mnatsakanova; Yu. S. Vernov

    2012-09-02T23:59:59.000Z

    Irreducibility of the set of quantum field operators has been proved in noncommutative quantum field theory in the general case when time does not commute with spatial variables.

  13. On quantum theories of the mind

    E-Print Network [OSTI]

    Henry P. Stapp

    1997-11-26T23:59:59.000Z

    Replies are given to arguments advanced in this journal that claim to show that it is to nonlinear classical mechanics rather than quantum mechanics that one must look for the physical underpinnings of consciousness.

  14. Quantum theory as a critical regime of language dynamics

    E-Print Network [OSTI]

    Alexei Grinbaum

    2015-01-12T23:59:59.000Z

    Quantum mechanics relies on the cut between the observer and the quantum system, but it does not define the observer physically. We propose an informational definition based on bounded complexity of strings. Language dynamics then leads to an emergent continuous model in the critical regime. Restricting it to a subfamily of `quantum' binary codes describing `bipartite systems', we find strong evidence of an upper bound on bipartite correlations equal to 2.82537. This is measurably different from the Tsirelson bound of the CHSH inequality. If such a reconstruction of quantum theory is experimentally confirmed, it would show that the Hilbert space formalism is but an effective description of a fundamental `linguistic' theory in the critical regime.

  15. Toolbox for reconstructing quantum theory from rules on information acquisition

    E-Print Network [OSTI]

    Hoehn, Philipp A

    2015-01-01T23:59:59.000Z

    We develop a novel operational approach for reconstructing (qubit) quantum theory from elementary rules on information acquisition. The focus lies on an observer O interrogating a system S with binary questions and S's state is taken as O's `catalogue of knowledge' about S. The mathematical tools of the framework are simple and we attempt to highlight all underlying assumptions to provide a handle for future generalizations. Five principles are imposed, asserting (1) a limit on the amount of information available to O; (2) the mere existence of complementary information; (3) the possibility for O's information to be `in superposition'; (4) O's information to be preserved in between interrogations; and, (5) continuity of time evolution. This approach permits a constructive derivation of quantum theory, elucidating how the ensuing independence, complementarity and compatibility structure of O's questions matches that of projective measurements in quantum theory, how entanglement and monogamy of entanglement and...

  16. Invariant Set Theory and the Symbolism of Quantum Measurement

    E-Print Network [OSTI]

    T. N. Palmer

    2015-02-24T23:59:59.000Z

    Elements of a novel theory of quantum physics are developed, synthesising the role of symbolism in describing quantum measurement and in the topological representation of fractal invariant sets in nonlinear dynamical systems theory. In this synthesis, the universe $U$ is treated as an isolated deterministic dynamical system evolving precisely on a measure-zero fractal invariant subset $I_U$ of its state space. A non-classical approach to the physics of $U$ is developed by treating the geometry of $I_U$ as more primitive than dynamical evolution equations on $I_U$. A specific symbolic representation of $I_U$ is constructed which encodes quaternionic multiplication and from which the statistical properties of complex Hilbert Space vectors are emergent. The Hilbert Space itself arises as the singular limit of Invariant Set Theory as a fractal parameter $N \\rightarrow \\infty$. Although the Hilbert Space of quantum theory is counterfactually complete, the measure-zero set $I_U$ is counterfactually incomplete, no matter how large is $N$. Such incompleteness allows reinterpretations of familiar quantum phenomena, consistent with realism and local causality. The non-computable nature of $I_U$ ensures that these reinterpretations are neither conspiratorial nor retrocausal and, through a homeomorphism with the ring of $2^N$-adic integers, are robust to noise and hence not fine tuned. The non-commutativity of Hilbert Space observables emerges from the symbolic representation of $I_U$ through the generic number-theoretic incommensurateness of $\\phi/\\pi$ and $\\cos \\phi$. Invariant Set Theory implies a much stronger synergy between cosmology and quantum physics than exists in contemporary theory, suggesting a novel approach to synthesising gravitational and quantum physics and providing new perspectives on the dark universe and information loss in black holes.

  17. The Boltzmann Equation in Classical and Quantum Field Theory

    E-Print Network [OSTI]

    Sangyong Jeon

    2005-07-18T23:59:59.000Z

    Improving upon the previous treatment by Mueller and Son, we derive the Boltzmann equation that results from a classical scalar field theory. This is obtained by starting from the corresponding quantum field theory and taking the classical limit with particular emphasis on the path integral and perturbation theory. A previously overlooked Van-Vleck determinant is shown to control the tadpole type of self-energy that can still appear in the classical perturbation theory. Further comments on the validity of the approximations and possible applications are also given.

  18. Matrix Quantum Mechanics and Soliton Regularization of Noncommutative Field Theory

    E-Print Network [OSTI]

    Giovanni Landi; Fedele Lizzi; Richard J. Szabo

    2004-01-20T23:59:59.000Z

    We construct an approximation to field theories on the noncommutative torus based on soliton projections and partial isometries which together form a matrix algebra of functions on the sum of two circles. The matrix quantum mechanics is applied to the perturbative dynamics of scalar field theory, to tachyon dynamics in string field theory, and to the Hamiltonian dynamics of noncommutative gauge theory in two dimensions. We also describe the adiabatic dynamics of solitons on the noncommutative torus and compare various classes of noncommutative solitons on the torus and the plane.

  19. Towards a K-theory description of quantum hair

    SciTech Connect (OSTI)

    Garcia-Compean, H.; Loaiza-Brito, O. [Departamento de Fisica, Centro de Investigacion y de Estudios Avanzados del I.P.N., P.O. Box 14-740, 07000, Mexico D.F (Mexico); Departamento de Fisica, Universidad de Guanajuato, C.P. 37150, Leon, Guanajuato (Mexico)

    2012-08-24T23:59:59.000Z

    The first steps towards a proposal for a description of the quantum hair in 4D supersymmetric black holes in string Calabi-Yau (CY) compactifications are given. The quantum hair consisting of electric and magnetic fractional charges in black holes are derived from periods of the CY's torsion cycles. In the process a K-theory interpretation of the quantum hair in terms of the Atiyah-Hirzebruch spectral sequence is carried out. Finally, the same procedure is considered for torsion cycles of certain generalized CY's threefolds such as half-flat manifolds.

  20. Quantum Solution to Scalar Field Theory Models

    E-Print Network [OSTI]

    Gordon Chalmers

    2005-09-08T23:59:59.000Z

    Amplitudes $A_n$ in $d$-dimensional scalar field theory are generated, to all orders in the coupling constant and at $n$-point. The amplitudes are expressed as a series in the mass $m$ and coupling $\\lambda$. The inputs are the classical scattering, and these generate, after the integrals are performed, the series expansion in the couplings $\\lambda_i$. The group theory of the scalar field theory leads to an additional permutation on the $L$ loop trace structures. Any scalar field theory, including those with higher dimension operators and in any dimension, are amenable.

  1. Theory of a quantum noncanonical field in curved spacetimes

    SciTech Connect (OSTI)

    Indurain, Javier; Liberati, Stefano [Departamento de Fisica Teorica, Universidad de Zaragoza, Zaragoza 50009 (Spain); SISSA, Via Beirut 2-4, 34151 Trieste (Italy) and INFN sezione di Trieste (Italy)

    2009-08-15T23:59:59.000Z

    Much attention has been recently devoted to the possibility that quantum gravity effects could lead to departures from special relativity in the form of a deformed Poincare algebra. These proposals go generically under the name of doubly or deformed special relativity (DSR). In this article we further explore a recently proposed class of quantum field theories, involving noncanonically commuting complex scalar fields, which have been shown to entail a DSR-like symmetry. An open issue for such theories is whether the DSR-like symmetry has to be taken as a physically relevant symmetry, or if in fact the 'true' symmetries of the theory are just rotations and translations while boost invariance has to be considered broken. Here we analyze this issue by extending the known results to curved spacetime under both of the previous assumptions. We show that if the symmetry of the free theory is taken to be a DSR-like realization of the Poincare symmetry, then it is not possible to render such a symmetry a gauge symmetry of the curved physical spacetime. However, it is possible to introduce an auxiliary spacetime which allows one to describe the theory as a standard quantum field theory in curved spacetime. Alternatively, taking the point of view that the noncanonical commutation of the fields actually implies a breakdown of boost invariance, the physical spacetime manifold has to be foliated in surfaces of simultaneity, and the field theory can be coupled to gravity by making use of the Arnowitt-Deser-Misner prescription.

  2. Theory of an optomechanical quantum heat engine

    E-Print Network [OSTI]

    Keye Zhang; Francesco Bariani; Pierre Meystre

    2014-08-13T23:59:59.000Z

    Coherent interconversion between optical and mechanical excitations in an optomechanical cavity can be used to engineer a quantum heat engine. This heat engine is based on an Otto cycle between a cold photonic reservoir and a hot phononic reservoir [Phys. Rev. Lett. 112, 150602 (2014)]. Building on our previous work, we (i) develop a detailed theoretical analysis of the work and the efficiency of the engine, and (ii) perform an investigation of the quantum thermodynamics underlying this scheme. In particular, we analyze the thermodynamic performance in both the dressed polariton picture and the original bare photon and phonon picture. Finally, (iii) a numerical simulation is performed to derive the full evolution of the quantum optomechanical system during the Otto cycle, by taking into account all relevant sources of noise.

  3. Multi-scale quantum simulation of quantum field theory using wavelets

    E-Print Network [OSTI]

    Gavin K. Brennen; Peter Rohde; Barry C. Sanders; Sukhwinder Singh

    2014-12-02T23:59:59.000Z

    A successful approach to understand field theories is to resolve the physics into different length or energy scales using the renormalization group framework. We propose a quantum simulation of quantum field theory which encodes field degrees of freedom in a wavelet basis---a multi-scale description of the theory. Since wavelets are compact wavefunctions, this encoding allows for quantum simulations to create particle excitations with compact support and provides a natural way to associate observables in the theory to finite resolution detectors. We show that the wavelet basis is well suited to compute subsystem entanglement entropy by dividing the field into contributions from short-range wavelet degrees of freedom and long-range scale degrees of freedom, of which the latter act as renormalized modes which capture the essential physics at a renormalization fixed point.

  4. Comments on Cahill's Quantum Foam Inflow Theory of Gravity

    E-Print Network [OSTI]

    T. D. Martin

    2004-07-20T23:59:59.000Z

    We reveal an underlying flaw in Reginald T. Cahill's recently promoted quantum foam inflow theory of gravity. It appears to arise from a confusion of the idea of the Galilean invariance of the acceleration of an individual flow with what is obtained as an acceleration when a homogeneous flow is superposed with an inhomogeneous flow. We also point out that the General Relativistic covering theory he creates by substituting a generalized Painleve-Gullstrand metric into Einstein's field equations leads to absurd results.

  5. Noncommutative and Non-Anticommutative Quantum Field Theory

    E-Print Network [OSTI]

    J. W. Moffat

    2001-07-19T23:59:59.000Z

    A noncommutative and non-anticommutative quantum field theory is formulated in a superspace, in which the superspace coordinates satisfy noncommutative and non-anticommutative relations. A perturbative scalar field theory is investigated in which only the non-anticommutative algebraic structure is kept, and one loop diagrams are calculated and found to be finite due to the damping caused by a Gaussian factor in the propagator.

  6. Noncommutative Field Theory from Quantum Mechanical Space-Space Noncommutativity

    E-Print Network [OSTI]

    Marcos Rosenbaum; J. David Vergara; L. Roman Juarez

    2007-09-21T23:59:59.000Z

    We investigate the incorporation of space noncommutativity into field theory by extending to the spectral continuum the minisuperspace action of the quantum mechanical harmonic oscillator propagator with an enlarged Heisenberg algebra. In addition to the usual $\\star$-product deformation of the algebra of field functions, we show that the parameter of noncommutativity can occur in noncommutative field theory even in the case of free fields without self-interacting potentials.

  7. Quantum chiral field theory of $0^{-+}$ glueball

    E-Print Network [OSTI]

    Bing An Li

    2011-08-23T23:59:59.000Z

    A chiral field theory of $0^{-+}$ glueball is presented. The coupling between the quark operator and the $0^{-+}$ glueball field is revealed from the U(1) anomaly. The Lagrangian of this theory is constructed by adding a $0^{-+}$ glueball field to a successful Lagrangian of chiral field theory of pseudoscalar, vector, and axial-vector mesons. Quantitative study of the physical processes of the $0^{-+}$ glueball of $m=1.405\\textrm{GeV}$ is presented. The theoretical predictions can be used to identify the $0^{-+}$ glueball.

  8. Viscosity, Black Holes, and Quantum Field Theory

    E-Print Network [OSTI]

    D. T. Son; A. O. Starinets

    2007-07-11T23:59:59.000Z

    We review recent progress in applying the AdS/CFT correspondence to finite-temperature field theory. In particular, we show how the hydrodynamic behavior of field theory is reflected in the low-momentum limit of correlation functions computed through a real-time AdS/CFT prescription, which we formulate. We also show how the hydrodynamic modes in field theory correspond to the low-lying quasinormal modes of the AdS black p-brane metric. We provide a proof of the universality of the viscosity/entropy ratio within a class of theories with gravity duals and formulate a viscosity bound conjecture. Possible implications for real systems are mentioned.

  9. Renormalization of Noncommutative Quantum Field Theories

    E-Print Network [OSTI]

    Amilcar R. de Queiroz; Rahul Srivastava; Sachindeo Vaidya

    2013-02-14T23:59:59.000Z

    We report on a comprehensive analysis of the renormalization of noncommutative \\phi^4 scalar field theories on the Groenewold-Moyal (GM) plane. These scalar field theories are twisted Poincar\\'e invariant. Our main results are that these scalar field theories are renormalizable, free of UV/IR mixing, possess the same fixed points and \\beta-functions for the couplings as their commutative counterparts. We also argue that similar results hold true for any generic noncommutative field theory with polynomial interactions and involving only pure matter fields. A secondary aim of this work is to provide a comprehensive review of different approaches for the computation of the noncommutative S-matrix: noncommutative interaction picture and noncommutative LSZ formalism.

  10. Quantum critical benchmark for density functional theory

    E-Print Network [OSTI]

    Paul E. Grabowski; Kieron Burke

    2014-08-09T23:59:59.000Z

    Two electrons at the threshold of ionization represent a severe test case for electronic structure theory. A pseudospectral method yields a very accurate density of the two-electron ion with nuclear charge close to the critical value. Highly accurate energy components and potentials of Kohn-Sham density functional theory are given, as well as a useful parametrization of the critical density. The challenges for density functional approximations and the strength of correlation are also discussed.

  11. Quantum-mechanical theory of optomechanical Brillouin cooling

    SciTech Connect (OSTI)

    Tomes, Matthew; Bahl, Gaurav; Carmon, Tal [Department of Electrical Engineering, University of Michigan, Ann Arbor, Michigan 48109 (United States); Marquardt, Florian [Institut fuer Theoretische Physik, Universitaet Erlangen-Nuernberg, Staudtstrasse 7, D-91058 Erlangen (Germany); Max Planck Institute for the Science of Light, Guenther-Scharowsky-Strasse 1/Bau 24, D-91058 Erlangen (Germany)

    2011-12-15T23:59:59.000Z

    We analyze how to exploit Brillouin scattering of light from sound for the purpose of cooling optomechanical devices and present a quantum-mechanical theory for Brillouin cooling. Our analysis shows that significant cooling ratios can be obtained with standard experimental parameters. A further improvement of cooling efficiency is possible by increasing the dissipation of the optical anti-Stokes resonance.

  12. Simplification of additivity conjecture in quantum information theory

    E-Print Network [OSTI]

    Motohisa Fukuda

    2007-04-09T23:59:59.000Z

    We simplify some conjectures in quantum information theory; the additivity of minimal output entropy, the multiplicativity of maximal output p-norm and the superadditivity of convex closure of output entropy. We construct a unital channel for a given channel so that they share the above additivity properties; we can reduce the conjectures for all channels to those for unital channels.

  13. 221B Lecture Notes Quantum Field Theory III (Radiation Field)

    E-Print Network [OSTI]

    Murayama, Hitoshi

    221B Lecture Notes Quantum Field Theory III (Radiation Field) 1 Quantization of Radiation Field was quantized: photons. Now that we have gone through quantization of a classical field (Schr¨odinger field so far), we can proceed to quantize the Maxwell field. The basic idea is pretty much the same, except

  14. 221B Lecture Notes Quantum Field Theory IV (Radiation Field)

    E-Print Network [OSTI]

    Murayama, Hitoshi

    221B Lecture Notes Quantum Field Theory IV (Radiation Field) 1 Quantization of Radiation Field was quantized: photons. Now that we have gone through quantization of a classical field (Schr¨odinger field so far), we can proceed to quantize the Maxwell field. The basic idea is pretty much the same, except

  15. Toolbox for reconstructing quantum theory from rules on information acquisition

    E-Print Network [OSTI]

    Philipp A Hoehn

    2014-12-29T23:59:59.000Z

    We develop a novel operational approach for reconstructing (qubit) quantum theory from elementary rules on information acquisition. The focus lies on an observer O interrogating a system S with binary questions and S's state is taken as O's `catalogue of knowledge' about S. The mathematical tools of the framework are simple and we attempt to highlight all underlying assumptions to provide a handle for future generalizations. Five principles are imposed, asserting (1) a limit on the amount of information available to O; (2) the mere existence of complementary information; (3) the possibility for O's information to be `in superposition'; (4) O's information to be preserved in between interrogations; and, (5) continuity of time evolution. This approach permits a constructive derivation of quantum theory, elucidating how the ensuing independence, complementarity and compatibility structure of O's questions matches that of projective measurements in quantum theory, how entanglement and monogamy of entanglement and, more generally, how the correlation structure of arbitrarily many qubits and rebits arises. The principles yield a reversible time evolution and a quadratic measure, quantifying O's information about S. Finally, it is shown that the five principles admit two solutions for the simplest case of a single elementary system: the Bloch ball and disc as state spaces for a qubit and rebit, respectively, together with their symmetries as time evolution groups. The reconstruction is completed in a companion paper where an additional postulate eliminates the rebit case. This approach is conceptually close to the relational interpretation of quantum theory.

  16. Localization and diffusion in polymer quantum field theory

    E-Print Network [OSTI]

    Michele Arzano; Marco Letizia

    2014-08-13T23:59:59.000Z

    Polymer quantization is a non-standard approach to quantizing a classical system inspired by background independent approaches to quantum gravity such as loop quantum gravity. When applied to field theory it introduces a characteristic polymer scale at the level of the fields classical configuration space. Compared with models with space-time discreteness or non-commutativity this is an alternative way in which a characteristic scale can be introduced in a field theoretic context. Motivated by this comparison we study here localization and diffusion properties associated with polymer field observables and dispersion relation in order to shed some light on the novel physical features introduced by polymer quantization. While localization processes seems to be only mildly affected by polymer effects, we find that polymer diffusion differs significantly from the "dimensional reduction" picture emerging in other Planck-scale models beyond local quantum field theory.

  17. Noncommutative Common Cause Principles in Algebraic Quantum Field Theory

    E-Print Network [OSTI]

    Gábor Hofer-Szabó; Péter Vecsernyés

    2012-01-23T23:59:59.000Z

    States in algebraic quantum field theory "typically" establish correlation between spacelike separated events. Reichenbach's Common Cause Principle, generalized to the quantum field theoretical setting, offers an apt tool to causally account for these superluminal correlations. In the paper we motivate first why commutativity between the common cause and the correlating events should be abandoned in the definition of the common cause. Then we show that the Noncommutative Weak Common Cause Principle holds in algebraic quantum field theory with locally finite degrees of freedom. Namely, for any pair of projections A, B supported in spacelike separated regions V_A and V_B, respectively, there is a local projection C not necessarily commuting with A and B such that C is supported within the union of the backward light cones of V_A and V_B and the set {C, non-C} screens off the correlation between A and B.

  18. Perturbative quantum field theory in the framework of the fermionic projector

    SciTech Connect (OSTI)

    Finster, Felix, E-mail: finster@ur.de [Fakultät für Mathematik, Universität Regensburg, D-93040 Regensburg (Germany)] [Fakultät für Mathematik, Universität Regensburg, D-93040 Regensburg (Germany)

    2014-04-15T23:59:59.000Z

    We give a microscopic derivation of perturbative quantum field theory, taking causal fermion systems and the framework of the fermionic projector as the starting point. The resulting quantum field theory agrees with standard quantum field theory on the tree level and reproduces all bosonic loop diagrams. The fermion loops are described in a different formalism in which no ultraviolet divergences occur.

  19. Tensor networks for Lattice Gauge Theories and Atomic Quantum Simulation

    E-Print Network [OSTI]

    E. Rico; T. Pichler; M. Dalmonte; P. Zoller; S. Montangero

    2014-06-07T23:59:59.000Z

    We show that gauge invariant quantum link models, Abelian and non-Abelian, can be exactly described in terms of tensor networks states. Quantum link models represent an ideal bridge between high-energy to cold atom physics, as they can be used in cold-atoms in optical lattices to study lattice gauge theories. In this framework, we characterize the phase diagram of a (1+1)-d quantum link version of the Schwinger model in an external classical background electric field: the quantum phase transition from a charge and parity ordered phase with non-zero electric flux to a disordered one with a net zero electric flux configuration is described by the Ising universality class.

  20. Foundations for proper-time relativistic quantum theory

    E-Print Network [OSTI]

    Tepper L. Gill; Trey Morris; Stewart K. Kurtz

    2015-03-06T23:59:59.000Z

    This paper is a progress report on the foundations for the canonical proper-time approach to relativistic quantum theory. We first review the the standard square-root equation of relativistic quantum theory, followed by a review of the Dirac equation, providing new insights into the physical properties of both. We then introduce the canonical proper-time theory. For completeness, we give a brief outline of the canonical proper-time approach to electrodynamics and mechanics, and then introduce the canonical proper-time approach to relativistic quantum theory. This theory leads to three new relativistic wave equations. In each case, the canonical generator of proper-time translations is strictly positive definite, so that it represents a particle. We show that the canonical proper-time extension of the Dirac equation for Hydrogen gives results that are consistently closer to the experimental data, when compared to the Dirac equation. However, these results are not sufficient to account for either the Lamb shift or the anomalous magnetic moment.

  1. De Sitter Space, Interacting Quantum Field Theory And Alpha Vacua

    E-Print Network [OSTI]

    Goldstein, K

    2005-01-01T23:59:59.000Z

    Inspired by recent evidence for a positive cosmological constant, this thesis considers some of the implications of trying to incorporate approximately seventy percent of the universe, namely dark energy, consistently into quantum field theory on a curved background. Such considerations may have implications for inflation, the understanding of dark energy at the present time and finally the challenging topic of trying to incorporate a positive cosmological constant into string theory. We will mainly examine various aspects of the one parameter family of de Sitter invariant states—the so called ?-vacua. On the phenomenological side, not only could such states provide a window into trans-planckian physics through their imprint on the cosmological microwave background (CMB), but they may also be a source of ultra-high energy cosmic rays (UHECR) at the present time. From a purely theoretical perspective, formulating interacting quantum field theory in these states is a challenging problem whic...

  2. Noncommutative version of Borcherds' approach to quantum field theory

    E-Print Network [OSTI]

    Christian Brouder; Nguyen Viet Dang; Alessandra Frabetti

    2015-01-31T23:59:59.000Z

    Richard Borcherds proposed an elegant geometric version of renormalized perturbative quantum field theory in curved spacetimes, where Lagrangians are sections of a Hopf algebra bundle over a smooth manifold. However, this framework looses its geometric meaning when Borcherds introduces a (graded) commutative normal product. We present a fully geometric version of Borcherds' quantization where the (external) tensor product plays the role of the normal product. We construct a noncommutative many-body Hopf algebra and a module over it which contains all the terms of the perturbative expansion and we quantize it to recover the expectation values of standard quantum field theory when the Hopf algebra fiber is (graded) cocommutative. This construction enables to the second quantize any theory described by a cocommutative Hopf algebra bundle.

  3. Open quantum systems and random matrix theory

    SciTech Connect (OSTI)

    Mulhall, Declan [Department of Physics/Engineering, University of Scranton, Scranton, Pennsylvania 18510-4642 (United States)

    2014-10-15T23:59:59.000Z

    A simple model for open quantum systems is analyzed with RMT. The system is coupled to the continuum in a minimal way. In this paper we see the effect of opening the system on the level statistics, in particular the level spacing, width distribution and ?{sub 3}(L) statistic are examined as a function of the strength of this coupling. The usual super-radiant state is observed, and it is seen that as it is formed, the level spacing and ?{sub 3}(L) statistic exhibit the signatures of missed levels.

  4. Negative-frequency modes in quantum field theory

    E-Print Network [OSTI]

    Dickinson, Robert; Millington, Peter

    2015-01-01T23:59:59.000Z

    We consider a departure from standard quantum field theory, constructed so as to permit momentum eigenstates of both positive and negative energy. The resulting theory is intriguing because it brings about the cancellation of leading ultra-violet divergences and the absence of a zero-point energy. The theory gives rise to tree-level source-to-source transition amplitudes that are manifestly causal and consistent with standard S-matrix elements. It also leads to the usual result for the oblique corrections to the standard electroweak theory. Remarkably, the latter agreement relies on the breakdown of naive perturbation theory due to resonance effects. It remains to be shown that there are no problems with perturbative unitarity.

  5. Negative-frequency modes in quantum field theory

    E-Print Network [OSTI]

    Robert Dickinson; Jeff Forshaw; Peter Millington

    2015-03-06T23:59:59.000Z

    We consider a departure from standard quantum field theory, constructed so as to permit momentum eigenstates of both positive and negative energy. The resulting theory is intriguing because it brings about the cancellation of leading ultra-violet divergences and the absence of a zero-point energy. The theory gives rise to tree-level source-to-source transition amplitudes that are manifestly causal and consistent with standard S-matrix elements. It also leads to the usual result for the oblique corrections to the standard electroweak theory. Remarkably, the latter agreement relies on the breakdown of naive perturbation theory due to resonance effects. It remains to be shown that there are no problems with perturbative unitarity.

  6. Mirror-induced decoherence in hybrid quantum-classical theory

    E-Print Network [OSTI]

    Aniello Lampo; Lorenzo Fratino; Hans-Thomas Elze

    2014-10-16T23:59:59.000Z

    We re-analyse the optomechanical interferometer experiment proposed by Marshall, Simon, Penrose and Bouwmeester with the help of a recently developed quantum-classical hybrid theory. This leads to an alternative evaluation of the mirror induced decoherence. Surprisingly, we find that it behaves essentially in the same way for suitable initial conditions and experimentally relevant parameters, no matter whether the mirror is considered a classical or quantum mechanical object. We discuss the parameter ranges where this result holds and possible implications for a test of spontaneous collapse models, for which this experiment has been designed.

  7. Noncommutative Gravity and Quantum Field Theory on Noncommutative Curved Spacetimes

    E-Print Network [OSTI]

    Alexander Schenkel

    2012-10-03T23:59:59.000Z

    The focus of this PhD thesis is on applications, new developments and extensions of the noncommutative gravity theory proposed by Julius Wess and his group. In part one we propose an extension of the usual symmetry reduction procedure to noncommutative gravity. We classify in the case of abelian Drinfel'd twists all consistent deformations of spatially flat Friedmann-Robertson-Walker cosmologies and of the Schwarzschild black hole. The deformed symmetry structure allows us to obtain exact solutions of the noncommutative Einstein equations in many of our models. In part two we develop a new formalism for quantum field theory on noncommutative curved spacetimes by combining methods from the algebraic approach to quantum field theory with noncommutative differential geometry. We also study explicit examples of deformed wave operators and find that there can be noncommutative corrections even on the level of free field theories. The convergent deformation of simple toy models is investigated and it is found that these theories have an improved behaviour at short distances, i.e. in the ultraviolet. In part three we study homomorphisms between and connections on noncommutative vector bundles. We prove that all homomorphisms and connections of the deformed theory can be obtained by applying a quantization isomorphism to undeformed homomorphisms and connections. The extension of homomorphisms and connections to tensor products of bimodules is clarified. As a nontrivial application of the new mathematical formalism we extend our studies of exact noncommutative gravity solutions to more general deformations.

  8. Untwisting Noncommutative R^d and the Equivalence of Quantum Field Theories

    E-Print Network [OSTI]

    Robert Oeckl

    2000-03-13T23:59:59.000Z

    We show that there is a duality exchanging noncommutativity and non-trivial statistics for quantum field theory on R^d. Employing methods of quantum groups, we observe that ordinary and noncommutative R^d are related by twisting. We extend the twist to an equivalence for quantum field theory using the framework of braided quantum field theory. The twist exchanges both commutativity with noncommutativity and ordinary with non-trivial statistics. The same holds for the noncommutative torus.

  9. Schwinger functions in noncommutative quantum field theory

    E-Print Network [OSTI]

    Dorothea Bahns

    2009-08-31T23:59:59.000Z

    It is shown that the $n$-point functions of scalar massive free fields on the noncommutative Minkowski space are distributions which are boundary values of analytic functions. Contrary to what one might expect, this construction does not provide a connection to the popular traditional Euclidean approach to noncommutative field theory (unless the time variable is assumed to commute). Instead, one finds Schwinger functions with twistings involving only momenta that are on the mass-shell. This explains why renormalization in the traditional Euclidean noncommutative framework crudely differs from renormalization in the Minkowskian regime.

  10. Quantum statistical correlations in thermal field theories: Boundary effective theory

    SciTech Connect (OSTI)

    Bessa, A. [Escola de Ciencias e Tecnologia, Universidade Federal do Rio Grande do Norte, Caixa Postal 1524, 59072-970, Natal, RN (Brazil); Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, 05315-970, Sao Paulo, SP (Brazil); Brandt, F. T. [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, 05315-970, Sao Paulo, SP (Brazil); Carvalho, C. A. A. de; Fraga, E. S. [Instituto de Fisica, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, 21941-972, Rio de Janeiro, RJ (Brazil)

    2010-09-15T23:59:59.000Z

    We show that the one-loop effective action at finite temperature for a scalar field with quartic interaction has the same renormalized expression as at zero temperature if written in terms of a certain classical field {phi}{sub c}, and if we trade free propagators at zero temperature for their finite-temperature counterparts. The result follows if we write the partition function as an integral over field eigenstates (boundary fields) of the density matrix element in the functional Schroedinger field representation, and perform a semiclassical expansion in two steps: first, we integrate around the saddle point for fixed boundary fields, which is the classical field {phi}{sub c}, a functional of the boundary fields; then, we perform a saddle-point integration over the boundary fields, whose correlations characterize the thermal properties of the system. This procedure provides a dimensionally reduced effective theory for the thermal system. We calculate the two-point correlation as an example.

  11. Nonlocal microscopic theory of quantum friction between parallel metallic slabs

    SciTech Connect (OSTI)

    Despoja, Vito [Donostia International Physics Center (DIPC), P. Manuel de Lardizabal, E-20018 San Sebastian, Basque Country (Spain); Department of Physics, University of Zagreb, Bijenicka 32, HR-10000 Zagreb (Croatia); Departamento de Fisica de Materiales and Centro Mixto CSIC-UPV/EHU, Facultad de Ciencias Quimicas, Universidad del Pais Vasco UPV/EHU, Apto. 1072, E-20080 San Sebastian, Basque Country (Spain); Echenique, Pedro M. [Donostia International Physics Center (DIPC), P. Manuel de Lardizabal, E-20018 San Sebastian, Basque Country (Spain); Departamento de Fisica de Materiales and Centro Mixto CSIC-UPV/EHU, Facultad de Ciencias Quimicas, Universidad del Pais Vasco UPV/EHU, Apto. 1072, E-20080 San Sebastian, Basque Country (Spain); Sunjic, Marijan [Donostia International Physics Center (DIPC), P. Manuel de Lardizabal, E-20018 San Sebastian, Basque Country (Spain); Department of Physics, University of Zagreb, Bijenicka 32, HR-10000 Zagreb (Croatia)

    2011-05-15T23:59:59.000Z

    We present a new derivation of the friction force between two metallic slabs moving with constant relative parallel velocity, based on T=0 quantum-field theory formalism. By including a fully nonlocal description of dynamically screened electron fluctuations in the slab, and avoiding the usual matching-condition procedure, we generalize previous expressions for the friction force, to which our results reduce in the local limit. Analyzing the friction force calculated in the two local models and in the nonlocal theory, we show that for physically relevant velocities local theories using the plasmon and Drude models of dielectric response are inappropriate to describe friction, which is due to excitation of low-energy electron-hole pairs, which are properly included in nonlocal theory. We also show that inclusion of dissipation in the nonlocal electronic response has negligible influence on friction.

  12. Categorical Operator Algebraic Foundations of Relational Quantum Theory

    E-Print Network [OSTI]

    Paolo Bertozzini

    2014-12-23T23:59:59.000Z

    We provide an algebraic formulation of C.Rovelli's relational quantum theory that is based on suitable notions of "non-commutative" higher operator categories, originally developed in the study of categorical non-commutative geometry. As a way to implement C.Rovelli's original intuition on the relational origin of space-time, in the context of our proposed algebraic approach to quantum gravity via Tomita-Takesaki modular theory, we tentatively suggest to use this categorical formalism in order to spectrally reconstruct non-commutative relational space-time geometries from categories of correlation bimodules between operator algebras of observables. Parts of this work are joint collaborations with: Dr.Roberto Conti (Sapienza Universita' di Roma), Assoc.Prof.Wicharn Lewkeeratiyutkul (Chulalongkorn University, Bangkok), Dr.Rachel Dawe Martins (Istituto Superior Tecnico, Lisboa), Dr.Matti Raasakka (Paris 13 University), Dr.Noppakhun Suthichitranont.

  13. Quantum tomography meets dynamical systems and bifurcations theory

    SciTech Connect (OSTI)

    Goyeneche, D., E-mail: dardo.goyeneche@cefop.udec.cl [Departamento de Fisíca, Universidad de Concepción, Casilla 160-C, Concepción, Chile and Center for Optics and Photonics, Universidad de Concepción, Casilla 4012, Concepción (Chile); Torre, A. C. de la [Departamento de Física, Universidad Nacional de Mar del Plata, IFIMAR-CONICET, Dean Funes 3350, 7600 Mar del Plata (Argentina)

    2014-06-15T23:59:59.000Z

    A powerful tool for studying geometrical problems in Hilbert spaces is developed. We demonstrate the convergence and robustness of our method in every dimension by considering dynamical systems theory. This method provides numerical solutions to hard problems involving many coupled nonlinear equations in low and high dimensions (e.g., quantum tomography problem, existence and classification of Pauli partners, mutually unbiased bases, complex Hadamard matrices, equiangular tight frames, etc.). Additionally, this tool can be used to find analytical solutions and also to implicitly prove the existence of solutions. Here, we develop the theory for the quantum pure state tomography problem in finite dimensions but this approach is straightforwardly extended to the rest of the problems. We prove that solutions are always attractive fixed points of a nonlinear operator explicitly given. As an application, we show that the statistics collected from three random orthonormal bases is enough to reconstruct pure states from experimental (noisy) data in every dimension d ? 32.

  14. Quantum field theory for condensation of bosons and fermions

    SciTech Connect (OSTI)

    De Souza, Adriano N.; Filho, Victo S. [Laboratorio de Fisica Teorica e Computacional (LFTC), Universidade Cruzeiro do Sul, 01506-000, Sao Paulo (Brazil)

    2013-03-25T23:59:59.000Z

    In this brief review, we describe the formalism of the quantum field theory for the analysis of the condensation phenomenon in bosonic systems, by considering the cases widely verified in laboratory of trapped gases as condensate states, either with attractive or with repulsive two-body interactions. We review the mathematical formulation of the quantum field theory for many particles in the mean-field approximation, by adopting contact interaction potential. We also describe the phenomenon of condensation in the case of fermions or the degenerate Fermi gas, also verified in laboratory in the crossover BEC-BCS limit. We explain that such a phenomenon, equivalent to the bosonic condensation, can only occur if we consider the coupling of particles in pairs behaving like bosons, as occurs in the case of Cooper's pairs in superconductivity.

  15. Noncommutative deformations of quantum field theories, locality, and causality

    E-Print Network [OSTI]

    Michael A. Soloviev

    2010-12-16T23:59:59.000Z

    We investigate noncommutative deformations of quantum field theories for different star products, particularly emphasizing the locality properties and the regularity of the deformed fields. Using functional analysis methods, we describe the basic structural features of the vacuum expectation values of star-modified products of fields and field commutators. As an alternative to microcausality, we introduce a notion of $\\theta$-locality, where $\\theta$ is the noncommutativity parameter. We also analyze the conditions for the convergence and continuity of star products and define the function algebra that is most suitable for the Moyal and Wick-Voros products. This algebra corresponds to the concept of strict deformation quantization and is a useful tool for constructing quantum field theories on a noncommutative space-time.

  16. Quantum field theory in spaces with closed timelike curves

    SciTech Connect (OSTI)

    Boulware, D.G. (Department of Physics FM-15, University of Washington, Seattle, Washington 98195 (United States))

    1992-11-15T23:59:59.000Z

    Gott spacetime has closed timelike curves, but no locally anomalous stress energy. A complete orthonormal set of eigenfunctions of the wave operator is found in the special case of a spacetime in which the total deficit angle is 2{pi}. A scalar quantum field theory is constructed using these eigenfunctions. The resultant interacting quantum field theory is not unitary because the field operators can create real, on-shell, particles in the noncausal region. These particles propagate for finite proper time accumulating an arbitrary phase before being annihilated at the same spacetime point as that at which they were created. As a result, the effective potential within the noncausal region is complex, and probability is not conserved. The stress tensor of the scalar field is evaluated in the neighborhood of the Cauchy horizon; in the case of a sufficiently small Compton wavelength of the field, the stress tensor is regular and cannot prevent the formation of the Cauchy horizon.

  17. Loop Quantum Theory Applied to Biology and Nonlinear Whole Biology

    E-Print Network [OSTI]

    Yi-Fang Chang

    2008-01-02T23:59:59.000Z

    The loop quantum theory, which constitutes a very small discontinuous space, as new method is applied to biology. The model of protein folding and lungs is proposed. In the model, some known results are used, and four approximate conclusions are obtained: their structures are quantized, their space regions are finite, various singularities correspond to folding and crossed points, and different types of catastrophe exist. Further, based on the inseparability and correlativity of the biological systems, the nonlinear whole biology is proposed, and four basic hypotheses are formed. It may unify reductionism and holism, structuralism and functionalism. Finally, the medical meaning of the theory is discussed briefly.

  18. 3D gravity with dust: classical and quantum theory

    E-Print Network [OSTI]

    Viqar Husain; Jonathan Ziprick

    2015-06-02T23:59:59.000Z

    We study the Einstein gravity and dust system in three spacetime dimensions as an example of a non-perturbative quantum gravity model with local degrees of freedom. We derive the Hamiltonian theory in the dust time gauge and show that it has a rich class of exact solutions. These include the Ba\\~nados-Teitelboim-Zanelli black hole, static solutions with naked singularities and travelling wave solutions with dynamical horizons. We give a complete quantization of the wave sector of the theory, including a definition of a self-adjoint spacetime metric operator. This operator is used to demonstrate the quantization of deficit angle and the fluctuation of dynamical horizons.

  19. Test Functions Space in Noncommutative Quantum Field Theory

    E-Print Network [OSTI]

    M. Chaichian; M. Mnatsakanova; A. Tureanu; Yu. Vernov

    2008-07-26T23:59:59.000Z

    It is proven that the $\\star$-product of field operators implies that the space of test functions in the Wightman approach to noncommutative quantum field theory is one of the Gel'fand-Shilov spaces $S^{\\beta}$ with $\\beta test functions smears the noncommutative Wightman functions, which are in this case generalized distributions, sometimes called hyperfunctions. The existence and determination of the class of the test function spaces in NC QFT is important for any rigorous treatment in the Wightman approach.

  20. Violation of no signaling in higher order quantum measure theories

    E-Print Network [OSTI]

    Karthik S. Joshi; R. Srikanth; Urbasi Sinha

    2013-08-28T23:59:59.000Z

    More general probability sum-rules for describing interference than found in quantum mechanics (QM) were formulated by Sorkin in a hierarchy of such rules. The additivity of classical measure theory corresponds to the second sum-rule. QM violates this rule, but satisfies the third and higher sum-rules. This evokes the question of whether there are physical principles that forbid their violation. We show that under certain assumptions, violation of higher sum-rules allows for superluminal signaling.

  1. Theory of dynamic nuclear polarization and feedback in quantum dots

    E-Print Network [OSTI]

    Sophia E. Economou; Edwin Barnes

    2014-04-06T23:59:59.000Z

    An electron confined in a quantum dot interacts with its local nuclear spin environment through the hyperfine contact interaction. This interaction combined with external control and relaxation or measurement of the electron spin allows for the generation of dynamic nuclear polarization. The quantum nature of the nuclear bath, along with the interplay of coherent external fields and incoherent dynamics in these systems renders a wealth of intriguing phenomena seen in recent experiments such as electron Zeeman frequency focusing, hysteresis, and line dragging. We develop in detail a fully quantum, self-consistent theory that can be applied to such experiments and that moreover has predictive power. Our theory uses the operator sum representation formalism in order to incorporate the incoherent dynamics caused by the additional, Markovian bath, which in self-assembled dots is the vacuum field responsible for electron-hole optical recombination. The beauty of this formalism is that it reduces the complexity of the problem by encoding the joint dynamics of the external coherent and incoherent driving in an effective dynamical map that only acts on the electron spin subspace. This together with the separation of timescales in the problem allows for a tractable and analytically solvable formalism. The key role of entanglement between the electron spin and the nuclear spins in the formation of dynamic nuclear polarization naturally follows from our solution. We demonstrate the theory in detail for an optical pulsed experiment and present an in-depth discussion and physical explanation of our results.

  2. A New Look at the Position Operator in Quantum Theory

    E-Print Network [OSTI]

    Felix M. Lev

    2015-01-07T23:59:59.000Z

    The postulate that coordinate and momentum representations are related to each other by the Fourier transform has been accepted from the beginning of quantum theory by analogy with classical electrodynamics. As a consequence, an inevitable effect in standard theory is the wave packet spreading (WPS) of the photon coordinate wave function in directions perpendicular to the photon momentum. This leads to the following paradoxes: if the major part of photons emitted by stars are in wave packet states (what is the most probable scenario) then we should see not separate stars but only an almost continuous background from all stars; no anisotropy of the CMB radiation should be observable; data on gamma-ray bursts, signals from directional radio antennas (in particular, in experiments on Shapiro delay) and signals from pulsars show no signs of WPS. In addition, a problem arises why there are no signs of WPS for protons in the LHC ring. We argue that the above postulate is based neither on strong theoretical arguments nor on experimental data and propose a new consistent definition of the position operator. Then WPS in directions perpendicular to the particle momentum is absent and the paradoxes are resolved. Different components of the new position operator do not commute with each other and, as a consequence, there is no wave function in coordinate representation. Implications of the results for entanglement, quantum locality and the problem of time in quantum theory are discussed.

  3. Quantum Defect Theory for Cold Chemistry with Product Quantum State Resolution

    E-Print Network [OSTI]

    Hazra, Jisha; Bohn, John L; Balakrishnan, N

    2014-01-01T23:59:59.000Z

    We present a formalism for cold and ultracold atom-diatom chemical reactions that combines a quantum close-coupling method at short-range with quantum defect theory at long-range. The method yields full state-to-state rovibrationally resolved cross sections as in standard close-coupling (CC) calculations but at a considerably less computational expense. This hybrid approach exploits the simplicity of MQDT while treating the short-range interaction explicitly using quantum CC calculations. The method, demonstrated for D+H$_2\\to$ HD+H collisions with rovibrational quantum state resolution of the HD product, is shown to be accurate for a wide range of collision energies and initial conditions. The hybrid CC-MQDT formalism may provide an alternative approach to full CC calculations for cold and ultracold reactions.

  4. The Quantum Spin Hall Effect: Theory and Experiment

    SciTech Connect (OSTI)

    Konig, Markus; Buhmann, Hartmut; Molenkamp, Laurens W.; /Wurzburg U.; Hughes, Taylor L.; /Stanford U., Phys. Dept.; Liu, Chao-Xing; /Tsinghua U., Beijing /Stanford U., Phys. Dept.; Qi, Xiao-Liang; Zhang, Shou-Cheng; /Stanford U., Phys. Dept.

    2010-03-19T23:59:59.000Z

    The search for topologically non-trivial states of matter has become an important goal for condensed matter physics. Recently, a new class of topological insulators has been proposed. These topological insulators have an insulating gap in the bulk, but have topologically protected edge states due to the time reversal symmetry. In two dimensions the helical edge states give rise to the quantum spin Hall (QSH) effect, in the absence of any external magnetic field. Here we review a recent theory which predicts that the QSH state can be realized in HgTe/CdTe semiconductor quantum wells. By varying the thickness of the quantum well, the band structure changes from a normal to an 'inverted' type at a critical thickness d{sub c}. We present an analytical solution of the helical edge states and explicitly demonstrate their topological stability. We also review the recent experimental observation of the QSH state in HgTe/(Hg,Cd)Te quantum wells. We review both the fabrication of the sample and the experimental setup. For thin quantum wells with well width d{sub QW} < 6.3 nm, the insulating regime shows the conventional behavior of vanishingly small conductance at low temperature. However, for thicker quantum wells (d{sub QW} > 6.3 nm), the nominally insulating regime shows a plateau of residual conductance close to 2e{sup 2}/h. The residual conductance is independent of the sample width, indicating that it is caused by edge states. Furthermore, the residual conductance is destroyed by a small external magnetic field. The quantum phase transition at the critical thickness, d{sub c} = 6.3 nm, is also independently determined from the occurrence of a magnetic field induced insulator to metal transition.

  5. Multi-time wave functions for quantum field theory

    SciTech Connect (OSTI)

    Petrat, Sören, E-mail: petrat@math.lmu.de [Mathematisches Institut, Ludwig-Maximilians-Universität, Theresienstr. 39, 80333 München (Germany); Tumulka, Roderich, E-mail: tumulka@math.rutgers.edu [Department of Mathematics, Rutgers University, 110 Frelinghuysen Road, Piscataway, NJ 08854-8019 (United States)

    2014-06-15T23:59:59.000Z

    Multi-time wave functions such as ?(t{sub 1},x{sub 1},…,t{sub N},x{sub N}) have one time variable t{sub j} for each particle. This type of wave function arises as a relativistic generalization of the wave function ?(t,x{sub 1},…,x{sub N}) of non-relativistic quantum mechanics. We show here how a quantum field theory can be formulated in terms of multi-time wave functions. We mainly consider a particular quantum field theory that features particle creation and annihilation. Starting from the particle–position representation of state vectors in Fock space, we introduce multi-time wave functions with a variable number of time variables, set up multi-time evolution equations, and show that they are consistent. Moreover, we discuss the relation of the multi-time wave function to two other representations, the Tomonaga–Schwinger representation and the Heisenberg picture in terms of operator-valued fields on space–time. In a certain sense and under natural assumptions, we find that all three representations are equivalent; yet, we point out that the multi-time formulation has several technical and conceptual advantages. -- Highlights: •Multi-time wave functions are manifestly Lorentz-covariant objects. •We develop consistent multi-time equations with interaction for quantum field theory. •We discuss in detail a particular model with particle creation and annihilation. •We show how multi-time wave functions are related to the Tomonaga–Schwinger approach. •We show that they have a simple representation in terms of operator valued fields.

  6. The Electromagnetic Quantum Gravity Theory On Quantum Inertia and the Einstein Principle of Equivalence

    E-Print Network [OSTI]

    Ostoma, T; Ostoma, Tom; Trushyk, Mike

    1999-01-01T23:59:59.000Z

    On a new approach to quantum gravity called Electro-Magnetic Quantum Gravity (EMQG) which is manifestly compatible with Cellular Automata (CA) theory and is based on a new theory of inertia (ref. 5) proposed by R. Haisch, A. Rueda, and H. Puthoff (which we modified and called Quantum Inertia). Newtonian Inertia is due to the strictly local electrical force interactions of matter with the surrounding charged virtual particles of the quantum vacuum. The sum of all the tiny electrical forces originating from each charged particle in the mass with respect to the vacuum, is the source of the total inertial force of a mass which opposes accelerated motion in Newton's law 'F = MA'. The problems and paradoxes of accelerated motion introduced in Mach's principle are solved by suggesting that the state of acceleration of the charged virtual particles of the quantum vacuum (with respect to a mass) serves as Newton's universal reference frame for the mass. Einstein's principle of equivalence of inertial and gravitational...

  7. Construction of Quantum Field Theories with Factorizing S-Matrices

    E-Print Network [OSTI]

    Gandalf Lechner

    2007-02-12T23:59:59.000Z

    A new approach to the construction of interacting quantum field theories on two-dimensional Minkowski space is discussed. In this program, models are obtained from a prescribed factorizing S-matrix in two steps. At first, quantum fields which are localized in infinitely extended, wedge-shaped regions of Minkowski space are constructed explicitly. In the second step, local observables are analyzed with operator-algebraic techniques, in particular by using the modular nuclearity condition of Buchholz, d'Antoni and Longo. Besides a model-independent result regarding the Reeh-Schlieder property of the vacuum in this framework, an infinite class of quantum field theoretic models with non-trivial interaction is constructed. This construction completes a program initiated by Schroer in a large family of theories, a particular example being the Sinh-Gordon model. The crucial problem of establishing the existence of local observables in these models is solved by verifying the modular nuclearity condition, which here amounts to a condition on analytic properties of form factors of observables localized in wedge regions. It is shown that the constructed models solve the inverse scattering problem for the considered class of S-matrices. Moreover, a proof of asymptotic completeness is obtained by explicitly computing total sets of scattering states. The structure of these collision states is found to be in agreement with the heuristic formulae underlying the Zamolodchikov-Faddeev algebra.

  8. Noncommutative Common Cause Principles in algebraic quantum field theory

    SciTech Connect (OSTI)

    Hofer-Szabo, Gabor [Research Center for the Humanities, Budapest (Hungary)] [Research Center for the Humanities, Budapest (Hungary); Vecsernyes, Peter [Wigner Research Centre for Physics, Budapest (Hungary)] [Wigner Research Centre for Physics, Budapest (Hungary)

    2013-04-15T23:59:59.000Z

    States in algebraic quantum field theory 'typically' establish correlation between spacelike separated events. Reichenbach's Common Cause Principle, generalized to the quantum field theoretical setting, offers an apt tool to causally account for these superluminal correlations. In the paper we motivate first why commutativity between the common cause and the correlating events should be abandoned in the definition of the common cause. Then we show that the Noncommutative Weak Common Cause Principle holds in algebraic quantum field theory with locally finite degrees of freedom. Namely, for any pair of projections A, B supported in spacelike separated regions V{sub A} and V{sub B}, respectively, there is a local projection C not necessarily commuting with A and B such that C is supported within the union of the backward light cones of V{sub A} and V{sub B} and the set {l_brace}C, C{sup Up-Tack }{r_brace} screens off the correlation between A and B.

  9. Quantum Theory Allows Measurement of Non-Hermitian Operators

    E-Print Network [OSTI]

    Arun Kumar Pati; Uttam Singh; Urbasi Sinha

    2014-06-11T23:59:59.000Z

    In quantum theory, a physical observable is represented by a Hermitian operator as it admits real eigenvalues. This stems from the fact that any measuring apparatus that is supposed to measure a physical observable will always yield a real number. However, reality of eigenvalue of some operator does not mean that it is necessarily Hermitian. There are examples of non-Hermitian operators which may admit real eigenvalues under some symmetry conditions. One may wonder if there is any way to measure a non-Hermitian operator, for example, the average of a non-Hermitian operator in a quantum state. We show that quantum theory allows direct measurement of any non-Hermitian operator via the weak measurement. The average of a non-Hermitian operator in a pure state is a complex multiple of the weak value of the positive semi-definite part of the non-Hermitian operator. We also prove a new uncertainty relation for any two non-Hermitian operators and illustrate this for the creation and annihilation operators, and the Kraus operators.

  10. Notes on the firewall paradox, complexity, and quantum theory

    E-Print Network [OSTI]

    Karl-Georg Schlesinger

    2015-02-16T23:59:59.000Z

    We investigate what it means to apply the solution, proposed to the firewall paradox by Harlow and Hayden, to the famous quantum paradoxes of Sch\\"odinger's Cat and Wigner's Friend if ones views these as posing a thermodynamic decoding problem (as does Hawking radiation in the firewall paradox). The implications might point to a relevance of the firewall paradox for the axiomatic and set theoretic foundations underlying mathematics. We reconsider in this context the results of Benioff on the foundational challenges posed by the randomness postulate of quantum theory. A central point in our discussion is that one can mathematically not naturally distinguish between computational complexity (as central to the approach of Harlow and Hayden and further developed by Susskind) and proof theoretic complexity (since they represent the same concept on a Turing machine), with the latter being related to a finite bound on Kolmogorov entropy (due to Chaitin incompleteness).

  11. Inequivalence of quantum field theories on noncommutative spacetimes: Moyal versus Wick-Voros planes

    SciTech Connect (OSTI)

    Balachandran, A. P. [Department of Physics, Syracuse University, Syracuse, New York 13244-1130 (United States); Departamento de Matematicas, Universidad Carlos III de Madrid, 28911 Leganes, Madrid (Spain); Ibort, A. [Departamento de Matematicas, Universidad Carlos III de Madrid, 28911 Leganes, Madrid (Spain); Marmo, G. [Dipartimento di Scienze Fisiche, University of Napoli and INFN, Via Cinthia I-80126 Napoli (Italy); Martone, M. [Department of Physics, Syracuse University, Syracuse, New York 13244-1130 (United States); Dipartimento di Scienze Fisiche, University of Napoli and INFN, Via Cinthia I-80126 Napoli (Italy)

    2010-04-15T23:59:59.000Z

    In this paper, we further develop the analysis started in an earlier paper on the inequivalence of certain quantum field theories on noncommutative spacetimes constructed using twisted fields. The issue is of physical importance. Thus it is well known that the commutation relations among spacetime coordinates, which define a noncommutative spacetime, do not constrain the deformation induced on the algebra of functions uniquely. Such deformations are all mathematically equivalent in a very precise sense. Here we show how this freedom at the level of deformations of the algebra of functions can fail on the quantum field theory side. In particular, quantum field theory on the Wick-Voros and Moyal planes are shown to be inequivalent in a few different ways. Thus quantum field theory calculations on these planes will lead to different physics even though the classical theories are equivalent. This result is reminiscent of chiral anomaly in gauge theories and has obvious physical consequences. The construction of quantum field theories on the Wick-Voros plane has new features not encountered for quantum field theories on the Moyal plane. In fact it seems impossible to construct a quantum field theory on the Wick-Voros plane which satisfies all the properties needed of field theories on noncommutative spaces. The Moyal twist seems to have unique features which make it a preferred choice for the construction of a quantum field theory on a noncommutative spacetime.

  12. The trouble with orbits: the Stark effect in the old and the new quantum theory

    E-Print Network [OSTI]

    Anthony Duncan; Michel Janssen

    2014-04-21T23:59:59.000Z

    The old quantum theory and Schr\\"odinger's wave mechanics (and other forms of quantum mechanics) give the same results for the line splittings in the first-order Stark effect in hydrogen, the leading terms in the splitting of the spectral lines emitted by a hydrogen atom in an external electric field. We examine the account of the effect in the old quantum theory, which was hailed as a major success of that theory, from the point of view of wave mechanics. First, we show how the new quantum mechanics solves a fundamental problem one runs into in the old quantum theory with the Stark effect. It turns out that, even without an external field, it depends on the coordinates in which the quantum conditions are imposed which electron orbits are allowed in a hydrogen atom. The allowed energy levels and hence the line splittings are independent of the coordinates used but the size and eccentricity of the orbits are not. In the new quantum theory, this worrisome non-uniqueness of orbits turns into the perfectly innocuous non-uniqueness of bases in Hilbert space. Second, we review how the so-called WKB (Wentzel-Kramers-Brillouin) approximation method for solving the Schr\\"odinger equation reproduces the quantum conditions of the old quantum theory amended by some additional half-integer terms. These extra terms remove the need for some arbitrary extra restrictions on the allowed orbits that the old quantum theory required over and above the basic quantum conditions

  13. Quantum Field Theory in de Sitter Universe: Ambient Space Formalism

    E-Print Network [OSTI]

    Mohammad Vahid Takook

    2014-09-03T23:59:59.000Z

    Quantum field theory in the $4$-dimensional de Sitter space-time is constructed on a unique Bunch-Davies vacuum state in the ambient space formalism in a rigorous mathematical framework. This work is based on the group representation theory and the analyticity of the complexified pseudo-Riemannian manifolds. The unitary irreducible representations of de Sitter group and their corresponding Hilbert spaces are reformulated in the ambient space formalism. Defining the creation and annihilation operators, quantum field operators and their corresponding analytic two-point functions for various spin fields ($s=0,\\frac{1}{2},1,\\frac{3}{2}, 2$) have been constructed. The various spin massless fields can be constructed in terms of the massless conformally coupled scalar field in this formalism. Then the quantum massless minimally coupled scalar field operator, for the first time, is also constructed on Bunch-Davies vacuum state which preserve the analyticity. We show that the massless fields with $s\\leq 2$ can only propagate in de Sitter ambient space formalism. The massless gauge invariant field equations with $s=1, \\frac{3}{2}, 2$ are studied by using the gauge principle. The conformal quantum spin-$2$ field, based on the gauge gravity model, is studied. The gauge spin-$\\frac{3}{2}$ fields satisfy the Grassmannian algebra, and hence, naturally provoke one to couple them with the gauge spin-$2$ field and the super-algebra is automatically appeared. We conclude that the gravitational field may be constructed by three parts, namely, the de Sitter background, the gauge spin-$2$ field and the gauge spin-$\\frac{3}{2}$ field.

  14. Double-Slit Experiment and Quantum Theory Event-Probability Interpretation

    E-Print Network [OSTI]

    G. Quznetsov

    2010-02-18T23:59:59.000Z

    In this article the propagation of pointlike event probabilities in space is considered. Double-Slit experiment is described in detail. New interpretation of Quantum Theory is formulated.

  15. Quantum Jet Theory, Observer Dependence, and Multi-dimensional Virasoro algebra

    E-Print Network [OSTI]

    T. A. Larsson

    2009-09-15T23:59:59.000Z

    We review some key features of Quantum Jet Theory: observer dependence, multi-dimensional Virasoro algebra, and the prediction that spacetime has four dimensions.

  16. Toward an axiomatic formulation of noncommutative quantum field theory

    SciTech Connect (OSTI)

    Chaichian, M.; Tureanu, A. [Department of Physics, University of Helsinki, P.O. Box 64, FIN-00014 Helsinki (Finland); Mnatsakanova, M. N. [Skobeltsyn Institute of Nuclear Physics, Moscow State University, 119992 Vorobyevy Gory, Moscow (Russian Federation); Nishijima, K. [Department of Physics, University of Tokyo 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Vernov, Yu. S. [Institute for Nuclear Research, Russian Academy of Sciences, 60th October Anniversary prospect 7a, 117312 Moscow (Russian Federation)

    2011-03-15T23:59:59.000Z

    We propose new Wightman functions as vacuum expectation values of products of field operators in the noncommutative space-time. These Wightman functions involve the *-product among the fields, compatible with the twisted Poincare symmetry of the noncommutative quantum field theory (NC QFT). In the case of only space-space noncommutativity ({theta}{sub 0i}= 0), we prove the CPT theorem using the noncommutative form of the Wightman functions. We also show that the spin-statistics theorem, demonstrated for the simplest case of a scalar field, holds in NC QFT within this formalism.

  17. "Einstein's Dream" - Quantum Mechanics as Theory of Classical Random Fields

    E-Print Network [OSTI]

    Andrei Khrennikov

    2012-04-22T23:59:59.000Z

    This is an introductory chapter of the book in progress on quantum foundations and incompleteness of quantum mechanics. Quantum mechanics is represented as statistical mechanics of classical fields.

  18. UV finite field theories on noncommutative spacetimes: The quantum Wick product and time independent perturbation theory

    SciTech Connect (OSTI)

    Kossow, Marcel [I. Institut fuer Theoretische Physik, Universitaet Hamburg, Jungiusstrasse 9, D - 20355 Hamburg (Germany)

    2008-03-15T23:59:59.000Z

    An energy correction is calculated in the time-independent perturbation setup using a regularized ultraviolet finite Hamiltonian on the noncommutative Minkowski space. The correction to the energy is invariant under rotation and translation but is not Lorentz covariant, and this leads to a distortion of the dispersion relation. In the limit where the noncommutativity vanishes, the common quantum field theory on the commutative Minkowski space is reobtained. The calculations are restricted to the regularized cubic interaction.

  19. Phase space theory of quantum–classical systems with nonlinear and stochastic dynamics

    SciTech Connect (OSTI)

    Buri?, Nikola, E-mail: buric@ipb.ac.rs; Popovi?, Duška B.; Radonji?, Milan; Prvanovi?, Slobodan

    2014-04-15T23:59:59.000Z

    A novel theory of hybrid quantum–classical systems is developed, utilizing the mathematical framework of constrained dynamical systems on the quantum–classical phase space. Both, the quantum and classical descriptions of the respective parts of the hybrid system are treated as fundamental. Therefore, the description of the quantum–classical interaction has to be postulated, and includes the effects of neglected degrees of freedom. Dynamical law of the theory is given in terms of nonlinear stochastic differential equations with Hamiltonian and gradient terms. The theory provides a successful dynamical description of the collapse during quantum measurement. -- Highlights: •A novel theory of quantum–classical systems is developed. •Framework of quantum constrained dynamical systems is used. •A dynamical description of the measurement induced collapse is obtained.

  20. Matter-enhanced transition probabilities in quantum field theory

    SciTech Connect (OSTI)

    Ishikawa, Kenzo, E-mail: ishikawa@particle.sci.hokudai.ac.jp; Tobita, Yutaka

    2014-05-15T23:59:59.000Z

    The relativistic quantum field theory is the unique theory that combines the relativity and quantum theory and is invariant under the Poincaré transformation. The ground state, vacuum, is singlet and one particle states are transformed as elements of irreducible representation of the group. The covariant one particles are momentum eigenstates expressed by plane waves and extended in space. Although the S-matrix defined with initial and final states of these states hold the symmetries and are applied to isolated states, out-going states for the amplitude of the event that they are detected at a finite-time interval T in experiments are expressed by microscopic states that they interact with, and are surrounded by matters in detectors and are not plane waves. These matter-induced effects modify the probabilities observed in realistic situations. The transition amplitudes and probabilities of the events are studied with the S-matrix, S[T], that satisfies the boundary condition at T. Using S[T], the finite-size corrections of the form of 1/T are found. The corrections to Fermi’s golden rule become larger than the original values in some situations for light particles. They break Lorentz invariance even in high energy region of short de Broglie wave lengths. -- Highlights: •S-matrix S[T] for the finite-time interval in relativistic field theory. •S[T] satisfies the boundary condition and gives correction of 1/T . •The large corrections for light particles breaks Lorentz invariance. •The corrections have implications to neutrino experiments.

  1. Noncovalent interaction or chemical bonding between alkaline earth cations and benzene? A quantum chemistry study using

    E-Print Network [OSTI]

    Sussman, Joel L.

    Noncovalent interaction or chemical bonding between alkaline earth cations and benzene? A quantum earth metal ion±benzene complexes were performed using the density-functional theory (DFT) B3LYP and ab of the al- kaline earth metal ions to benzene may be attributed to s±p and p±p interactions, which are signi

  2. On general properties of Lorentz invariant formulation of noncommutative quantum field theory

    E-Print Network [OSTI]

    Sami Saxell

    2008-08-19T23:59:59.000Z

    We study general properties of certain Lorentz invariant noncommutative quantum field theories proposed in the literature. We show that causality in those theories does not hold, in contrast to the canonical noncommutative field theory with the light-wedge causality condition. This is the consequence of the infinite nonlocality of the theory getting spread in all spacetime directions. We also show that the time-ordered perturbation theory arising from the Hamiltonian formulation of noncommutative quantum field theories remains inequivalent to the covariant perturbation theory with usual Feynman rules even after restoration of Lorentz symmetry.

  3. Quantum mechanical observer and superstring/M theory

    E-Print Network [OSTI]

    M. Dance

    2008-12-31T23:59:59.000Z

    Terms are suggested for inclusion in a Lagrangian density as seen by an observer O2, to represent the dynamics of a quantum mechanical observer O1 that is an initial stage in an observation process. This paper extends an earlier paper which suggested that the centre-of-mass kinetic energy of O1 could correspond to, and possibly underlie, the Lagrangian density for bosonic string theory, where the worldsheet coordinates are the coordinates which O1 can observe. The present paper considers a fermion internal to O1, in addition to O1's centre of mass. It is suggested that quantum mechanical uncertainties in the transformation between O1's and O2's reference systems might require O2 to use $d$ spinor fields for this fermion, where $d$ is the number of spacetime dimensions. If this is the case, and if the symmetry/observability arguments in arXiv:hep-th/0601104 apply, the resulting Lagrangian density for the dynamics of O1 might resemble, or even underlie, superstring/M theory.

  4. Quantum Theory of Cavity-Assisted Sideband Cooling of Mechanical Motion Florian Marquardt,1

    E-Print Network [OSTI]

    Clerk, Aashish

    using bulk refrigeration, but it may be feasible using nonequilibrium cooling techniques analo- gousQuantum Theory of Cavity-Assisted Sideband Cooling of Mechanical Motion Florian Marquardt,1 Joe P (Received 22 January 2007; published 28 August 2007) We present a quantum-mechanical theory of the cooling

  5. DFT --Das Future Tool ``Das Future Tool'' was the title of the group T-shirt1 that we

    E-Print Network [OSTI]

    Ziegler, Tom

    TRIBUTE DFT -- Das Future Tool ``Das Future Tool'' was the title of the group T-shirt1 that we had article ``Approximate Density Functional Theory as a Practical Tool in Molecular Energetics and Dynamics and considered it just another semi-empirical method.2 Tom, however, realized that DFT was ``Das Future Tool

  6. Quantum Field Theory on the Noncommutative Plane with $E_q(2)$ Symmetry

    E-Print Network [OSTI]

    M. Chaichian; A. Demichev; P. Presnajder

    1999-04-20T23:59:59.000Z

    We study properties of a scalar quantum field theory on the two-dimensional noncommutative plane with $E_q(2)$ quantum symmetry. We start from the consideration of a firstly quantized quantum particle on the noncommutative plane. Then we define quantum fields depending on noncommutative coordinates and construct a field theoretical action using the $E_q(2)$-invariant measure on the noncommutative plane. With the help of the partial wave decomposition we show that this quantum field theory can be considered as a second quantization of the particle theory on the noncommutative plane and that this field theory has (contrary to the common belief) even more severe ultraviolet divergences than its counterpart on the usual commutative plane. Finally, we introduce the symmetry transformations of physical states on noncommutative spaces and discuss them in detail for the case of the $E_q(2)$ quantum group.

  7. Valley splitting theory of SiGe/Si/SiGe quantum wells Mark Friesen,1,

    E-Print Network [OSTI]

    Coppersmith, Susan N.

    Valley splitting theory of SiGe/Si/SiGe quantum wells Mark Friesen,1, * Sucismita Chutia,1 Charles an effective mass theory for SiGe/Si/SiGe quantum wells, with an emphasis on calculating the valley splitting interface, with characteristic energy splittings of order 0.1­1 meV for the case of SiGe/Si/SiGe quantum

  8. Schwinger's Quantum Action Principle: From Dirac's formulation through Feynman's path integrals, the Schwinger-Keldysh method, quantum field theory, to source theory

    E-Print Network [OSTI]

    Milton, K A

    2015-01-01T23:59:59.000Z

    Starting from the earlier notions of stationary action principles, we show how Julian Schwinger's Quantum Action Principle descended from Dirac's formulation, which independently led Feynman to his path-integral formulation of quantum mechanics. The connection between the two is brought out, and applications are discussed. The Keldysh-Schwinger time-cycle method of extracting matrix elements in nonequilibrium situations is described. The variational formulation of quantum field theory and the development of source theory constitute the latter part of this work. In this document, derived from Schwinger's lectures over four decades, the continuity of concepts, such as that of Green's functions, becomes apparent.

  9. Density Functional Theory (DFT) Simulated Annealing (SA)

    E-Print Network [OSTI]

    (x,y,z) Z(x,y,z) - $ %) % $% *) uzR )(YL Vycor ," (CaCO3) #12;( %) % $% *) ! "+!" %, $*$ , ­ #12;* (SiO2

  10. Towards quantum noncommutative {kappa}-deformed field theory

    SciTech Connect (OSTI)

    Daszkiewicz, Marcin; Lukierski, Jerzy; Woronowicz, Mariusz [Institute of Theoretical Physics, University of Wroclaw pl. Maxa Borna 9, 50-206 Wroclaw (Poland)

    2008-05-15T23:59:59.000Z

    We introduce a new {kappa}-star product describing the multiplication of quantized {kappa}-deformed free fields. The {kappa} deformation of local free quantum fields originates from two sources: noncommutativity of space-time and the {kappa} deformation of field oscillators algebra; we relate these two deformations. We demonstrate that for a suitable choice of {kappa}-deformed field oscillators algebra, the {kappa}-deformed version of the microcausality condition is satisfied, and it leads to the deformation of the Pauli-Jordan commutation function defined by the {kappa}-deformed mass shell. We show by constructing the {kappa}-deformed Fock space that the use of the {kappa}-deformed oscillator algebra permits one to preserve the bosonic statistics of n-particle states. The proposed star product is extended to the product of n fields, which for n=4 defines the interaction vertex in perturbative description of the noncommutative quantum {lambda}{phi}{sup 4} field theory. It appears that the classical four-momentum conservation law is satisfied at the interaction vertices.

  11. Quantum Space-Time and Noncommutative Gauge Field Theories

    E-Print Network [OSTI]

    Sami Saxell

    2009-09-17T23:59:59.000Z

    The three original publications in this thesis encompass various aspects in the still developing area of noncommutative quantum field theory, ranging from fundamental concepts to model building. One of the key features of noncommutative space-time is the apparent loss of Lorentz invariance that has been addressed in different ways in the literature. One recently developed approach is to eliminate the Lorentz violating effects by integrating over the parameter of noncommutativity. Fundamental properties of such theories are investigated in this thesis. Another issue addressed is model building, which is difficult in the noncommutative setting due to severe restrictions on the possible gauge symmetries imposed by the noncommutativity of the space-time. Possible ways to relieve these restrictions are investigated and applied and a noncommutative version of the Minimal Supersymmetric Standard Model is presented. While putting the results obtained in the three original publications into their proper context, the introductory part of this thesis aims to provide an overview of the present situation in the field.

  12. Analogue of the quantum total probability rule from Paraconsistent bayesian probability theory

    E-Print Network [OSTI]

    R. Salazar; C. Jara-Figueroa; A. Delgado

    2014-08-22T23:59:59.000Z

    We derive an analogue of the quantum total probability rule by constructing a probability theory based on paraconsistent logic. Bayesian probability theory is constructed upon classical logic and a desiderata, that is, a set of desired properties that the theory must obey. We construct a new probability theory following the desiderata of Bayesian probability theory but replacing the classical logic by paraconsistent logic. This class of logic has been conceived to handle eventual inconsistencies or contradictions among logical propositions without leading to the trivialisation of the theory. Within this Paraconsistent bayesian probability theory it is possible to deduce a new total probability rule which depends on the probabilities assigned to the inconsistencies. Certain assignments of values for these probabilities lead to expressions identical to those of Quantum mechanics, in particular to the quantum total probability rule obtained via symmetric informationally complete positive- operator valued measure.

  13. Orthogonal-state-based cryptography in quantum mechanics and local post-quantum theories

    E-Print Network [OSTI]

    S. Aravinda; Anindita Banerjee; Anirban Pathak; R. Srikanth

    2015-03-16T23:59:59.000Z

    We introduce the concept of cryptographic reduction, in analogy with a similar concept in computational complexity theory. In this framework, class $A$ of crypto-protocols reduces to protocol class $B$ in a scenario $X$, if for every instance $a$ of $A$, there is an instance $b$ of $B$ and a secure transformation $X$ that reproduces $a$ given $b$, such that the security of $b$ guarantees the security of $a$. Here we employ this reductive framework to study the relationship between security in quantum key distribution (QKD) and quantum secure direct communication (QSDC). We show that replacing the streaming of independent qubits in a QKD scheme by block encoding and transmission (permuting the order of particles block by block) of qubits, we can construct a QSDC scheme. This forms the basis for the \\textit{block reduction} from a QSDC class of protocols to a QKD class of protocols, whereby if the latter is secure, then so is the former. Conversely, given a secure QSDC protocol, we can of course construct a secure QKD scheme by transmitting a random key as the direct message. Then the QKD class of protocols is secure, assuming the security of the QSDC class which it is built from. We refer to this method of deduction of security for this class of QKD protocols, as \\textit{key reduction}. Finally, we propose an orthogonal-state-based deterministic key distribution (KD) protocol which is secure in some local post-quantum theories. Its security arises neither from geographic splitting of a code state nor from Heisenberg uncertainty, but from post-measurement disturbance.

  14. On the Methods for Constructing Meson-Baryon Reaction Models within Relativistic Quantum Field Theory

    E-Print Network [OSTI]

    B. Julia-Diaz; H. Kamano; T. -S. H. Lee; A. Matsuyama; T. Sato; N. Suzuki

    2009-02-18T23:59:59.000Z

    Within the relativistic quantum field theory, we analyze the differences between the $\\pi N$ reaction models constructed from using (1) three-dimensional reductions of Bethe-Salpeter Equation, (2) method of unitary transformation, and (3) time-ordered perturbation theory. Their relations with the approach based on the dispersion relations of S-matrix theory are dicusssed.

  15. Quantum irreversibility, perturbation independent decay, and the parametric theory of the local density of states

    E-Print Network [OSTI]

    Cohen, Doron

    of the survival probability is manifestly related to the parametric theory of the local density of states LDOS necessitates a generalization of the theory regarding survival probability 11 . In Sec. III we re- mindQuantum irreversibility, perturbation independent decay, and the parametric theory of the local

  16. Quantum field theory in curved spacetime, the operator product expansion, and dark energy

    E-Print Network [OSTI]

    S. Hollands; R. M. Wald

    2008-05-22T23:59:59.000Z

    To make sense of quantum field theory in an arbitrary (globally hyperbolic) curved spacetime, the theory must be formulated in a local and covariant manner in terms of locally measureable field observables. Since a generic curved spacetime does not possess symmetries or a unique notion of a vacuum state, the theory also must be formulated in a manner that does not require symmetries or a preferred notion of a ``vacuum state'' and ``particles''. We propose such a formulation of quantum field theory, wherein the operator product expansion (OPE) of the quantum fields is elevated to a fundamental status, and the quantum field theory is viewed as being defined by its OPE. Since the OPE coefficients may be better behaved than any quantities having to do with states, we suggest that it may be possible to perturbatively construct the OPE coefficients--and, thus, the quantum field theory. By contrast, ground/vacuum states--in spacetimes, such as Minkowski spacetime, where they may be defined--cannot vary analytically with the parameters of the theory. We argue that this implies that composite fields may acquire nonvanishing vacuum state expectation values due to nonperturbative effects. We speculate that this could account for the existence of a nonvanishing vacuum expectation value of the stress-energy tensor of a quantum field occurring at a scale much smaller than the natural scales of the theory.

  17. The physical Church-Turing thesis and the principles of quantum theory

    E-Print Network [OSTI]

    Pablo Arrighi; Gilles Dowek

    2011-02-08T23:59:59.000Z

    Notoriously, quantum computation shatters complexity theory, but is innocuous to computability theory. Yet several works have shown how quantum theory as it stands could breach the physical Church-Turing thesis. We draw a clear line as to when this is the case, in a way that is inspired by Gandy. Gandy formulates postulates about physics, such as homogeneity of space and time, bounded density and velocity of information --- and proves that the physical Church-Turing thesis is a consequence of these postulates. We provide a quantum version of the theorem. Thus this approach exhibits a formal non-trivial interplay between theoretical physics symmetries and computability assumptions.

  18. Lessons for Loop Quantum Gravity from Parametrised Field Theory

    E-Print Network [OSTI]

    Thomas Thiemann

    2010-10-12T23:59:59.000Z

    In a series of seminal papers, Laddha and Varadarajan have developed in depth the quantisation of Parametrised Field Theory (PFT) in the kind of discontinuous representations that are employed in Loop Quantum Gravity (LQG). In one spatial dimension (circle) PFT is very similar to the closed bosonic string and the constraint algebra is isomorphic to two mutually commuting Witt algebras. Its quantisation is therefore straightforward in LQG like representations which by design lead to non anomalous, unitary, albeit discontinuous representations of the spatial diffeomorphism group. In particular, the complete set of (distributional) solutions to the quantum constraints, a preferred and complete algebra of Dirac observables and the associated physical inner product has been constructed. On the other hand, the two copies of Witt algebras are classically isomorphic to the Dirac or hypersurface deformation algebra of General Relativity (although without structure functions). The question we address in this paper, also raised by Laddha and Varadarajan in their paper, is whether we can quantise the Dirac algebra in such a way that its space of distributional solutions coincides with the one just described. This potentially teaches us something about LQG where a classically equivalent formulation of the Dirac algebra in terms of spatial diffeomorphism Lie algebras is not at our disposal. We find that, in order to achieve this, the Hamiltonian constraint has to be quantised by methods that extend those previously considered. The amount of quantisation ambiguities is somewhat reduced but not eliminated. We also show that the algebra of Hamiltonian constraints closes in a precise sense, with soft anomalies, that is, anomalies that do not cause inconsistencies. We elaborate on the relevance of these findings for full LQG.

  19. Investigating puzzling aspects of the quantum theory by means of its hydrodynamic formulation

    E-Print Network [OSTI]

    Sanz, A S

    2015-01-01T23:59:59.000Z

    Bohmian mechanics, a hydrodynamic formulation of the quantum theory, constitutes a useful resource to analyze the role of the phase as the mechanism responsible for the dynamical evolution of quantum systems. Here this role is discussed in the context of quantum interference. Specifically, it is shown that when dealing with two wave-packet coherent superpositions this phenomenon is analogous to an effective collision of a single wave packet with a barrier. This effect is illustrated by means of a numerical simulation of Young's two-slit experiment. Furthermore, outcomes from this analysis are also applied to a realistic simulation of Wheeler's delayed choice experiment. As it is shown, in both cases the Bohmian formulation helps to understand in a natural way (and, therefore, to demystify) what are typically regarded as paradoxical aspects of the quantum theory, simply stressing the important dynamical role played by the quantum phase. Accordingly, our conception of quantum systems should not rely on artifici...

  20. Effective field theory and projective construction for Z[subscript k] parafermion fractional quantum Hall states

    E-Print Network [OSTI]

    Wen, Xiao-Gang

    The projective construction is a powerful approach to deriving the bulk and edge field theories of non-Abelian fractional quantum Hall (FQH) states and yields an understanding of non-Abelian FQH states in terms of the ...

  1. Counting degrees of freedom in quantum field theory using entanglement entropy

    E-Print Network [OSTI]

    Mezei, Márk (Márk Koppany)

    2014-01-01T23:59:59.000Z

    We devote this thesis to the exploration of how to define the number of degrees of freedom in quantum field theory. Intuitively, the number of degrees of freedom should decrease along the renormalization group (RG) flow, ...

  2. Quantum field theory solution for a short-range interacting SO(3) quantum spin-glass

    E-Print Network [OSTI]

    C. M. S. da Conceição; E. C. Marino

    2009-03-02T23:59:59.000Z

    We study the quenched disordered magnetic system, which is obtained from the 2D SO(3) quantum Heisenberg model, on a square lattice, with nearest neighbors interaction, by taking a Gaussian random distribution of couplings centered in an antiferromagnetic coupling, $\\bar J>0$ and with a width $\\Delta J$. Using coherent spin states we can integrate over the random variables and map the system onto a field theory, which is a generalization of the SO(3) nonlinear sigma model with different flavors corresponding to the replicas, coupling parameter proportional to $\\bar J$ and having a quartic spin interaction proportional to the disorder ($\\Delta J$). After deriving the CP$^1$ version of the system, we perform a calculation of the free energy density in the limit of zero replicas, which fully includes the quantum fluctuations of the CP$^1$ fields $z_i$. We, thereby obtain the phase diagram of the system in terms of ($T, \\bar J, \\Delta J$). This presents an ordered antiferromagnetic (AF) phase, a paramagnetic (PM) phase and a spin-glass (SG) phase. A critical curve separating the PM and SG phases ends at a quantum critical point located between the AF and SG phases, at T=0. The Edwards-Anderson order parameter, as well as the magnetic susceptibilities are explicitly obtained in each of the three phases as a function of the three control parameters. The magnetic susceptibilities show a Curie-type behavior at high temperatures and exhibit a clear cusp, characteristic of the SG transition, at the transition line. The thermodynamic stability of the phases is investigated by a careful analysis of the Hessian matrix of the free energy. We show that all principal minors of the Hessian are positive in the limit of zero replicas, implying in particular that the SG phase is stable.

  3. Nonperturbative Quantum Physics from Low-Order Perturbation Theory

    E-Print Network [OSTI]

    Hector Mera; T. G. Pedersen; Branislav K. Nikolic

    2014-10-17T23:59:59.000Z

    The Stark effect in hydrogen and the cubic anharmonic oscillator furnish examples of quantum systems where the perturbation results in a certain ionization probability by tunneling processes. Accordingly, the perturbed ground-state energy is shifted and broadened, thus acquiring an imaginary part which is considered to be a paradigm of nonperturbative behavior. Here we demonstrate how the low order coefficients of a divergent perturbation series can be used to obtain excellent approximations to both real and imaginary parts of the perturbed ground state eigenenergy. The key is to use analytic continuation functions with a built in analytic structure within the complex plane of the coupling constant, which is tailored by means of Bender-Wu dispersion relations. In the examples discussed the analytic continuation functions are Gauss hypergeometric functions, which take as input fourth order perturbation theory and return excellent approximations to the complex perturbed eigenvalue. These functions are Borel-consistent and dramatically outperform widely used Pad\\'e and Borel-Pad\\'e approaches, even for rather large values of the coupling constant.

  4. Quantum theory of exciton-photon coupling in photonic crystal slabs with embedded quantum wells

    E-Print Network [OSTI]

    D. Gerace; L. C. Andreani

    2007-06-04T23:59:59.000Z

    A theoretical description of radiation-matter coupling for semiconductor-based photonic crystal slabs is presented, in which quantum wells are embedded within the waveguide core layer. A full quantum theory is developed, by quantizing both the electromagnetic field with a spatial modulation of the refractive index and the exciton center of mass field in a periodic piecewise constant potential. The second-quantized hamiltonian of the interacting system is diagonalized with a generalized Hopfield method, thus yielding the complex dispersion of mixed exciton-photon modes including losses. The occurrence of both weak and strong coupling regimes is studied, and it is concluded that the new eigenstates of the system are described by quasi-particles called photonic crystal polaritons, which can occur in two situations: (i) below the light line, when a resonance between exciton and non-radiative photon levels occurs (guided polaritons), (ii) above the light line, provided the exciton-photon coupling is larger than the intrinsic radiative damping of the resonant photonic mode (radiative polaritons). For a square lattice of air holes, it is found that the energy minimum of the lower polariton branch can occur around normal incidence. The latter result has potential implications for the realization of polariton parametric interactions in photonic crystal slabs.

  5. Unified theory of bound and scattering molecular Rydberg states as quantum maps

    E-Print Network [OSTI]

    Lombardi, Maurice

    of the quantum analysis of such states was the Quantum Defect Theory (see e.g. the review article by Seaton [1, the levels near the ionization limit follow the hydrogenic Rydberg law En = -Ry/(n+d)2 , with only a constant of this anisotropy on the ionic potential decays faster with distance r than the point charge 1/r Coulomb po- tential

  6. Wick rotation for quantum field theories on degenerate Moyal space(-time)

    SciTech Connect (OSTI)

    Grosse, Harald; Lechner, Gandalf [Department of Physics, University of Vienna, 1090 Vienna (Austria)] [Department of Physics, University of Vienna, 1090 Vienna (Austria); Ludwig, Thomas [Max-Planck-Institute for Mathematics in the Sciences, 04103 Leipzig (Germany) [Max-Planck-Institute for Mathematics in the Sciences, 04103 Leipzig (Germany); Institute for Theoretical Physics, University of Leipzig, 04009 Leipzig (Germany); Verch, Rainer [Institute for Theoretical Physics, University of Leipzig, 04009 Leipzig (Germany)] [Institute for Theoretical Physics, University of Leipzig, 04009 Leipzig (Germany)

    2013-02-15T23:59:59.000Z

    In this paper the connection between quantum field theories on flat noncommutative space(-times) in Euclidean and Lorentzian signature is studied for the case that time is still commutative. By making use of the algebraic framework of quantum field theory and an analytic continuation of the symmetry groups which are compatible with the structure of Moyal space, a general correspondence between field theories on Euclidean space satisfying a time zero condition and quantum field theories on Moyal Minkowski space is presented ('Wick rotation'). It is then shown that field theories transferred to Moyal space(-time) by Rieffel deformation and warped convolution fit into this framework, and that the processes of Wick rotation and deformation commute.

  7. Two studies of topological quantum field theory in two dimensions

    E-Print Network [OSTI]

    Lin, Haijian Kevin

    2012-01-01T23:59:59.000Z

    56] G. Segal. The definition of conformal field theory. In:ABELIAN GAUGE THEORY IN FAMILIES Definition 2.4.1. Let 0 ? wOF ABELIAN GAUGE THEORY IN FAMILIES Definition 2.2.6. Recall

  8. A formalism-local framework for general probabilistic theories including quantum theory

    E-Print Network [OSTI]

    Lucien Hardy

    2010-05-27T23:59:59.000Z

    In this paper we consider general probabilistic theories that pertain to circuits which satisfy two very natural assumptions. We provide a formalism that is local in the following very specific sense: calculations pertaining to any region of spacetime employ only mathematical objects associated with that region. We call this "formalism locality". It incorporates the idea that space and time should be treated on an equal footing. Formulations that use a foliation of spacetime to evolve a state do not have this property nor do histories-based approaches. An operation (see figure on left) has inputs and outputs (through which systems travel). A circuit is built by wiring together operations such that we have no open inputs or outputs left over. A fragment (see figure on right) is a part of a circuit and may have open inputs and outputs. We show how each operation is associated with a certain mathematical object which we call a "duotensor" (this is like a tensor but with a bit more structure). In the figure on the left we show how a duotensor is represented graphically. We can link duotensors together such that black and white dots match up to get the duotensor corresponding to any fragment. The figure on the right is the duotensor for the above fragment. Links represent summing over the corresponding indices. We can use such duotensors to make probabilistic statements pertaining to fragments. Since fragments are the circuit equivalent of arbitrary spacetime regions we have formalism locality. The probability for a circuit is given by the corresponding duotensorial calculation (which is a scalar since there are no indices left over). We show how to put classical probability theory and quantum theory into this framework. [Note: the abstract in the paper has pictures.

  9. Theory of finite-entanglement scaling at one-dimensional quantum critical points

    E-Print Network [OSTI]

    Frank Pollmann; Subroto Mukerjee; Ari Turner; Joel E. Moore

    2009-04-20T23:59:59.000Z

    Studies of entanglement in many-particle systems suggest that most quantum critical ground states have infinitely more entanglement than non-critical states. Standard algorithms for one-dimensional many-particle systems construct model states with limited entanglement, which are a worse approximation to quantum critical states than to others. We give a quantitative theory of previously observed scaling behavior resulting from finite entanglement at quantum criticality: the scaling theory of finite entanglement is only superficially similar to finite-size scaling, and has a different physical origin. We find that finite-entanglement scaling is governed not by the scaling dimension of an operator but by the "central charge" of the critical point, which counts its universal degrees of freedom. An important ingredient is the recently obtained universal distribution of density-matrix eigenvalues at a critical point\\cite{calabrese1}. The parameter-free theory is checked against numerical scaling at several quantum critical points.

  10. Embedding quantum and random optics in a larger field theory

    E-Print Network [OSTI]

    Peter Morgan

    2008-06-09T23:59:59.000Z

    Introducing creation and annihilation operators for negative frequency components extends the algebra of smeared local observables of quantum optics to include an associated classical random field optics.

  11. An Interpretation of Noncommutative Field Theory in Terms of a Quantum Shift

    E-Print Network [OSTI]

    M. Chaichian; K. Nishijima; A. Tureanu

    2005-11-08T23:59:59.000Z

    Noncommutative coordinates are decomposed into a sum of geometrical ones and a universal quantum shift operator. With the help of this operator, the mapping of a commutative field theory into a noncommutative field theory (NCFT) is introduced. A general measure for the Lorentz-invariance violation in NCFT is also derived.

  12. The Representation of Quantum Field Theory without Infinity Bare Masses and Coupling Constants of Fermions

    E-Print Network [OSTI]

    V. P. Neznamov

    2015-02-02T23:59:59.000Z

    The paper presents the representation of quantum field theory without introduction of infinity bare masses and coupling constants of fermions. Counter-terms, compensating for divergent quantities in self-energy diagrams of fermions and vacuum polarization diagrams at all orders of the perturbation theory, appear in the appropriate Hamiltonians under the special time-dependent unitary transformation.

  13. Why Renormalizable NonCommutative Quantum Field Theories?

    E-Print Network [OSTI]

    Vincent Rivasseau

    2007-11-12T23:59:59.000Z

    We complete our previous recent review on noncommutative field theory, discussing in particular the constructive aproach to the Grosse-Wulkenhaar theory. We also suggest that by gluing together many Grosse-Wulkenhaar theories at high energy one can obtain an effective commutative field theory at lower energy.

  14. Quantum gravity computers: On the theory of computation with indefinite causal structure

    E-Print Network [OSTI]

    Lucien Hardy

    2007-01-05T23:59:59.000Z

    A quantum gravity computer is one for which the particular effects of quantum gravity are relevant. In general relativity, causal structure is non-fixed. In quantum theory non-fixed quantities are subject to quantum uncertainty. It is therefore likely that, in a theory of quantum gravity, we will have indefinite causal structure. This means that there will be no matter of fact as to whether a particular interval is timelike or not. We study the implications of this for the theory of computation. Classical and quantum computations consist in ivolving the state of the computer through a sequence of time steps. This will, most likely, not be possible for a quantum gravity computer because the notion of a time step makes no sense if we have indefinite causal structure. We show that it is possible to set up a model for computation even in the absence of definite causal structure by using a certain framework (the causaloid formalism) that was developed for the purpose of correlating data taken in this type of situation. Corresponding to a physical theory is a causaloid, Lambda (this is a mathematical object containing information about the causal connections between different spacetime regions). A computer is given by the pair {Lambda, S} where S is a set of gates. Working within the causaloid formalism, we explore the question of whether universal quantum gravity computers are possible. We also examine whether a quantum gravity computer might be more powerful than a quantum (or classical) computer. In particular, we ask whether indefinite causal structure can be used as a computational resource.

  15. Theory for the optimal control of time-averaged quantities in open quantum systems

    E-Print Network [OSTI]

    Ilia Grigorenko; Martin E. Garcia; K. H. Bennemann

    2002-03-25T23:59:59.000Z

    We present variational theory for optimal control over a finite time interval in quantum systems with relaxation. The corresponding Euler-Lagrange equations determining the optimal control field are derived. In our theory the optimal control field fulfills a high order differential equation, which we solve analytically for some limiting cases. We determine quantitatively how relaxation effects limit the control of the system. The theory is applied to open two level quantum systems. An approximate analytical solution for the level occupations in terms of the applied fields is presented. Different other applications are discussed.

  16. Exact Amplitude-Based Resummation in Quantum Field Theory: Recent Results

    E-Print Network [OSTI]

    Ward, B F L

    2012-01-01T23:59:59.000Z

    We present the current status of the application of our approach of exact amplitude-based resummation in quantum field theory to two areas of investigation: precision QCD calculations of all three of us as needed for LHC physics and the resummed quantum gravity realization by one of us (B.F.L.W.) of Feynman's formulation of Einstein's theory of general relativity. We discuss recent results as they relate to experimental observations. There is reason for optimism in the attendant comparison of theory and experiment.

  17. Information States in Control Theory: From Classical to Quantum

    E-Print Network [OSTI]

    Matthew James

    2014-06-20T23:59:59.000Z

    This paper is concerned with the concept of {\\em information state} and its use in optimal feedback control of classical and quantum systems. The use of information states for measurement feedback problems is summarized. Generalization to fully quantum coherent feedback control problems is considered.

  18. Probability Theories with Dynamic Causal Structure: A New Framework for Quantum Gravity

    E-Print Network [OSTI]

    Lucien Hardy

    2005-09-29T23:59:59.000Z

    Quantum theory is a probabilistic theory with fixed causal structure. General relativity is a deterministic theory but where the causal structure is dynamic. It is reasonable to expect that quantum gravity will be a probabilistic theory with dynamic causal structure. The purpose of this paper is to present a framework for such a probability calculus. We define an operational notion of space-time, this being composed of elementary regions. Central to this formalism is an object we call the causaloid. This object captures information about causal structure implicit in the data by quantifying the way in which the number of measurements required to establish a state for a composite region is reduced when there is a causal connection between the component regions. This formalism puts all elementary regions on an equal footing. It does not require that we impose fixed causal structure. In particular, it is not necessary to assume the existence of a background time. Remarkably, given the causaloid, we can calculate all relevant probabilities and so the causaloid is sufficient to specify the predictive aspect of a physical theory. We show how certain causaloids can be represented by suggestive diagrams and we show how to represent both classical probability theory and quantum theory by a causaloid. We do not give a causaloid formulation for general relativity though we speculate that this is possible. The work presented here suggests a research program aimed at finding a theory of quantum gravity. The idea is to use the causaloid formalism along with principles taken from the two theories to marry the dynamic causal structure of general relativity with the probabilistic structure of quantum theory.

  19. Towards Quantum Gravity: A Framework for Probabilistic Theories with Non-Fixed Causal Structure

    E-Print Network [OSTI]

    Lucien Hardy

    2006-08-09T23:59:59.000Z

    General relativity is a deterministic theory with non-fixed causal structure. Quantum theory is a probabilistic theory with fixed causal structure. In this paper we build a framework for probabilistic theories with non-fixed causal structure. This combines the radical elements of general relativity and quantum theory. The key idea in the construction is physical compression. A physical theory relates quantities. Thus, if we specify a sufficiently large set of quantities (this is the compressed set), we can calculate all the others. We apply three levels of physical compression. First, we apply it locally to quantities (actually probabilities) that might be measured in a particular region of spacetime. Then we consider composite regions. We find that there is a second level of physical compression for the composite region over and above the first level physical compression for the component regions. Each application of first and second level physical compression is quantified by a matrix. We find that these matrices themselves are related by the physical theory and can therefore be subject to compression. This is the third level of physical compression. This third level of physical compression gives rise to a new mathematical object which we call the causaloid. From the causaloid for a particular physical theory we can calculate verything the physical theory can calculate. This approach allows us to set up a framework for calculating probabilistic correlations in data without imposing a fixed causal structure (such as a background time). We show how to put quantum theory in this framework (thus providing a new formulation of this theory). We indicate how general relativity might be put into this framework and how the framework might be used to construct a theory of quantum gravity.

  20. A new look at the problem of gauge invariance in quantum field theory

    E-Print Network [OSTI]

    Dan Solomon

    2007-06-19T23:59:59.000Z

    Quantum field theory is assumed to be gauge invariant. However it is well known that when certain quantities are calculated using perturbation theory the results are not gauge invariant. The non-gauge invariant terms have to be removed in order to obtain a physically correct result. In this paper we will examine this problem and determine why a theory that is supposed to be gauge invariant produces non-gauge invariant results.

  1. Minimal Length and the Existence of Some Infinitesimal Quantities in Quantum Theory and Gravity

    E-Print Network [OSTI]

    A. E. Shalyt-Margolin

    2014-12-10T23:59:59.000Z

    In this work it is demonstrated that, provided a theory involves a minimal length, this theory must be free from such infinitesimal quantities as infinitely small variations in surface of the holographic screen, its volume, and entropy. The corresponding infinitesimal quantities in this case must be replaced by the "minimal variations possible" -- finite quantities dependent on the existent energies. As a result, the initial low-energy theory (quantum theory or general relativity) inevitably must be replaced by a minimal-length theory that gives very close results but operates with absolutely other mathematical apparatus.

  2. Adsorption of silver dimer on graphene - A DFT study

    SciTech Connect (OSTI)

    Kaur, Gagandeep, E-mail: gaganj1981@yahoo.com [Department of Physics and Centre of Advanced Studies in Physics, Panjab University, Chandigarh-160014, India and Chandigarh Engineering College, Landran, Mohali-140307, Punjab (India); Gupta, Shuchi [Department of Physics and Centre of Advanced Studies in Physics, Panjab University, Chandigarh-160014, India and University Institute of Engineering and Technology, Panjab University, Chandigarh -160014 (India); Rani, Pooja; Dharamvir, Keya [Department of Physics and Centre of Advanced Studies in Physics, Panjab University, Chandigarh-160014 (India)

    2014-04-24T23:59:59.000Z

    We performed a systematic density functional theory (DFT) study of the adsorption of silver dimer (Ag{sub 2}) on graphene using SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) package, in the generalized gradient approximation (GGA). The adsorption energy, geometry, and charge transfer of Ag2-graphene system are calculated. The minimum energy configuration for a silver dimer is parallel to the graphene sheet with its two atoms directly above the centre of carbon-carbon bond. The negligible charge transfer between the dimer and the surface is also indicative of a weak bond. The methodology demonstrated in this paper may be applied to larger silver clusters on graphene sheet.

  3. Anomaly constraints and string/F-theory geometry in 6D quantum gravity

    E-Print Network [OSTI]

    Washington Taylor

    2010-09-07T23:59:59.000Z

    Quantum anomalies, determined by the Atiyah-Singer index theorem, place strong constraints on the space of quantum gravity theories in six dimensions with minimal supersymmetry. The conjecture of "string universality" states that all such theories which do not have anomalies or other quantum inconsistencies are realized in string theory. This paper describes this conjecture and recent work by Kumar, Morrison, and the author towards developing a global picture of the space of consistent 6D supergravities and their realization in string theory via F-theory constructions. We focus on the discrete data for each model associated with the gauge symmetry group and the representation of this group on matter fields. The 6D anomaly structure determines an integral lattice for each gravity theory, which is related to the geometry of an elliptically fibered Calabi-Yau three-fold in an F-theory construction. Possible exceptions to the string universality conjecture suggest novel constraints on low-energy gravity theories which may be identified from the structure of F-theory geometry.

  4. A semiclassical theory of quantum noise in open chaotic systems

    E-Print Network [OSTI]

    B. C. Bag; S. Chaudhuri; J. Ray Chaudhuri; D. S. Ray

    1998-11-13T23:59:59.000Z

    We consider the quantum evolution of classically chaotic systems in contact with surroundings. Based on $\\hbar$-scaling of an equation for time evolution of the Wigner's quasi-probability distribution function in presence of dissipation and thermal diffusion we derive a semiclassical equation for quantum fluctuations. This identifies an early regime of evolution dominated by fluctuations in the curvature of the potential due to classical chaos and dissipation. A stochastic treatment of this classical fluctuations leads us to a Fokker-Planck equation which is reminiscent of Kramers' equation for thermally activated processes. This reveals an interplay of three aspects of evolution of quantum noise in weakly dissipative open systems; the reversible Liouville flow, the irreversible chaotic diffusion which is characteristic of the system itself, and irreversible dissipation induced by the external reservoir. It has been demonstrated that in the dissipation-free case a competition between Liouville flow in the contracting direction of phase space and chaotic diffusion sets a critical width in the Wigner function for quantum fluctuations. We also show how the initial quantum noise gets amplified by classical chaos and ultimately equilibrated under the influence of dissipation. We establish that there exists a critical limit to the expansion of phase space. The limit is determined by chaotic diffusion and dissipation. Making use of appropriate quantum-classical correspondence we verify the semiclassical analysis by the fully quantum simulation in a chaotic quartic oscillator.

  5. Parallel Implementation of Gamma-Point Pseudopotential Plane-Wave DFT with Exact Exchange

    SciTech Connect (OSTI)

    Bylaska, Eric J.; Tsemekhman, Kiril L.; Baden, Scott B.; Weare, John H.; Jonsson, Hannes

    2011-01-15T23:59:59.000Z

    One of the more persistent failures of conventional density functional theory (DFT) methods has been their failure to yield localized charge states such as polarons, excitons and solitons in solid-state and extended systems. It has been suggested that conventional DFT functionals, which are not self-interaction free, tend to favor delocalized electronic states since self-interaction creates a Coulomb barrier to charge localization. Pragmatic approaches in which the exchange correlation functionals are augmented with small amount of exact exchange (hybrid-DFT, e.g. B3LYP and PBE0) have shown promise in localizing charge states and predicting accurate band gaps and reaction barriers. We have developed a parallel algorithm for implementing exact exchange into pseudopotential plane-wave density functional theory and we have implemented it in the NWChem program package. The technique developed can readily be employed in plane-wave DFT programs. Furthermore, atomic forces and stresses are straightforward to implement, making it applicable to both confined and extended systems, as well as to Car-Parrinello ab initio molecular dynamic simulations. This method has been applied to several systems for which conventional DFT methods do not work well, including calculations for band gaps in oxides and the electronic structure of a charge trapped state in the Fe(II) containing mica, annite.

  6. Quantum Theory for the Binomial Model in Finance Thoery

    E-Print Network [OSTI]

    Zeqian Chen

    2010-02-19T23:59:59.000Z

    In this paper, a quantum model for the binomial market in finance is proposed. We show that its risk-neutral world exhibits an intriguing structure as a disk in the unit ball of ${\\bf R}^3,$ whose radius is a function of the risk-free interest rate with two thresholds which prevent arbitrage opportunities from this quantum market. Furthermore, from the quantum mechanical point of view we re-deduce the Cox-Ross-Rubinstein binomial option pricing formula by considering Maxwell-Boltzmann statistics of the system of $N$ distinguishable particles.

  7. Theory of the nucleus as applied to quantum chaos

    SciTech Connect (OSTI)

    Bunakov, V. E., E-mail: bunakov@VB13190.spb.edu [St. Petersburg State University, Petersburg Nuclear Physics Institute, National Research Center Kurchatov Institute (Russian Federation)

    2014-12-15T23:59:59.000Z

    A critical analysis of the present-day concept of chaos in quantum systems as nothing but a quantum signature of chaos in classical mechanics is given. It is proposed to specify a regular versus a chaotic behavior on the basis of symmetries of the system being considered and global integrals of motion that are associated with these symmetries in accordance with the Liouville-Arnold theorem rather than on the basis of the concept of Lyapunov’s instability of trajectories. Numerical criteria of quantum chaos that follow from the proposed concept are analyzed.

  8. UV/IR duality in noncommutative quantum field theory

    E-Print Network [OSTI]

    Andre Fischer; Richard J. Szabo

    2010-06-16T23:59:59.000Z

    We review the construction of renormalizable noncommutative euclidean phi(4)-theories based on the UV/IR duality covariant modification of the standard field theory, and how the formalism can be extended to scalar field theories defined on noncommutative Minkowski space.

  9. Green function identities in Euclidean quantum field theory

    E-Print Network [OSTI]

    G. Sardanashvily

    2006-04-01T23:59:59.000Z

    Given a generic Lagrangian system of even and odd fields, we show that any infinitesimal transformation of its classical Lagrangian yields the identities which Euclidean Green functions of quantum fields satisfy.

  10. 1. P1,P2 (P1), (P2) Relativistic Quantum Field Theory

    E-Print Network [OSTI]

    1. P1,P2 (P1), (P2) 2. 3. P1 4. P2 1 #12;P1 P2 " " Relativistic Quantum Field Theory Dirac 212p s1 212s QED 232p 212p s1 212s 232p #12;7 2009 2010 2S 2010 2011 2012 #12;8 2009 2010://tabletop.icepp.s.u- tokyo.ac.jp/Tabletop_experiments/HFS_measurement_with _quantum_oscillation.html P2(?) P1 #12

  11. Spin Matrix Theory: A quantum mechanical model of the AdS/CFT correspondence

    E-Print Network [OSTI]

    Troels Harmark; Marta Orselli

    2014-10-31T23:59:59.000Z

    We introduce a new quantum mechanical theory called Spin Matrix theory (SMT). The theory is interacting with a single coupling constant g and is based on a Hilbert space of harmonic oscillators with a spin index taking values in a Lie (super)algebra representation as well as matrix indices for the adjoint representation of U(N). We show that SMT describes N=4 super-Yang-Mills theory (SYM) near zero-temperature critical points in the grand canonical phase diagram. Equivalently, SMT arises from non-relativistic limits of N=4 SYM. Even though SMT is a non-relativistic quantum mechanical theory it contains a variety of phases mimicking the AdS/CFT correspondence. Moreover, the infinite g limit of SMT can be mapped to the supersymmetric sector of string theory on AdS_5 x S^5. We study SU(2) SMT in detail. At large N and low temperatures it is a theory of spin chains that for small g resembles planar gauge theory and for large g a non-relativistic string theory. When raising the temperature a partial deconfinement transition occurs due to finite-N effects. For sufficiently high temperatures the partially deconfined phase has a classical regime. We find a matrix model description of this regime at any coupling g. Setting g=0 it is a theory of N^2+1 harmonic oscillators while for large g it becomes 2N harmonic oscillators.

  12. Quantum motion equation and Poincare translation invariance of noncommutative field theory

    E-Print Network [OSTI]

    Zheng Ze Ma

    2006-03-16T23:59:59.000Z

    We study the Moyal commutators and their expectation values between vacuum states and non-vacuum states for noncommutative scalar field theory. For noncommutative $\\phi^{\\star4}$ scalar field theory, we derive its energy-momentum tensor from translation transformation and Lagrange field equation. We generalize the Heisenberg and quantum motion equations to the form of Moyal star-products for noncommutative $\\phi^{\\star4}$ scalar field theory for the case $\\theta^{0i}=0$ of spacetime noncommutativity. Then we demonstrate the Poincar{\\' e} translation invariance for noncommutative $\\phi^{\\star4}$ scalar field theory for the case $\\theta^{0i}=0$ of spacetime noncommutativity.

  13. Coherent versus measurement feedback: Linear systems theory for quantum information

    E-Print Network [OSTI]

    Naoki Yamamoto

    2014-10-10T23:59:59.000Z

    To control a quantum system via feedback, we generally have two options in choosing control scheme. One is the coherent feedback, which feeds the output field of the system, through a fully quantum device, back to manipulate the system without involving any measurement process. The other one is the measurement-based feedback, which measures the output field and performs a real-time manipulation on the system based on the measurement results. Both schemes have advantages/disadvantages, depending on the system and the control goal, hence their comparison in several situation is important. This paper considers a general open linear quantum system with the following specific control goals; back-action evasion (BAE), generation of a quantum non-demolished (QND) variable, and generation of a decoherence-free subsystem (DFS), all of which have important roles in quantum information science. Then some no-go theorems are proven, clarifying that those goals cannot be achieved by any measurement-based feedback control. On the other hand it is shown that, for each control goal, there exists a coherent feedback controller accomplishing the task. The key idea to obtain all the results is system theoretic characterizations of BAE, QND, and DFS in terms of controllability and observability properties or transfer functions of linear systems, which are consistent with their standard definitions.

  14. Theory of Quantum Pulse Position Modulation and Related Numerical Problems

    E-Print Network [OSTI]

    G. Cariolaro; G. Pierobon

    2009-11-13T23:59:59.000Z

    The paper deals with quantum pulse position modulation (PPM), both in the absence (pure states) and in the presence (mixed states) of thermal noise, using the Glauber representation of coherent laser radiation. The objective is to find optimal (or suboptimal) measurement operators and to evaluate the corresponding error probability. For PPM, the correct formulation of quantum states is given by the tensorial product of m identical Hilbert spaces, where m is the PPM order. The presence of mixed states, due to thermal noise, generates an optimization problem involving matrices of huge dimensions, which already for 4-PPM, are of the order of ten thousand. To overcome this computational complexity, the currently available methods of quantum detection, which are based on explicit results, convex linear programming and square root measurement, are compared to find the computationally less expensive one. In this paper a fundamental role is played by the geometrically uniform symmetry of the quantum PPM format. The evaluation of error probability confirms the vast superiority of the quantum detection over its classical counterpart.

  15. Group field theory formulation of 3d quantum gravity coupled to matter fields

    E-Print Network [OSTI]

    Daniele Oriti; James Ryan

    2006-02-02T23:59:59.000Z

    We present a new group field theory describing 3d Riemannian quantum gravity coupled to matter fields for any choice of spin and mass. The perturbative expansion of the partition function produces fat graphs colored with SU(2) algebraic data, from which one can reconstruct at once a 3-dimensional simplicial complex representing spacetime and its geometry, like in the Ponzano-Regge formulation of pure 3d quantum gravity, and the Feynman graphs for the matter fields. The model then assigns quantum amplitudes to these fat graphs given by spin foam models for gravity coupled to interacting massive spinning point particles, whose properties we discuss.

  16. BF-theory in graphene: a route toward topological quantum computing?

    E-Print Network [OSTI]

    Annalisa Marzuoli; Giandomenico Palumbo

    2012-06-11T23:59:59.000Z

    Besides the plenty of applications of graphene allotropes in condensed matter and nanotechnology, we argue that graphene sheets might be engineered to support room-temperature topological quantum processing of information. The argument is based on the possibility of modeling the monolayer graphene effective action by means of a 3d Topological Quantum Field Theory of BF-type able to sustain non-Abelian anyon dynamics. This feature is the basic requirement of recently proposed theoretical frameworks for fault-tolerant and decoherence protected quantum computation.

  17. New Dirac Delta function based methods with applications to perturbative expansions in quantum field theory

    E-Print Network [OSTI]

    Achim Kempf; David M. Jackson; Alejandro H. Morales

    2014-09-23T23:59:59.000Z

    We derive new all-purpose methods that involve the Dirac Delta distribution. Some of the new methods use derivatives in the argument of the Dirac Delta. We highlight potential avenues for applications to quantum field theory and we also exhibit a connection to the problem of blurring/deblurring in signal processing. We find that blurring, which can be thought of as a result of multi-path evolution, is, in Euclidean quantum field theory without spontaneous symmetry breaking, the strong coupling dual of the usual small coupling expansion in terms of the sum over Feynman graphs.

  18. Hexakis(4-phormylphenoxy)cyclotriphosphazene: X-ray and DFT-calculated structures

    SciTech Connect (OSTI)

    Albayrak, Cigdem, E-mail: calbayrak@sinop.edu.tr; Kosar, Basak [Sinop University, Faculty of Education (Turkey); Odabasoglu, Mustafa [Pamukkale University, Chemical Technology Program (Turkey); Bueyuekguengoer, Orhan [Ondokuz Mayis University, Faculty of Arts and Sciences (Turkey)

    2010-12-15T23:59:59.000Z

    The crystal structure of hexakis(4-phormylphenoxy)cyclotriphosphazene is determined by using X-ray diffraction and then the molecular structure is investigated with density functional theory (DFT). X-Ray study shows that the title compound has C-H-{pi} interaction with phosphazene ring. The molecules in the unit cell are packed with Van der Waals and dipole-dipole interactions and the molecules are packed in zigzag shaped. Optimized molecular geometry is calculated with DFT at B3LYP/6-311G(d,p) level. The results from both experimental and theoretical calculations are compared in this study.

  19. A deformation quantization theory for noncommutative quantum mechanics

    SciTech Connect (OSTI)

    Costa Dias, Nuno; Prata, Joao Nuno [Departamento de Matematica, Universidade Lusofona de Humanidades e Tecnologias, Av. Campo Grande, 376, 1749-024 Lisboa (Portugal) and Grupo de Fisica Matematica, Universidade de Lisboa, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); Gosson, Maurice de [NuHAG Fakultaet fuer Mathematik, Universitaet Wien, Wien 1090 (Austria); Luef, Franz [NuHAG Fakultaet fuer Mathematik, Universitaet Wien, Wien 1090 (Austria); Department of Mathematics, UC Berkeley, 847 Evans Hall, Berkeley, California 94720-3840 (United States)

    2010-07-15T23:59:59.000Z

    We show that the deformation quantization of noncommutative quantum mechanics previously considered by Dias and Prata ['Weyl-Wigner formulation of noncommutative quantum mechanics', J. Math. Phys. 49, 072101 (2008)] and Bastos, Dias, and Prata ['Wigner measures in non-commutative quantum mechanics', e-print arXiv:math-ph/0907.4438v1; Commun. Math. Phys. (to appear)] can be expressed as a Weyl calculus on a double phase space. We study the properties of the star-product thus defined and prove a spectral theorem for the star-genvalue equation using an extension of the methods recently initiated by de Gosson and Luef ['A new approach to the *-genvalue equation', Lett. Math. Phys. 85, 173-183 (2008)].

  20. Selective Atomic Heating in Plasmas: Implications for Quantum Theory

    E-Print Network [OSTI]

    Phillips, Jonathan

    2008-01-01T23:59:59.000Z

    A new model of quantum mechanics, Classical Quantum Mechanics, is based on the (nearly heretical) postulate that electrons are physical objects that obey classical physical laws. Indeed, ionization energies, excitation energies etc. are computed based on picturing electrons as bubbles of charge that symmetrically surround a nucleus. Hence, for example, simple algebraic expressions based on Newtonian force balances are used to predict ionization energies and stable excitation states with remarkable precision. One of the most startling predictions of the model is that there are stable sizes of the hydrogen atom electron (bubble diameter) that are smaller (called hydrinos) than that calculated for the standard ground state. Experimental evidence in support of this novel physical/classical version of quantum is alleged to be found in the existence of super heated hydrogen atoms reported by many teams in a variety of plasmas. It is postulated that the energy required for creating super heated H aoms comes from the...

  1. The Logical Inconsistency of the Old Quantum Theory of Black Body Radiation Author(s): John Norton

    E-Print Network [OSTI]

    radiation was manifestly logically in- consistent. It required the energies of electric resonatorsThe Logical Inconsistency of the Old Quantum Theory of Black Body Radiation Author(s): John Norton September, 1987 THE LOGICAL INCONSISTENCY OF THE OLD QUANTUM THEORY OF BLACK BODY RADIATION* JOHN NORTONt

  2. Quantum Field Theory on Noncommutative Space-Times and the Persistence of Ultraviolet Divergences

    E-Print Network [OSTI]

    M. Chaichian; A. Demichev; P. Presnajder

    1999-04-13T23:59:59.000Z

    We study properties of a scalar quantum field theory on two-dimensional noncommutative space-times. Contrary to the common belief that noncommutativity of space-time would be a key to remove the ultraviolet divergences, we show that field theories on a noncommutative plane with the most natural Heisenberg-like commutation relations among coordinates or even on a noncommutative quantum plane with $E_q(2)$-symmetry have ultraviolet divergences, while the theory on a noncommutative cylinder is ultraviolet finite. Thus, ultraviolet behaviour of a field theory on noncommutative spaces is sensitive to the topology of the space-time, namely to its compactness. We present general arguments for the case of higher space-time dimensions and as well discuss the symmetry transformations of physical states on noncommutative space-times.

  3. Dynamo in Helical MHD Turbulence: Quantum Field Theory Approach

    E-Print Network [OSTI]

    M. Hnatic; M. Jurcisin; M. Stehlik

    2006-03-10T23:59:59.000Z

    A quantum field model of helical MHD stochastically forced by gaussian hydrodynamic, magnetic and mixed noices is investigated. These helical noises lead to an exponential increase of magnetic fluctuations in the large scale range. Instabilities, which are produced in this process, are eliminated by spontaneous symmetry breaking mechanism accompanied by creation of the homogeneous stationary magnetic field.

  4. Noncommutative spectral geometry and the deformed Hopf algebra structure of quantum field theory

    E-Print Network [OSTI]

    Mairi Sakellariadou; Antonio Stabile; Giuseppe Vitiello

    2013-01-11T23:59:59.000Z

    We report the results obtained in the study of Alain Connes noncommutative spectral geometry construction focusing on its essential ingredient of the algebra doubling. We show that such a two-sheeted structure is related with the gauge structure of the theory, its dissipative character and carries in itself the seeds of quantization. From the algebraic point of view, the algebra doubling process has the same structure of the deformed Hops algebra structure which characterizes quantum field theory.

  5. Parallelism of quantum computations from prequantum classical statistical field theory (PCSFT)

    E-Print Network [OSTI]

    Andrei Khrennikov

    2008-03-10T23:59:59.000Z

    This paper is devoted to such a fundamental problem of quantum computing as quantum parallelism. It is well known that quantum parallelism is the basis of the ability of quantum computer to perform in polynomial time computations performed by classical computers for exponential time. Therefore better understanding of quantum parallelism is important both for theoretical and applied research, cf. e.g. David Deutsch \\cite{DD}. We present a realistic interpretation based on recently developed prequantum classical statistical field theory (PCSFT). In the PCSFT-approach to QM quantum states (mixed as well as pure) are labels of special ensembles of classical fields. Thus e.g. a single (!) ``electron in the pure state'' $\\psi$ can be identified with a special `` electron random field,'' say $\\Phi_\\psi(\\phi).$ Quantum computer operates with such random fields. By one computational step for e.g. a Boolean function $f(x_1,...,x_n)$ the initial random field $\\Phi_{\\psi_0}(\\phi)$ is transformed into the final random field $\\Phi_{\\psi_f}(\\phi)$ ``containing all values'' of $f.$ This is the objective of quantum computer's ability to operate quickly with huge amounts of information -- in fact, with classical random fields.

  6. Theory and Modeling of Weakly Bound/Physisorbed Materials for...

    Broader source: Energy.gov (indexed) [DOE]

    No. W-7405-Eng-48. Outline * Storage by physisorption: - CNT, fullerenes, carbon aerogels - Doping, Decorating, Charging * Accuracy of Methods: DFT, QMC and Quantum Chemistry...

  7. Einstein-Podolsky-Rosen correlations of Dirac particles - quantum field theory approach

    E-Print Network [OSTI]

    Pawel Caban; Jakub Rembielinski

    2006-12-15T23:59:59.000Z

    We calculate correlation function in the Einstein--Podolsky--Rosen type of experiment with massive relativistic Dirac particles in the framework of the quantum field theory formalism. We perform our calculations for states which are physically interesting and transforms covariantly under the full Lorentz group action, i.e. for pseudoscalar and vector state.

  8. Tree Unitarity and Partial Wave Expansion in Noncommutative Quantum Field Theory

    E-Print Network [OSTI]

    M. Chaichian; C. Montonen; A. Tureanu

    2003-05-28T23:59:59.000Z

    The validity of the tree-unitarity criterion for scattering amplitudes on the noncommutative space-time is considered, as a condition that can be used to shed light on the problem of unitarity violation in noncommutative quantum field theories when time is noncommutative. The unitarity constraints on the partial wave amplitudes in the noncommutative space-time are also derived.

  9. Two definitions of the electric polarizability of a bound system in relativistic quantum theory

    E-Print Network [OSTI]

    F. A. B. Coutinho; Y. Nogami; Lauro Tomio

    1998-12-24T23:59:59.000Z

    For the electric polarizability of a bound system in relativistic quantum theory, there are two definitions that have appeared in the literature. They differ depending on whether or not the vacuum background is included in the system. A recent confusion in this connection is clarified.

  10. Conserved charges and quantum-group transformations in noncommutative field theories

    E-Print Network [OSTI]

    Giovanni Amelino-Camelia; Giulia Gubitosi; Flavio Mercati; Giacomo Rosati

    2010-09-16T23:59:59.000Z

    The recently-developed techniques of Noether analysis of the quantum-group spacetime symmetries of some noncommutative field theories rely on the {\\it ad hoc} introduction of some peculiar auxiliary transformation parameters, which appear to have no role in the structure of the quantum group. We here show that it is possible to set up the Noether analysis directly in terms of the quantum-group symmetry transformations, and we therefore establish more robustly the attribution of the conserved charges to the symmetries of interest. We also characterize the concept of "time independence" (as needed for conserved charges) in a way that is robust enough to be applicable even to theories with space/time noncommutativity, where it might have appeared that any characterization of time independence should be vulnerable to changes of ordering convention.

  11. Construction of spin models displaying quantum criticality from quantum field theory

    E-Print Network [OSTI]

    Ivan Glasser; J. Ignacio Cirac; Germán Sierra; Anne E. B. Nielsen

    2014-07-23T23:59:59.000Z

    We provide a method for constructing finite temperature states of one-dimensional spin chains displaying quantum criticality. These models are constructed using correlators of products of quantum fields and have an analytical purification. Their properties can be investigated by Monte-Carlo simulations, which enable us to study the low-temperature phase diagram and to show that it displays a region of quantum criticality. The mixed states obtained are shown to be close to the thermal state of a simple nearest neighbour Hamiltonian.

  12. Quantum Theory of Cavityless Feedback Cooling of An Optically Trapped Nanoparticle

    E-Print Network [OSTI]

    Rodenburg, B; Vamivakas, A N; Bhattacharya, M

    2015-01-01T23:59:59.000Z

    We present a quantum theory of cavityless feedback cooling of an optically trapped harmonically oscillating subwavelength dielectric particle, a configuration recently realized in several experiments. Specifically, we derive a Markovian master equation that treats the mechanical as well as optical degrees of freedom quantum mechanically. Employing this equation, we solve for the nanoparticle phonon number dynamics exactly, and extract analytic expressions for the cooling timescale and the steady state phonon number. We present experimental data verifying the predictions of our model in the classical regime, and also demonstrate that quantum ground state preparation is within reach of ongoing experiments. Our work provides a quantitative framework for future theoretical modeling of the cavityless quantum optomechanics of optically trapped dielectric particles.

  13. Quantum Theory of Cavityless Feedback Cooling of An Optically Trapped Nanoparticle

    E-Print Network [OSTI]

    B. Rodenburg; L. P. Neukirch; A. N. Vamivakas; M. Bhattacharya

    2015-03-17T23:59:59.000Z

    We present a quantum theory of cavityless feedback cooling of an optically trapped harmonically oscillating subwavelength dielectric particle, a configuration recently realized in several experiments. Specifically, we derive a Markovian master equation that treats the mechanical as well as optical degrees of freedom quantum mechanically. Employing this equation, we solve for the nanoparticle phonon number dynamics exactly, and extract analytic expressions for the cooling timescale and the steady state phonon number. We present experimental data verifying the predictions of our model in the classical regime, and also demonstrate that quantum ground state preparation is within reach of ongoing experiments. Our work provides a quantitative framework for future theoretical modeling of the cavityless quantum optomechanics of optically trapped dielectric particles.

  14. Gravity Dual for Reggeon Field Theory and Non-linear Quantum Finance

    E-Print Network [OSTI]

    Yu Nakayama

    2009-06-23T23:59:59.000Z

    We study scale invariant but not necessarily conformal invariant deformations of non-relativistic conformal field theories from the dual gravity viewpoint. We present the corresponding metric that solves the Einstein equation coupled with a massive vector field. We find that, within the class of metric we study, when we assume the Galilean invariance, the scale invariant deformation always preserves the non-relativistic conformal invariance. We discuss applications to scaling regime of Reggeon field theory and non-linear quantum finance. These theories possess scale invariance but may or may not break the conformal invariance, depending on the underlying symmetry assumptions.

  15. An Optical-Lattice-Based Quantum Simulator For Relativistic Field Theories and Topological Insulators

    E-Print Network [OSTI]

    Leonardo Mazza; Alejandro Bermudez; Nathan Goldman; Matteo Rizzi; Miguel Angel Martin-Delgado; Maciej Lewenstein

    2011-05-04T23:59:59.000Z

    We present a proposal for a versatile cold-atom-based quantum simulator of relativistic fermionic theories and topological insulators in arbitrary dimensions. The setup consists of a spin-independent optical lattice that traps a collection of hyperfine states of the same alkaline atom, to which the different degrees of freedom of the field theory to be simulated are then mapped. We show that the combination of bi-chromatic optical lattices with Raman transitions can allow the engineering of a spin-dependent tunneling of the atoms between neighboring lattice sites. These assisted-hopping processes can be employed for the quantum simulation of various interesting models, ranging from non-interacting relativistic fermionic theories to topological insulators. We present a toolbox for the realization of different types of relativistic lattice fermions, which can then be exploited to synthesize the majority of phases in the periodic table of topological insulators.

  16. Toward theory of quantum Hall effect in graphene

    E-Print Network [OSTI]

    E. V. Gorbar; V. P. Gusynin; V. A. Miransky

    2008-11-07T23:59:59.000Z

    We analyze a gap equation for the propagator of Dirac quasiparticles and conclude that in graphene in a magnetic field, the order parameters connected with the quantum Hall ferromagnetism dynamics and those connected with the magnetic catalysis dynamics necessarily coexist (the latter have the form of Dirac masses and correspond to excitonic condensates). This feature of graphene could lead to important consequences, in particular, for the existence of gapless edge states. Solutions of the gap equation corresponding to recently experimentally discovered novel plateaus in graphene in strong magnetic fields are described.

  17. Ultracold Atoms: How Quantum Field Theory Invaded Atomic Physics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What'sis Taking Over OurThe Iron Spin TransitionProgram |Frank CasellaEnergyUltracold Atoms: How Quantum

  18. Quantum Theory of particles and fields as an extension of a probabilistic variational approach to classical mechanics and classical field theory. I

    E-Print Network [OSTI]

    Matteo Villani

    2009-07-28T23:59:59.000Z

    A theoretical scheme, based on a probabilistic generalization of the Hamilton's principle, is elaborated to obtain an unified description of more general dynamical behaviors determined both from a lagrangian function and by mechanisms not contemplated by this function. Within this scheme, quantum mechanics, classical field theory and a quantum theory for scalar fields are discussed. As a by-product of the probabilistic scheme for classical field theory, the equations of the De Donder-Weyl theory for multi-dimensional variational problems are recovered.

  19. Quantum Field and Cosmic Field-Finite Geometrical Field Theory of Matter Motion Part Three

    E-Print Network [OSTI]

    Jianhua Xiao

    2005-12-20T23:59:59.000Z

    This research establishes an operational measurement way to express the quantum field theory in a geometrical form. In four-dimensional spacetime continuum, the orthogonal rotation is defined. It forms two sets of equations: one set is geometrical equations, another set is the motion equations. The Lorentz transformation can be directly derived from the geometrical equations, and the proper time of general relativity is well expressed by time displacement field. By the motion equations, the typical time displacement field of matter motion is discussed. The research shows that the quantum field theory can be established based on the concept of orthogonal rotation. On this sense, the quantum matter motion in physics is viewed as the orthogonal rotation of spacetime continuum. In this paper, it shows that there are three typical quantum solutions. One is particle-like solution, one is generation-type solution, and one is pure wave type solution. For each typical solution, the force fields are different. Many features of quantum field can be well explained by this theoretic form. Finally, the general matter motion is discussed, the main conclusions are: (1). Geometrically, cosmic vacuum field can be described by the curvature spacetime; (2). The spatial deformation of planet is related with a planet electromagnetic field; (3). For electric charge less matter, the volume of matter will be expanding infinitely; (4).For strong electric charge matter, it shows that the volume of matter will be contracting infinitely.

  20. Emergence of equilibrium thermodynamic properties in quantum pure states. I. Theory

    E-Print Network [OSTI]

    Barbara Fresch; Giorgio J. Moro

    2010-07-21T23:59:59.000Z

    Investigation on foundational aspects of quantum statistical mechanics recently entered a renaissance period due to novel intuitions from quantum information theory and to increasing attention on the dynamical aspects of single quantum systems. In the present contribution a simple but effective theoretical framework is introduced to clarify the connections between a purely mechanical description and the thermodynamic characterization of the equilibrium state of an isolated quantum system. A salient feature of our approach is the very transparent distinction between the statistical aspects and the dynamical aspects in the description of isolated quantum systems. Like in the classical statistical mechanics, the equilibrium distribution of any property is identified on the basis of the time evolution of the considered system. As a consequence equilibrium properties of quantum system appear to depend on the details of the initial state due to the abundance of constants of the motion in the Schr\\"odinger dynamics. On the other hand the study of the probability distributions of some functions, such as the entropy or the equilibrium state of a subsystem, in statistical ensembles of pure states reveals the crucial role of typicality as the bridge between macroscopic thermodynamics and microscopic quantum dynamics. We shall consider two particular ensembles: the random pure state ensemble and the fixed expectation energy ensemble. The relation between the introduced ensembles, the properties of a given isolated system, and the standard quantum statistical description are discussed throughout the presentation. Finally we point out the conditions which should be satisfied by an ensemble in order to get meaningful thermodynamical characterization of an isolated quantum system.

  1. A quantum-dynamical theory for nonlinear optical interactions in graphene

    E-Print Network [OSTI]

    Zheshen Zhang; Paul L. Voss

    2011-06-23T23:59:59.000Z

    We use a quantum-dynamical model to investigate the optical response of graphene under low excitation power. Ultrafast carrier relaxation processes, which play an important role for understanding the optical response of graphene, are included phenomenologically into the model. We obtain analytical solutions for the linear and third-order nonlinear optical response of graphene, and four-wave mixing in particular. This theory shows agreement with recently reported experimental data on linear complex optical conductivity and four-wave mixing, providing evidence for ultrafast quantum-dephasing times of approximately 1 fs.

  2. Probing Hawking and Unruh effects and quantum field theory in curved space by geometric invariants

    E-Print Network [OSTI]

    Antonio Capolupo; Giuseppe Vitiello

    2013-11-12T23:59:59.000Z

    The presence of noncyclic geometric invariant is revealed in all the phenomena where particle generation from vacuum or vacuum condensates appear. Aharonov--Anandan invariants then can help to study such systems and can represent a new tool to be used in order to provide laboratory evidence of phenomena particulary hard to be detected, such as Hawking and Unruh effects and some features of quantum field theory in curved space simulated by some graphene morphologies. It is finally suggested that a very precise quantum thermometer can be built by exploiting geometric invariants properties.

  3. Notes on Quantum Field Theory in Curved Spacetime: Problems Relating to the Concept of Particles and Hamiltonian Formalism

    E-Print Network [OSTI]

    Vladimir Mashkevich

    2008-03-13T23:59:59.000Z

    The aim of these notes is to elucidate some aspects of quantum field theory in curved spacetime, especially those relating to the notion of particles. A selection of issues relevant to wave-particle duality is given. The case of a generic curved spacetime is outlined. A Hamiltonian formulation of quantum field theory in curved spacetime is elaborated for a preferred reference frame with a separated space metric (a static spacetime and a reductive synchronous reference frame). Applications: (1) Black hole. (2) The universe; the cosmological redshift is obtained in the context of quantum field theory.

  4. Triplet absorption in carbon nanotubes: a TD-DFT study

    E-Print Network [OSTI]

    Sergei Tretiak

    2007-02-13T23:59:59.000Z

    We predict properties of triplet excited states in single-walled carbon nanotubes (CNTs) using a time-dependent density-functional theory (TD-DFT). We show that the lowest triplet state energy in CNTs to be about 0.2-0.3 eV lower than the lowest singlet states. Like in $\\pi$-conjugated polymers, the lowest CNT triplets are spatially localized. These states show strong optical absorption at about 0.5-0.6 eV to the higher lying delocalized triplet states. These results demonstrate striking similarity of the electronic features between CNTs and $\\pi$-conjugated polymers and provide explicit guidelines for spectroscopic detection of CNT triplet states.

  5. Failure of microcausality in quantum field theory on noncommutative spacetime

    SciTech Connect (OSTI)

    Greenberg, O.W. [High Energy Physics Division, Department of Physical Sciences, University of Helsinki, FIN-00014, Helsinki (Finland)

    2006-02-15T23:59:59.000Z

    The commutator of ratio {phi}(x)*{phi}(x) ratio with {partial_derivative}{sub {mu}}{sup y} ratio {phi}(y)*{phi}(y) ratio fails to vanish at equal times and thus also fails to obey microcausality at spacelike separation even for the case in which {theta}{sup 0i}=0. The failure to obey microcausality for these sample observables implies that this form of noncommutative field theory fails to obey microcausality in general. This result holds generally when there are time derivatives in the observables. We discuss possible responses to this problem.

  6. M-Theory Brane as Giant Graviton and the Fractional Quantum Hall Effect

    E-Print Network [OSTI]

    Ran Huo

    2006-07-30T23:59:59.000Z

    A small number of M-theory branes as giant gravitons in the M-theory sector of LLM geometry is studied as a probe. The abelian way shows that the low energy effective action for M-theory brane is exactly the 2d electron subject to a vertical magnetic field. We also briefly discuss the microscopic description of M2-brane giant graviton in this geometry, in the language of a combination of D0-branes as fuzzy 2-spheres. Then we go to the well-established Noncommutative Chern-Simons theory description. After quantization, well behaved Fractional Quantum Hall Effect is demonstrated. This goes beyond the original LLM description and should be some indication of novel geometry.

  7. Comparison of quantum field perturbation theory for the light front with the theory in lorentz coordinates

    E-Print Network [OSTI]

    S. A. Paston; V. A. Franke

    1999-01-22T23:59:59.000Z

    The relationship between the perturbation theory in light-front coordinates and Lorentz-covariant perturbation theory is investigated. A method for finding the difference between separate terms of the corresponding series without their explicit evaluation is proposed. A procedure of constructing additional counter-terms to the canonical Hamiltonian that compensate this difference at any finite order is proposed. For the Yukawa model, the light-front Hamiltonian with all of these counter-terms is obtained in a closed form. Possible application of this approach to gauge theories is discussed.

  8. Quantum field theory in spaces with closed time-like curves

    SciTech Connect (OSTI)

    Boulware, D.G.

    1992-12-31T23:59:59.000Z

    Gott spacetime has closed timelike curves, but no locally anomalous stress-energy. A complete orthonormal set of eigenfunctions of the wave operator is found in the special case of a spacetime in which the total deficit angle is 27{pi}. A scalar quantum field theory is constructed using these eigenfunctions. The resultant interacting quantum field theory is not unitary because the field operators can create real, on-shell, particles in the acausal region. These particles propagate for finite proper time accumulating an arbitrary phase before being annihilated at the same spacetime point as that at which they were created. As a result, the effective potential within the acausal region is complex, and probability is not conserved. The stress tensor of the scalar field is evaluated in the neighborhood of the Cauchy horizon; in the case of a sufficiently small Compton wavelength of the field, the stress tensor is regular and cannot prevent the formation of the Cauchy horizon.

  9. Quantum field theory in spaces with closed time-like curves. [Gott space

    SciTech Connect (OSTI)

    Boulware, D.G.

    1992-01-01T23:59:59.000Z

    Gott spacetime has closed timelike curves, but no locally anomalous stress-energy. A complete orthonormal set of eigenfunctions of the wave operator is found in the special case of a spacetime in which the total deficit angle is 27[pi]. A scalar quantum field theory is constructed using these eigenfunctions. The resultant interacting quantum field theory is not unitary because the field operators can create real, on-shell, particles in the acausal region. These particles propagate for finite proper time accumulating an arbitrary phase before being annihilated at the same spacetime point as that at which they were created. As a result, the effective potential within the acausal region is complex, and probability is not conserved. The stress tensor of the scalar field is evaluated in the neighborhood of the Cauchy horizon; in the case of a sufficiently small Compton wavelength of the field, the stress tensor is regular and cannot prevent the formation of the Cauchy horizon.

  10. Effective Field Theory for the Quantum Electrodynamics of a Graphene Wire

    E-Print Network [OSTI]

    P. Faccioli; E. Lipparini

    2009-06-30T23:59:59.000Z

    We study the low-energy quantum electrodynamics of electrons and holes, in a thin graphene wire. We develop an effective field theory (EFT) based on an expansion in p/p_T, where p_T is the typical momentum of electrons and holes in the transverse direction, while p are the momenta in the longitudinal direction. We show that, to the lowest-order in (p/p_T), our EFT theory is formally equivalent to the exactly solvable Schwinger model. By exploiting such an analogy, we find that the ground state of the quantum wire contains a condensate of electron-hole pairs. The excitation spectrum is saturated by electron-hole collective bound-states, and we calculate the dispersion law of such modes. We also compute the DC conductivity per unit length at zero chemical potential and find g_s =e^2/h, where g_s=4 is the degeneracy factor.

  11. Rotational quenching of H{sub 2}O by He: Mixed quantum/classical theory and comparison with quantum results

    SciTech Connect (OSTI)

    Ivanov, Mikhail [PSL Research University, Observatoire de Paris, Sorbonne Universités, UPMC Univ Paris 06, ENS, UCP, CNRS, UMR8112, LERMA, 5 Place Janssen, 92195 Meudon (France) [PSL Research University, Observatoire de Paris, Sorbonne Universités, UPMC Univ Paris 06, ENS, UCP, CNRS, UMR8112, LERMA, 5 Place Janssen, 92195 Meudon (France); Department of Chemistry, Marquette University, Milwaukee, Wisconsin 53201-1881 (United States); Dubernet, Marie-Lise [PSL Research University, Observatoire de Paris, Sorbonne Universités, UPMC Univ Paris 06, ENS, UCP, CNRS, UMR8112, LERMA, 5 Place Janssen, 92195 Meudon (France)] [PSL Research University, Observatoire de Paris, Sorbonne Universités, UPMC Univ Paris 06, ENS, UCP, CNRS, UMR8112, LERMA, 5 Place Janssen, 92195 Meudon (France); Babikov, Dmitri, E-mail: dmitri.babikov@mu.edu [Department of Chemistry, Marquette University, Milwaukee, Wisconsin 53201-1881 (United States)] [Department of Chemistry, Marquette University, Milwaukee, Wisconsin 53201-1881 (United States)

    2014-04-07T23:59:59.000Z

    The mixed quantum/classical theory (MQCT) formulated in the space-fixed reference frame is used to compute quenching cross sections of several rotationally excited states of water molecule by impact of He atom in a broad range of collision energies, and is tested against the full-quantum calculations on the same potential energy surface. In current implementation of MQCT method, there are two major sources of errors: one affects results at energies below 10 cm{sup ?1}, while the other shows up at energies above 500 cm{sup ?1}. Namely, when the collision energy E is below the state-to-state transition energy ?E the MQCT method becomes less accurate due to its intrinsic classical approximation, although employment of the average-velocity principle (scaling of collision energy in order to satisfy microscopic reversibility) helps dramatically. At higher energies, MQCT is expected to be accurate but in current implementation, in order to make calculations computationally affordable, we had to cut off the basis set size. This can be avoided by using a more efficient body-fixed formulation of MQCT. Overall, the errors of MQCT method are within 20% of the full-quantum results almost everywhere through four-orders-of-magnitude range of collision energies, except near resonances, where the errors are somewhat larger.

  12. Quantum Field Theory of Gravity with Spinnic $\\&$ Scaling Gauge Invariance and Space-time Dynamics with Quantum Inflation

    E-Print Network [OSTI]

    Wu, Yue-Liang

    2015-01-01T23:59:59.000Z

    Treating the gravitational force on the same footing as the electroweak and strong forces, we present a quantum field theory (QFT) of gravity based on spinnic and scaling gauge symmetries. The so-called Gravifield sided on both locally flat non-coordinate space-time and globally flat Minkowski space-time is an essential ingredient for gauging global spinnic and scaling symmetries. The locally flat Gravifield space-time spanned by the Gravifield is associated with a non-commutative geometry characterized by a gauge-type field strength of Gravifield. A gauge invariant and coordinate independent action for the quantum gravity is built in the Gravifield basis, we derive equations of motion for all quantum fields with including the gravitational effect and obtain basic conservation laws for all symmetries. The equation of motion for Gravifield tensor is deduced in connection directly with the energy-momentum tensor. When the spinnic and scaling gauge symmetries are broken down to a background structure that posses...

  13. The Materials genome : rapid materials screening for renewable energy using high-throughput density functional theory

    E-Print Network [OSTI]

    Jain, Anubhav, Ph.D. Massachusetts Institute of Technology

    2011-01-01T23:59:59.000Z

    This thesis relates to the emerging field of high-throughput density functional theory (DFT) computation for materials design and optimization. Although highthroughput DFT is a promising new method for materials discovery, ...

  14. Quantum field theory in a magnetic field: From quantum chromodynamics to graphene and Dirac semimetals

    E-Print Network [OSTI]

    Miransky, Vladimir A

    2015-01-01T23:59:59.000Z

    A range of quantum field theoretical phenomena driven by external magnetic fields and their applications in relativistic systems and quasirelativistic condensed matter ones, such as graphene and Dirac/Weyl semimetals, are reviewed. We start by introducing the underlying physics of the magnetic catalysis. The dimensional reduction of the low-energy dynamics of relativistic fermions in an external magnetic field is explained and its role in catalyzing spontaneous symmetry breaking is emphasized. The general theoretical consideration is supplemented by the analysis of the magnetic catalysis in quantum electrodynamics, chromodynamics and quasirelativistic models relevant for condensed matter physics. By generalizing the ideas of the magnetic catalysis to the case of nonzero density and temperature, we argue that other interesting phenomena take place. The chiral magnetic and chiral separation effects are perhaps the most interesting among them. In addition to the general discussion of the physics underlying chira...

  15. Exchange Interaction Between Three and Four Coupled Quantum Dots: Theory and Applications to Quantum Computing

    E-Print Network [OSTI]

    Ari Mizel; Daniel A. Lidar

    2004-01-22T23:59:59.000Z

    Several prominent proposals have suggested that spins of localized electrons could serve as quantum computer qubits. The exchange interaction has been invoked as a means of implementing two qubit gates. In this paper, we analyze the strength and form of the exchange interaction under relevant conditions. We find that, when several spins are engaged in mutual interactions, the quantitative strengths or even qualitative forms of the interactions can change. It is shown that the changes can be dramatic within a Heitler-London model. Hund-Mulliken calculations are also presented, and support the qualititative conclusions from the Heitler-London model. The effects need to be considered in spin-based quantum computer designs, either as a source of gate error to be overcome or a new interaction to be exploited.

  16. Quantum field theory in a magnetic field: From quantum chromodynamics to graphene and Dirac semimetals

    E-Print Network [OSTI]

    Vladimir A. Miransky; Igor A. Shovkovy

    2015-03-02T23:59:59.000Z

    A range of quantum field theoretical phenomena driven by external magnetic fields and their applications in relativistic systems and quasirelativistic condensed matter ones, such as graphene and Dirac/Weyl semimetals, are reviewed. We start by introducing the underlying physics of the magnetic catalysis. The dimensional reduction of the low-energy dynamics of relativistic fermions in an external magnetic field is explained and its role in catalyzing spontaneous symmetry breaking is emphasized. The general theoretical consideration is supplemented by the analysis of the magnetic catalysis in quantum electrodynamics, chromodynamics and quasirelativistic models relevant for condensed matter physics. By generalizing the ideas of the magnetic catalysis to the case of nonzero density and temperature, we argue that other interesting phenomena take place. The chiral magnetic and chiral separation effects are perhaps the most interesting among them. In addition to the general discussion of the physics underlying chiral magnetic and separation effects, we also review their possible phenomenological implications in heavy-ion collisions and compact stars. We also discuss the application of the magnetic catalysis ideas for the description of the quantum Hall effect in monolayer and bilayer graphene, and conclude that the generalized magnetic catalysis, including both the magnetic catalysis condensates and the quantum Hall ferromagnetic ones, lies at the basis of this phenomenon. We also consider how an external magnetic field affects the underlying physics in a class of three-dimensional quasirelativistic condensed matter systems, Dirac semimetals. While at sufficiently low temperatures and zero density of charge carriers, such semimetals are expected to reveal the regime of the magnetic catalysis, the regime of Weyl semimetals with chiral asymmetry is realized at nonzero density...

  17. Quantum field theory in a magnetic field: From quantum chromodynamics to graphene and Dirac semimetals

    E-Print Network [OSTI]

    Vladimir A. Miransky; Igor A. Shovkovy

    2015-04-10T23:59:59.000Z

    A range of quantum field theoretical phenomena driven by external magnetic fields and their applications in relativistic systems and quasirelativistic condensed matter ones, such as graphene and Dirac/Weyl semimetals, are reviewed. We start by introducing the underlying physics of the magnetic catalysis. The dimensional reduction of the low-energy dynamics of relativistic fermions in an external magnetic field is explained and its role in catalyzing spontaneous symmetry breaking is emphasized. The general theoretical consideration is supplemented by the analysis of the magnetic catalysis in quantum electrodynamics, chromodynamics and quasirelativistic models relevant for condensed matter physics. By generalizing the ideas of the magnetic catalysis to the case of nonzero density and temperature, we argue that other interesting phenomena take place. The chiral magnetic and chiral separation effects are perhaps the most interesting among them. In addition to the general discussion of the physics underlying chiral magnetic and separation effects, we also review their possible phenomenological implications in heavy-ion collisions and compact stars. We also discuss the application of the magnetic catalysis ideas for the description of the quantum Hall effect in monolayer and bilayer graphene, and conclude that the generalized magnetic catalysis, including both the magnetic catalysis condensates and the quantum Hall ferromagnetic ones, lies at the basis of this phenomenon. We also consider how an external magnetic field affects the underlying physics in a class of three-dimensional quasirelativistic condensed matter systems, Dirac semimetals. While at sufficiently low temperatures and zero density of charge carriers, such semimetals are expected to reveal the regime of the magnetic catalysis, the regime of Weyl semimetals with chiral asymmetry is realized at nonzero density...

  18. Parallelized Solution to Semidefinite Programmings in Quantum Complexity Theory

    E-Print Network [OSTI]

    Xiaodi Wu

    2010-09-12T23:59:59.000Z

    In this paper we present an equilibrium value based framework for solving SDPs via the multiplicative weight update method which is different from the one in Kale's thesis \\cite{Kale07}. One of the main advantages of the new framework is that we can guarantee the convertibility from approximate to exact feasibility in a much more general class of SDPs than previous result. Another advantage is the design of the oracle which is necessary for applying the multiplicative weight update method is much simplified in general cases. This leads to an alternative and easier solutions to the SDPs used in the previous results \\class{QIP(2)}$\\subseteq$\\class{PSPACE} \\cite{JainUW09} and \\class{QMAM}=\\class{PSPACE} \\cite{JainJUW09}. Furthermore, we provide a generic form of SDPs which can be solved in the similar way. By parallelizing every step in our solution, we are able to solve a class of SDPs in \\class{NC}. Although our motivation is from quantum computing, our result will also apply directly to any SDP which satisfies our conditions. In addition to the new framework for solving SDPs, we also provide a novel framework which improves the range of equilibrium value problems that can be solved via the multiplicative weight update method. Before this work we are only able to calculate the equilibrium value where one of the two convex sets needs to be the set of density operators. Our work demonstrates that in the case when one set is the set of density operators with further linear constraints, we are still able to approximate the equilibrium value to high precision via the multiplicative weight update method.

  19. Quantum Simulations of Lattice Gauge Theories using Ultracold Atoms in Optical Lattices

    E-Print Network [OSTI]

    Erez Zohar; J. Ignacio Cirac; Benni Reznik

    2015-03-08T23:59:59.000Z

    Can high energy physics can be simulated by low-energy, nonrelativistic, many-body systems, such as ultracold atoms? Such ultracold atomic systems lack the type of symmetries and dynamical properties of high energy physics models: in particular, they manifest neither local gauge invariance nor Lorentz invariance, which are crucial properties of the quantum field theories which are the building blocks of the standard model of elementary particles. However, it turns out, surprisingly, that there are ways to configure atomic system to manifest both local gauge invariance and Lorentz invariance. In particular, local gauge invariance can arise either as an effective, low energy, symmetry, or as an "exact" symmetry, following from the conservation laws in atomic interactions. Hence, one could hope that such quantum simulators may lead to new type of (table-top) experiments, that shall be used to study various QCD phenomena, as the con?nement of dynamical quarks, phase transitions, and other effects, which are inaccessible using the currently known computational methods. In this report, we review the Hamiltonian formulation of lattice gauge theories, and then describe our recent progress in constructing quantum simulation of Abelian and non-Abelian lattice gauge theories in 1 + 1 and 2 + 1 dimensions using ultracold atoms in optical lattices.

  20. Stability of titanium oxide phases in Kohn-Sham density functional A well known problem in practical Kohn-Sham (KS) density functional theory (DFT) calculations is that it yields the wrong order of

    E-Print Network [OSTI]

    Bjørnstad, Ottar Nordal

    Stability of titanium oxide phases in Kohn-Sham density functional theory A well known problem of stability of titanium oxide phases at room temperature. That is, anatase instead of rutile is predicted as the room temperature phase for titanium oxide. In this work we try to establish the reasons

  1. The density of states approach for the simulation of finite density quantum field theories

    E-Print Network [OSTI]

    K. Langfeld; B. Lucini; A. Rago; R. Pellegrini; L. Bongiovanni

    2015-03-02T23:59:59.000Z

    Finite density quantum field theories have evaded first principle Monte-Carlo simulations due to the notorious sign-problem. The partition function of such theories appears as the Fourier transform of the generalised density-of-states, which is the probability distribution of the imaginary part of the action. With the advent of Wang-Landau type simulation techniques and recent advances, the density-of-states can be calculated over many hundreds of orders of magnitude. Current research addresses the question whether the achieved precision is high enough to reliably extract the finite density partition function, which is exponentially suppressed with the volume. In my talk, I review the state-of-play for the high precision calculations of the density-of-states as well as the recent progress for obtaining reliable results from highly oscillating integrals. I will review recent progress for the $Z_3$ quantum field theory for which results can be obtained from the simulation of the dual theory, which appears to free of a sign problem.

  2. Matrix product states and variational methods applied to critical quantum field theory

    E-Print Network [OSTI]

    Ashley Milsted; Jutho Haegeman; Tobias J. Osborne

    2014-05-15T23:59:59.000Z

    We study the second-order quantum phase-transition of massive real scalar field theory with a quartic interaction ($\\phi^4$ theory) in (1+1) dimensions on an infinite spatial lattice using matrix product states (MPS). We introduce and apply a naive variational conjugate gradient method, based on the time-dependent variational principle (TDVP) for imaginary time, to obtain approximate ground states, using a related ansatz for excitations to calculate the particle and soliton masses and to obtain the spectral density. We also estimate the central charge using finite-entanglement scaling. Our value for the critical parameter agrees well with recent Monte Carlo results, improving on an earlier study which used the related DMRG method, verifying that these techniques are well-suited to studying critical field systems. We also obtain critical exponents that agree, as expected, with those of the transverse Ising model. Additionally, we treat the special case of uniform product states (mean field theory) separately, showing that they may be used to investigate non-critical quantum field theories under certain conditions.

  3. Renormalization theory of a two dimensional Bose gas: quantum critical point and quasi-condensed state

    E-Print Network [OSTI]

    Serena Cenatiempo; Alessandro Giuliani

    2014-07-18T23:59:59.000Z

    We present a renormalization group construction of a weakly interacting Bose gas at zero temperature in the two-dimensional continuum, both in the quantum critical regime and in the presence of a condensate fraction. The construction is performed within a rigorous renormalization group scheme, borrowed from the methods of constructive field theory, which allows us to derive explicit bounds on all the orders of renormalized perturbation theory. Our scheme allows us to construct the theory of the quantum critical point completely, both in the ultraviolet and in the infrared regimes, thus extending previous heuristic approaches to this phase. For the condensate phase, we solve completely the ultraviolet problem and we investigate in detail the infrared region, up to length scales of the order $(\\lambda^3 \\rho_0)^{-1/2}$ (here $\\lambda$ is the interaction strength and $\\rho_0$ the condensate density), which is the largest length scale at which the problem is perturbative in nature. We exhibit violations to the formal Ward Identities, due to the momentum cutoff used to regularize the theory, which suggest that previous proposals about the existence of a non-perturbative non-trivial fixed point for the infrared flow should be reconsidered.

  4. Inelastic neutron scattering, Raman and DFT investigations of...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Inelastic neutron scattering, Raman and DFT investigations of the adsorption of phenanthrenequinone on onion-like carbon Daniela M. Anjos a , Alexander I. Kolesnikov a , Zili Wu a...

  5. approximate dft method: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    method for the calculation of the electronic in the success of DFT The optimization of new functionals depends on two factors: the functional form must of the...

  6. 3d Spinfoam Quantum Gravity: Matter as a Phase of the Group Field Theory

    E-Print Network [OSTI]

    Winston Fairbairn; Etera R. Livine

    2007-02-23T23:59:59.000Z

    An effective field theory for matter coupled to three-dimensional quantum gravity was recently derived in the context of spinfoam models in hep-th/0512113. In this paper, we show how this relates to group field theories and generalized matrix models. In the first part, we realize that the effective field theory can be recasted as a matrix model where couplings between matrices of different sizes can occur. In a second part, we provide a family of classical solutions to the three-dimensional group field theory. By studying perturbations around these solutions, we generate the dynamics of the effective field theory. We identify a particular case which leads to the action of hep-th/0512113 for a massive field living in a flat non-commutative space-time. The most general solutions lead to field theories with non-linear redefinitions of the momentum which we propose to interpret as living on curved space-times. We conclude by discussing the possible extension to four-dimensional spinfoam models.

  7. Inevitability and Importance of Non-Perturbative Elements in Quantum Field Theory

    E-Print Network [OSTI]

    Alexander P. Bakulev; Dmitry V. Shirkov

    2011-02-11T23:59:59.000Z

    The subject of the first section-lecture is concerned with the strength and the weakness of the perturbation theory (PT) approach, that is expansion in powers of a small parameter $\\alpha$, in Quantum Theory. We start with outlining a general troublesome feature of the main quantum theory instrument, the perturbation expansion method. The striking issue is that perturbation series in powers of $\\alpha \\ll 1$ is not a convergent series. The formal reason is an essential singularity of quantum amplitude (matrix element) $C(\\alpha)$ at the origin $\\alpha=0$. In many physically important cases one needs some alternative means of theoretical analysis. In particular, this refers to perturbative QCD (pQCD) in the low-energy domain. In the second section-lecture, we discuss the approach of Analytic Perturbation Theory (APT). We start with a short historic preamble and then discuss how combining the Dispersion Relation with the Renormalization Group (RG) techniques yields the APT with \\myMath{\\displaystyle e^{-1/\\alpha}} nonanalyticity. Next we consider the results of APT applications to low-energy QCD processes and show that in this approach the fourth-loop contributions, which appear to be on the asymptotic border in the pQCD approach, are of the order of a few per mil. Then we note that using the RG in QCD dictates the need to use the Fractional APT (FAPT) and describe its basic ingredients. As an example of the FAPT application in QCD we consider the pion form factor $F_\\pi(Q^2)$ calculation. At the end, we discuss the resummation of nonpower series in {(F)APT} with application to the estimation of the Higgs-boson-decay width $\\Gamma_{H\\to\\bar{b}b}(m_H^2)$.

  8. Theory of adiabatic quantum control in the presence of cavity-photon shot noise

    E-Print Network [OSTI]

    Christopher Chamberland

    2014-07-28T23:59:59.000Z

    Many areas of physics rely upon adiabatic state transfer protocols, allowing a quantum state to be moved between different physical systems for storage and retrieval or state manipulation. However, these state-transfer protocols suffer from dephasing and dissipation. In this thesis we go beyond the standard open-systems treatment of quantum dissipation allowing us to consider non-Markovian environments. We use adiabatic perturbation theory in order to give analytic descriptions for various quantum state-transfer protocols. The leading-order corrections will give rise to additional terms adding to the geometric phase preventing us from achieving a perfect fidelity. We obtain analytical descriptions for the effects of the geometric phase in non-Markovian regimes. The Markovian regime is usually treated by solving a standard Bloch-Redfield master equation, while in the non-Markovian regime, we perform a secular approximation allowing us to obtain a solution to the density matrix without solving master equations. This solution contains all the relevant phase information for our state-transfer protocol. After developing the general theoretical tools, we apply our methods to adiabatic state transfer between a four-level atom in a driven cavity. We explicitly consider dephasing effects due to unavoidable photon shot noise and give a protocol for performing a phase gate. These results will be useful to ongoing experiments in circuit quantum electrodynamics (QED) systems.

  9. Quantum Simulations of Lattice Gauge Theories using Ultracold Atoms in Optical Lattices

    E-Print Network [OSTI]

    Zohar, Erez; Reznik, Benni

    2015-01-01T23:59:59.000Z

    Can high energy physics can be simulated by low-energy, nonrelativistic, many-body systems, such as ultracold atoms? Such ultracold atomic systems lack the type of symmetries and dynamical properties of high energy physics models: in particular, they manifest neither local gauge invariance nor Lorentz invariance, which are crucial properties of the quantum field theories which are the building blocks of the standard model of elementary particles. However, it turns out, surprisingly, that there are ways to configure atomic system to manifest both local gauge invariance and Lorentz invariance. In particular, local gauge invariance can arise either as an effective, low energy, symmetry, or as an "exact" symmetry, following from the conservation laws in atomic interactions. Hence, one could hope that such quantum simulators may lead to new type of (table-top) experiments, that shall be used to study various QCD phenomena, as the con?nement of dynamical quarks, phase transitions, and other effects, which are inacc...

  10. Negative energy densities in integrable quantum field theories at one-particle level

    E-Print Network [OSTI]

    Bostelmann, Henning

    2015-01-01T23:59:59.000Z

    We study the phenomenon of negative energy densities in quantum field theories with self-interaction. Specifically, we consider a class of integrable models (including the sinh-Gordon model) in which we investigate the expectation value of the energy density in one-particle states. In this situation, we classify the possible form of the stress-energy tensor from first principles. We show that one-particle states with negative energy density generically exist in non-free situations, and we establish lower bounds for the energy density (quantum energy inequalities). Demanding that these inequalities hold reduces the ambiguity in the stress-energy tensor, in some situations fixing it uniquely. Numerical results for the lowest spectral value of the energy density allow us to demonstrate how negative energy densities depend on the coupling constant and on other model parameters.

  11. Negative energy densities in integrable quantum field theories at one-particle level

    E-Print Network [OSTI]

    Henning Bostelmann; Daniela Cadamuro

    2015-02-05T23:59:59.000Z

    We study the phenomenon of negative energy densities in quantum field theories with self-interaction. Specifically, we consider a class of integrable models (including the sinh-Gordon model) in which we investigate the expectation value of the energy density in one-particle states. In this situation, we classify the possible form of the stress-energy tensor from first principles. We show that one-particle states with negative energy density generically exist in non-free situations, and we establish lower bounds for the energy density (quantum energy inequalities). Demanding that these inequalities hold reduces the ambiguity in the stress-energy tensor, in some situations fixing it uniquely. Numerical results for the lowest spectral value of the energy density allow us to demonstrate how negative energy densities depend on the coupling constant and on other model parameters.

  12. Quantum theory of a two-mode open-cavity laser

    E-Print Network [OSTI]

    V. Eremeev; S. E. Skipetrov; M. Orszag

    2011-08-25T23:59:59.000Z

    We develop the quantum theory of an open-cavity laser assuming that only two modes compete for gain. We show that the modes interact to build up a collective mode that becomes the lasing mode when pumping exceeds a threshold. This collective mode exhibits all the features of a typical laser mode, whereas its precise behavior depends explicitly on the openness of the cavity. We approach the problem by using the density-matrix formalism and derive the master equation for the light field. Our results are of particular interest in the context random laser systems.

  13. Commutativity of Substitution and Variation in Actions of Quantum Field Theory

    E-Print Network [OSTI]

    Zhong Chao Wu

    2009-11-11T23:59:59.000Z

    There exists a paradox in quantum field theory: substituting a field configuration which solves a subset of the field equations into the action and varying it is not necessarily equivalent to substituting that configuration into the remaining field equations. We take the $S^4$ and Freund-Rubin-like instantons as two examples to clarify the paradox. One must match the specialized configuration field variables with the corresponding boundary conditions by adding appropriate Legendre terms to the action. Some comments are made regarding exceptional degenerate cases.

  14. Cosmological Constant as Vacuum Energy Density of Quantum Field Theories on Noncommutative Spacetime

    E-Print Network [OSTI]

    Xiao-Jun Wang

    2004-12-15T23:59:59.000Z

    We propose a new approach to understand hierarchy problem for cosmological constant in terms of considering noncommutative nature of space-time. We calculate that vacuum energy density of the noncommutative quantum field theories in nontrivial background, which admits a smaller cosmological constant by introducing an higher noncommutative scale $\\mu_{NC}\\sim M_p$. The result $\\rho_\\Lambda\\sim 10^{-6}\\Lambda_{SUSY}^8M_p^4/\\mu_{NC}^8$ yields cosmological constant at the order of current observed value for supersymmetry breaking scale at 10TeV. It is the same as Banks' phenomenological formula for cosmological constant.

  15. The harmonic oscillator with dissipation within the theory of open quantum systems

    E-Print Network [OSTI]

    A. Isar

    2005-08-18T23:59:59.000Z

    Time evolution of the expectation values of various dynamical operators of the harmonic oscillator with dissipation is analitically obtained within the framework of the Lindblad theory for open quantum systems. We deduce the density matrix of the damped harmonic oscillator from the solution of the Fokker-Planck equation for the coherent state representation, obtained from the master equation for the density operator. The Fokker-Planck equation for the Wigner distribution function, subject to either the Gaussian type or the $\\delta$-function type of initial conditions, is also solved by using the Wang-Uhlenbeck method. The obtained Wigner functions are two-dimensional Gaussians with different widths.

  16. Published in The Theory of the Quantum World (Proceedings of the 25th Solvay Conference on Physics) (eds: David Gross, Marc Henneaux & Alexander Sevrin) Singapore: World

    E-Print Network [OSTI]

    Berry, Michael Victor

    1 Published in The Theory of the Quantum World (Proceedings of the 25th Solvay Conference Contribution to Solvay Conference 2011 Like many other limiting connections between physical theories [1, 2

  17. Three-dimensional theory of quantum memories based on {Lambda}-type atomic ensembles

    SciTech Connect (OSTI)

    Zeuthen, Emil; Grodecka-Grad, Anna; Soerensen, Anders S. [QUANTOP, Danish National Research Foundation Center for Quantum Optics, Niels Bohr Institute, University of Copenhagen, DK-2100 Copenhagen O (Denmark)

    2011-10-15T23:59:59.000Z

    We develop a three-dimensional theory for quantum memories based on light storage in ensembles of {Lambda}-type atoms, where two long-lived atomic ground states are employed. We consider light storage in an ensemble of finite spatial extent and we show that within the paraxial approximation the Fresnel number of the atomic ensemble and the optical depth are the only important physical parameters determining the quality of the quantum memory. We analyze the influence of these parameters on the storage of light followed by either forward or backward read-out from the quantum memory. We show that for small Fresnel numbers the forward memory provides higher efficiencies, whereas for large Fresnel numbers the backward memory is advantageous. The optimal light modes to store in the memory are presented together with the corresponding spin waves and outcoming light modes. We show that for high optical depths such {Lambda}-type atomic ensembles allow for highly efficient backward and forward memories even for small Fresnel numbers F(greater-or-similar sign)0.1.

  18. Applications of Canonical transformations and nontrivial vacuum solutions to flavor mixing and critical phenomena in quantum field theory

    SciTech Connect (OSTI)

    Mishchenko, Yuriy

    2004-12-01T23:59:59.000Z

    MISHCHENKO, YURIY. Applications of Canonical Transformations and Nontrivial Vacuum Solutions to flavor mixing and critical phenomena in Quantum Field Theory. (Under the direction of Chueng-Ryong Ji.) In this dissertation we consider two recent applications of Bogoliubov Transformation to the phenomenology of quantum mixing and the theory of critical phenomena. In recent years quantum mixing got in the focus of the searches for New Physics due to its unparalleled sensitivity to SM parameters and indications of neutrino mixing. It was recently suggested that Bogoliubov Transformation may be important in proper definition of the flavor states that otherwise results in problems in perturbative treatment. As first part of this dissertation we investigate this conjecture and develop a complete formulation of such a mixing field theory involving introduction of general formalism, analysis of space-time conversion and phenomenological implications. As second part of this dissertati

  19. Wormhole Spaces, Connes' "Points, Speaking to Each Other", and the Translocal Structure of Quantum Theory

    E-Print Network [OSTI]

    Manfred Requardt

    2004-03-17T23:59:59.000Z

    We amalgamate three seemingly quite different fields of concepts and phenomena and argue that they actually represent closely related aspects of a more primordial space-time structure called by us wormhole spaces. Connes' framework of non-commutative topological spaces and ``points, speaking to each other'', a translocal web of (cor)relations, being hidden in the depth-structure of our macroscopic space-time and made visible by the application of a new geometric renormalisation process, and the apparent but difficult to understand translocal features of quantum theory. We argue that the conception of our space-time continuum as being basically an aggregate of structureless points is almost surely to poor and has to be extended and that the conceptual structure of quantum theory, in particular its translocal features like e.g. entanglement and complex superposition, are exactly a mesoscopic consequence of this microscopic wormhole structure. We emphasize the close connections with the ``small world phenomenon'' and rigorously show that the micro state of our space-time, viewed as a dynamical system, has to be critical in a scale free way as recently observed in other fields of network science. We then briefly indicate the mechanisms by which this non-local structure manages to appear in a seemingly local disguise on the surface level, thus invoking a certain Machian spirit.

  20. Including screening in van der Waals corrected density functional theory calculations: The case of atoms and small molecules physisorbed on graphene

    SciTech Connect (OSTI)

    Silvestrelli, Pier Luigi; Ambrosetti, Alberto [Dipartimento di Fisica e Astronomia, Università di Padova, via Marzolo 8, I–35131 Padova, Italy and DEMOCRITOS National Simulation Center of the Italian Istituto Officina dei Materiali (IOM) of the Italian National Research Council (CNR), Trieste (Italy)] [Dipartimento di Fisica e Astronomia, Università di Padova, via Marzolo 8, I–35131 Padova, Italy and DEMOCRITOS National Simulation Center of the Italian Istituto Officina dei Materiali (IOM) of the Italian National Research Council (CNR), Trieste (Italy)

    2014-03-28T23:59:59.000Z

    The Density Functional Theory (DFT)/van der Waals-Quantum Harmonic Oscillator-Wannier function (vdW-QHO-WF) method, recently developed to include the vdW interactions in approximated DFT by combining the quantum harmonic oscillator model with the maximally localized Wannier function technique, is applied to the cases of atoms and small molecules (X=Ar, CO, H{sub 2}, H{sub 2}O) weakly interacting with benzene and with the ideal planar graphene surface. Comparison is also presented with the results obtained by other DFT vdW-corrected schemes, including PBE+D, vdW-DF, vdW-DF2, rVV10, and by the simpler Local Density Approximation (LDA) and semilocal generalized gradient approximation approaches. While for the X-benzene systems all the considered vdW-corrected schemes perform reasonably well, it turns out that an accurate description of the X-graphene interaction requires a proper treatment of many-body contributions and of short-range screening effects, as demonstrated by adopting an improved version of the DFT/vdW-QHO-WF method. We also comment on the widespread attitude of relying on LDA to get a rough description of weakly interacting systems.

  1. Theoretical study of the ammonia nitridation rate on an Fe (100) surface: A combined density functional theory and kinetic Monte Carlo study

    E-Print Network [OSTI]

    Yeo, Sang Chul

    Ammonia (NH[subscript 3]) nitridation on an Fe surface was studied by combining density functional theory (DFT) and kinetic Monte Carlo (kMC) calculations. A DFT calculation was performed to obtain the energy barriers ...

  2. Session #1: Cutting Edge Methodologies--Beyond Current DFT

    Broader source: Energy.gov (indexed) [DOE]

    dimer PBE LDA Exp CCSD(T) LDA PBE vdW Interaction between H 2 and Carbon PBE Graphene CCSD(T) LDA Benzene omitted in the LDA and GGA van der Walls (vdW)-DFT: Langreth,...

  3. New Development of Self-Interaction Corrected DFT for Extended...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    DFT-SIC calculation can be carried out efficiently even for extended systems. Using this new development the formation energies of defects in 3C-SiC were calculated and compared...

  4. A unified quantum theory II: gravity interacting with Yang-Mills and spinor fields

    E-Print Network [OSTI]

    Claus Gerhardt

    2014-03-24T23:59:59.000Z

    We quantize the interaction of gravity with Yang-Mills and spinor fields, hence offering a quantum theory incorporating all four fundamental forces of nature. Using canonical quantization we obtain solutions of the Wheeler-DeWitt equation in a vector bundle and the method of second quantization leads to a symplectic vector space $(V,\\om)$ and a corresponding CCR representation for the bosonic components and a CAR representation for the fermionic part. The solution space of the Wheeler-DeWitt equation is invariant under gauge transformations and under isometries in the spacelike base space $\\so$ of a given Riemannian metric $\\rho_{ij}$. We also define a net of local subalgebras which satisfy four of the Haag-Kastler axioms.

  5. Diffeomorphism invariant Quantum Field Theories of Connections in terms of webs

    E-Print Network [OSTI]

    Jerzy Lewandowski; Thomas Thiemann

    1999-01-07T23:59:59.000Z

    In the canonical quantization of gravity in terms of the Ashtekar variables one uses paths in the 3-space to construct the quantum states. Usually, one restricts oneself to families of paths admitting only finite number of isolated intersections. This assumption implies a limitation on the diffeomorphisms invariance of the introduced structures. In this work, using the previous results of Baez and Sawin, we extend the existing results to a theory admitting all the possible piecewise smooth finite paths and loops. In particular, we $(i)$ characterize the spectrum of the Ashtekar-Isham configuration space, $(ii)$ introduce spin-web states, a generalization of the spin-network states, $(iii)$ extend the diffeomorphism averaging to the spin-web states and derive a large class of diffeomorphism invariant states and finally $(iv)$ extend the 3-geometry operators and the Hamiltonian operator.

  6. Asymptotic states and renormalization in Lorentz-violating quantum field theory

    E-Print Network [OSTI]

    Mauro Cambiaso; Ralf Lehnert; Robertus Potting

    2014-09-09T23:59:59.000Z

    Asymptotic single-particle states in quantum field theories with small departures from Lorentz symmetry are investigated perturbatively with focus on potential phenomenological ramifications. To this end, one-loop radiative corrections for a sample Lorentz-violating Lagrangian contained in the Standard-Model Extension (SME) are studied at linear order in Lorentz breakdown. It is found that the spinor kinetic operator, and thus the free-particle physics, is modified by Lorentz-violating operators absent from the original Lagrangian. As a consequence of this result, both the standard renormalization procedure as well as the Lehmann-Symanzik-Zimmermann reduction formalism need to be adapted. The necessary adaptations are worked out explicitly at first order in Lorentz-breaking coefficients.

  7. Subsystem Density-Functional Theory as an Effective Tool for Modeling Ground and Excited States, their Dynamics, and Many-Body Interactions

    E-Print Network [OSTI]

    Krishtal, Alisa; Genova, Alessandro; Pavanello, Michele

    2015-01-01T23:59:59.000Z

    Subsystem Density-Functional Theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to the computation of condensed phase systems, their excited states, and the evaluation of many-body interactions between the subsystems. As subsystem DFT is in principle an exact theory, any advance in this field can have a dual role. One is the possible applicability of a resulting method in practical calculations. The other is the possibility of shedding light on some quantum-mechanical phenomenon which is more easily treated by subdividing a supersystem into subsystems. An example of the latter is many-body interactions. In the discussion, we present some recent work from our research group as well as some new results, casting them in the current state-of-the-art in this review as comprehensively as possible.

  8. A Review of Unitary Quantum Premeasurement Theory An Algebraic Study of Basic Kinds of Premeasurements

    E-Print Network [OSTI]

    Fedor Herbut

    2014-12-25T23:59:59.000Z

    A detailed theory of quantum premeasurement dynamics is presented in which a unitary composite-system operator that contains the relevant object-measuring-instrument interaction brings about the final premeasurement state. It does not include collapse, and it does not consider the environment. It is assumed that a discrete degenerate or non-degenerate observable is measured. Premeasurement is defined by the calibration condition, which requires that every initially statistically sharp value of the measured observable has to be detected with statistical certainty by the measuring instrument. The entire theory is derived as a logical consequence of this definition using the standard quantum formalism. The study has a comprehensive coverage, hence the article is actually a topical review. Connection is made with results of other authors, particularly with basic works on premeasurement. The article is a conceptual review, not a historical one. General exact premeasurement is defined in 7 equivalent ways. Nondemolition premeasurement, defined by requiring preservation of any sharp value of the measured observable, is characterized in 10 equivalent ways. Overmeasurement, i. e., a process in which the observable is measured on account of being a function of a finer observable that is actually measured, is discussed. Disentangled premeasurement, in which, by definition, to each result corresponds only one pointer-observable state in the final composite-system state, is investigated. Ideal premeasurement, a special case of both nondemolition premeasurement and disentangled premeasurement, is defined, and its most important properties are discussed. Finally, disentangled and entangled premeasurements, in conjunction with nondemolition or demolition premeasurements, are used for classification of all premeasurements.

  9. Bohr - Planck quantum theory, (Tesla) magnetic monopoles and fine structure constant

    E-Print Network [OSTI]

    Vladan Pankovic; Darko V. Kapor; Stevica Djurovic; Miodrag Krmar

    2014-10-17T23:59:59.000Z

    In this work we apply Bohr-Planck (Old quantum atomic and radiation) theory, i.e. and quasi-classical methods for analysis of the magnetic monopoles and other problems. We reproduce exactly some basic elements of the Dirac magnetic monopoles theory, especially Dirac electric/magnetic charge quantization condition. Also, we suggest a new, effective, simply called Tesla model (for analogy with positions of the solenoids by Tesla inductive motor) of the magnetic monopole instead of usual effective Dirac model (half-infinite, very tinny solenoid) of the magnetic monopole. In our, i.e. Tesla model we use three equivalent tiny solenoids connected in series with a voltage source. One end of any solenoid is placed at the circumference of a circle and solenoids are directed radial toward circle center. Length of any solenoid is a bit smaller than finite circle radius so that other end of any solenoid is very close to the circle center. Angles between neighboring solenoids equal $120^{\\circ}$. All this implies that, practically, there is no magnetic field, or, magnetic pole, e.g. $S$, in the circle center, and that whole system holds only other, $N$ magnetic pole, at the ends of the solenoids at circle circumference. Finally, we reproduce relatively satisfactory value of the fine structure constant using Planck, i.e. Bose-Einstein statistics and Wien displacement law.

  10. Engineering of Quantum Hall Effect from Type IIA String Theory on The K3 Surface

    E-Print Network [OSTI]

    Adil Belhaj; Antonio Segui

    2010-07-02T23:59:59.000Z

    Using D-brane configurations on the K3 surface, we give six dimensional type IIA stringy realizations of the Quantum Hall Effect (QHE) in 1+2 dimensions. Based on the vertical and horizontal lines of the K3 Hodge diamond, we engineer two different stringy realizations. The vertical line presents a realization in terms of D2 and D6-branes wrapping the K3 surface. The horizontal one is associated with hierarchical stringy descriptions obtained from a quiver gauge theory living on a stack of D4-branes wrapping intersecting 2-spheres embedded in the K3 surface with deformed singularities. These geometries are classified by three kinds of the Kac-Moody algebras: ordinary, i.e finite dimensional, affine and indefinite. We find that no stringy QHE in 1+2 dimensions can occur in the quiver gauge theory living on intersecting 2-spheres arranged as affine Dynkin diagrams. Stringy realizations of QHE can be done only for the finite and indefinite geometries. In particular, the finite Lie algebras give models with fractional filling fractions, while the indefinite ones classify models with negative filling fractions which can be associated with the physics of holes in the graphene.

  11. A Non-Riemannian Metric on Space-Time Emergent From Scalar Quantum Field Theory

    E-Print Network [OSTI]

    Kar, Arnab

    2012-01-01T23:59:59.000Z

    We show that the standard deviation \\sigma(x,x') = \\sqrt{} of a scalar quantum field theory is a metric (i.e., a symmetric positive function satisfying the triangle inequality) on space-time (with imaginary time). It is very different from the Euclidean metric |x-x'|: for four dimensional free scalar field theory, \\sigma(x,x') \\to \\frac{\\sigma_{4}}{a^{2}} -\\frac{\\sigma_{4}'}{|x-x'|^{2}} + \\mathrm{O}(|x-x'|^{-3}), as |x-x'|\\to\\infty. According to \\sigma, space-time has a finite diameter \\frac{\\sigma_{4}}{a^{2}} which is not universal (i.e., depends on the UV cut-off a and the regularization method used). The Lipschitz equivalence class of the metric is independent of the cut-off. \\sigma(x,x') is not the length of the geodesic in any Riemannian metric, as it does not have the intermediate point property: for a pair (x,x') there is in general no point x" such that \\sigma(x,x')=\\sigma(x,x")+\\sigma(x",x'). Nevertheless, it is possible to embed space-time in a higher dimensional space of negative curvature so that ...

  12. Molecular properties via a subsystem formulation: A common framework for WFT-in-DFT and DFT-in-DFT embedding

    E-Print Network [OSTI]

    Boyer, Edmond

    case in which coupled cluster theory is used to obtain the density and excitation energies for benchmark and highly accurate studies, they are still too demanding for standard applications. Another

  13. On Conformal Field Theory and Number Theory

    E-Print Network [OSTI]

    Huang, An

    2011-01-01T23:59:59.000Z

    Frontiers in Number Theory, Physics, and Ge- ometry II. (Witten, Quantum Field Theory, Crassmannians, and AlgebraicJ. Polchinski, String Theory, Vol. 1, Cambridge Univ.

  14. Quantum field theory in curved graphene spacetimes, Lobachevsky geometry, Weyl symmetry, Hawking effect, and all that

    E-Print Network [OSTI]

    Alfredo Iorio; Gaetano Lambiase

    2014-12-15T23:59:59.000Z

    The solutions of many issues, of the ongoing efforts to make deformed graphene a tabletop quantum field theory in curved spacetimes, are presented. A detailed explanation of the special features of curved spacetimes, originating from embedding portions of the Lobachevsky plane into $\\mathbf{R}^3$, is given, and the special role of coordinates for the physical realizations in graphene, is explicitly shown, in general, and for various examples. The Rindler spacetime is reobtained, with new important differences with respect to earlier results. The de Sitter spacetime naturally emerges, for the first time, paving the way to future applications in cosmology. The role of the BTZ black hole is also briefly addressed. The singular boundary of the pseudospheres, "Hilbert horizon", is seen to be closely related to event horizon of the Rindler, de Sitter, and BTZ kind. This gives new, and stronger, arguments for the Hawking phenomenon to take place. An important geometric parameter, $c$, overlooked in earlier work, takes here its place for physical applications, and it is shown to be related to graphene's lattice spacing, $\\ell$. It is shown that all surfaces of constant negative curvature, ${\\cal K} = -r^{-2}$, are unified, in the limit $c/r \\to 0$, where they are locally applicable to the Beltrami pseudosphere. This, and $c = \\ell$, allow us a) to have a phenomenological control on the reaching of the horizon; b) to use spacetimes different than Rindler for the Hawking phenomenon; c) to approach the generic surface of the family. An improved expression for the thermal LDOS is obtained. A non-thermal term for the total LDOS is found. It takes into account: a) the peculiarities of the graphene-based Rindler spacetime; b) the finiteness of a laboratory surface; c) the optimal use of the Minkowski quantum vacuum, through the choice of this Minkowski-static boundary.

  15. Quantum Signatures of Spacetime Graininess Quantum Signatures of Spacetime

    E-Print Network [OSTI]

    Quantum Field Theory on Noncommutative Spacetime Implementing Poincaré Symmetry Hopf Algebras, Drinfel Quantum Mechanics on Noncommutative Spacetime 4 Quantum Field Theory on Noncommutative Spacetime Covariant Derivatives and Field Strength Noncommutative Gauge Theories 6 Signatures of Spin

  16. Publisher's Note: Correlation of photon pairs from the double Raman amplifier: Generalized analytical quantum Langevin theory (vol 75, pg 013820, 2007)

    E-Print Network [OSTI]

    Ooi, C. H. Raymond; Sun, Qingqing; Zubairy, M. Suhail; Scully, Marlan O.

    2007-01-01T23:59:59.000Z

    Publisher?s Note: Correlation of photon pairs from the double Raman amplifier: Generalized analytical quantum Langevin theory [Phys. Rev. A 75, 013820 (2007)] C. H. Raymond Ooi, Qingqing Sun, M. Suhail Zubairy, and Marlan O. Scully #1;Received 1...

  17. From Quantum Field Theory to Nano-Optics : Refractive Properties of Graphene in a Medium-Strong Magnetic field

    E-Print Network [OSTI]

    Olivier Coquand; Bruno Machet

    2014-07-08T23:59:59.000Z

    1-loop quantum corrections are shown to induce large effects on the refraction index n inside a graphene strip in the presence of an external magnetic field B orthogonal to it. To this purpose, we use the tools of Quantum Field Theory to calculate the photon propagator at 1-loop inside graphene in position space, which leads to an effective vacuum polarization in a brane-like theory of photons interacting with massless electrons at locations confined inside the thin strip (its longitudinal spread is considered to be infinite). The effects factorize into quantum ones, controlled by the value of B and that of the electromagnetic coupling alpha, and a "transmittance function" U in which the geometry of the sample and the resulting confinement of electrons play the major roles. We consider photons inside the visible spectrum and magnetic fields in the range 1-20 Teslas. At B=0, quantum effects depend very weakly on alpha and n is essentially controlled by U; we recover, then, an opacity for visible light of the same order of magnitude pi * alpha_{vac} as measured experimentally.

  18. Multichannel quantum defect theory for ro-vibrational transitions in ultracold molecule-molecule collisions

    E-Print Network [OSTI]

    Hazra, Jisha; Balakrishnan, N; Bohn, John L

    2014-01-01T23:59:59.000Z

    Multichannel quantum defect theory (MQDT) has been widely applied to resonant and non-resonant scattering in a variety of atomic collision processes. In recent years, the method has been applied to cold collisions with considerable success, and it has proven to be a computationally viable alternative to full-close coupling (CC) calculations when spin, hyperfine and external field effects are included. In this paper, we describe a hybrid approach for molecule-molecule scattering that includes the simplicity of MQDT while treating the short-range interaction explicitly using CC calculations. This hybrid approach, demonstrated for H$_2$-H$_2$ collisions in full-dimensionality, is shown to adequately reproduce cross sections for quasi-resonant rotational and vibrational transitions in the ultracold (1$\\mu$K) and $\\sim$ 1-10 K regime spanning seven orders of magnitude. It is further shown that an energy-independent short-range $K$-matrix evaluated in the ultracold regime (1$\\mu$K) can adequately characterize cross...

  19. Error Analysis in Nuclear Density Functional Theory

    E-Print Network [OSTI]

    Nicolas Schunck; Jordan D. McDonnell; Jason Sarich; Stefan M. Wild; Dave Higdon

    2014-07-11T23:59:59.000Z

    Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the formation of elements in the universe or the mechanisms that power stars and reactors. The predictive power of the theory depends on the amount of physics embedded in the energy density functional as well as on efficient ways to determine a small number of free parameters and solve the DFT equations. In this article, we discuss the various sources of uncertainties and errors encountered in DFT and possible methods to quantify these uncertainties in a rigorous manner.

  20. (E)-2-[(2-Bromophenylimino)methyl]-5-methoxyphenol: X-ray and DFT-calculated structures

    SciTech Connect (OSTI)

    Kosar, B., E-mail: bkosar@omu.edu.tr; Albayrak, C. [Sinop University, Faculty of Education (Turkey); Odabasoglu, M. [Pamukkale University, Chemistry Program (Turkey); Bueyuekguengoer, O. [Ondokuz Mayis University, Faculty of Arts and Sciences (Turkey)

    2010-12-15T23:59:59.000Z

    The crystal structure of (E)-2-[(2-Bromophenylimino)methyl]-5-methoxyphenol is determined by using X-ray diffraction and then the molecular structure is investigated with density functional theory (DFT). X-Ray study shows that the title compound has a strong intramolecular O-H-N hydrogen bond and three dimensional crystal structure is primarily determined by C-H-{pi} and weak van der Waals interactions. The strong O-H-N bond is an evidence of the preference for the phenol-imine tautomeric form in the solid state. Optimized molecular geometry is calculated with DFT at the B3LYP/6-31G(d,p) level. The IR spectra of compound were recorded experimentally and calculated to compare with each other. The results from both experiment and theoretical calculations are compared in this study.

  1. A Proposed Alternative Low Energy Quantum Field Theory of Gravity Based on a Bose-Einstein Condensate Effect

    E-Print Network [OSTI]

    Oshmyansky, A

    2007-01-01T23:59:59.000Z

    An alternative quantum field theory for gravity is proposed for low energies based on an attractive effect between contaminants in a Bose-Einstein Condensate rather than on particle exchange. In the ``contaminant in condensate effect," contaminants cause a potential in an otherwise uniform condensate, forcing the condensate between two contaminants to a higher energy state. The energy of the system decreases as the contaminants come closer together, causing an attractive force between contaminants. It is proposed that mass-energy may have a similar effect on Einstein's space-time field, and gravity is quantized by the same method by which the contaminant in condensate effect is quantized. The resulting theory is finite and, if a physical condensate is assumed to underly the system, predictive. However, the proposed theory has several flaws at high energies and is thus limited to low energies. Falsifiable predictions are given for the case that the Higgs condensate is assumed to be the condensate underlying gr...

  2. A Proposed Alternative Low Energy Quantum Field Theory of Gravity Based on a Bose-Einstein Condensate Effect

    E-Print Network [OSTI]

    Alexander Oshmyansky

    2007-03-08T23:59:59.000Z

    An alternative quantum field theory for gravity is proposed for low energies based on an attractive effect between contaminants in a Bose-Einstein Condensate rather than on particle exchange. In the ``contaminant in condensate effect," contaminants cause a potential in an otherwise uniform condensate, forcing the condensate between two contaminants to a higher energy state. The energy of the system decreases as the contaminants come closer together, causing an attractive force between contaminants. It is proposed that mass-energy may have a similar effect on Einstein's space-time field, and gravity is quantized by the same method by which the contaminant in condensate effect is quantized. The resulting theory is finite and, if a physical condensate is assumed to underly the system, predictive. However, the proposed theory has several flaws at high energies and is thus limited to low energies. Falsifiable predictions are given for the case that the Higgs condensate is assumed to be the condensate underlying gravity.

  3. Deformations of Quantum Field Theories and the Construction of Interacting Models

    E-Print Network [OSTI]

    Sabina Alazzawi

    2015-03-03T23:59:59.000Z

    The subject of this thesis is the rigorous construction of QFT models with nontrivial interaction. Two different approaches in the framework of AQFT are discussed. On the one hand, an inverse scattering problem is considered. A given factorizing S-matrix is thereby taken as the starting point of the construction. The particle spectrum taken into account involves an arbitrary number of massive particle species, transforming under a global gauge group. Starting from known wedge-local auxiliary fields, the transition to local theories is shown. To his end, we make use of the modular nuclearity condition and investigate certain maps from the wedge algebras, generated by the auxiliary fields, to the considered Hilbert space. Under a very plausible conjecture it is shown that these maps are nuclear, which implies the nontriviality of algebras associated with bounded regions in the sense that the Reeh-Schlieder property holds. A large class of integrable models with factorizing S-matrices in 1+1 dimensions can be constructed in this way. Among them are the O(N)-invariant nonlinear sigma-models. Deformation techniques, on the other hand, constitute a method of construction which may be applied in arbitrary spacetime dimensions. This approach starts from a known quantum field theoretic model which is subjected to a certain modification. Here, concretely, the model of a scalar massive Fermion was deformed. The emerging models are based on wedge-local fields, allowing for the computation of the two-particle S-matrix. The resulting scattering matrix depends on the deformation and differs from the one of the initial model. By restricting to 1+1 dimensions, the deformation method yields a large class of integrable models with factorizing S-matrices, including the Sinh-Gordon model.

  4. Theory of Electro-optic Modulation via a Quantum Dot Coupled to a Nano-resonator

    E-Print Network [OSTI]

    Arka Majumdar; Nicolas Manquest; Andrei Faraon; Jelena Vuckovic

    2009-11-27T23:59:59.000Z

    In this paper, we analyze the performance of an electro-optic modulator based on a single quantum dot strongly coupled to a nano-resonator, where electrical control of the quantum dot frequency is achieved via quantum confined Stark effect. Using realistic system parameters, we show that modulation speeds of a few tens of GHz are achievable with this system, while the energy per switching operation can be as small as 0.5 fJ. In addition, we study the non-linear distortion, and the effect of pure quantum dot dephasing on the performance of the modulator.

  5. Perturbation Theory Based on Darboux Transformation on One-Dimensional Dirac Equation in Quantum Computation

    E-Print Network [OSTI]

    Agung Trisetyarso

    2014-11-23T23:59:59.000Z

    We present the recent works \\cite{trisetyarso2011} on the application of Darboux transformation on one-dimensional Dirac equation related to the field of Quantum Information and Computation (QIC). The representation of physical system in one-dimensional equation and its transformation due to the Bagrov, Baldiotti, Gitman, and Shamshutdinova (BBGS)-Darboux transformation showing the possibility admitting the concept of relativity and the trade-off of concurrent condition of quantum and classical physics play into the area of QIC. The applications in cavity quantum electrodynamics and on the proposal of quantum transistor are presented.

  6. Six-dimensional supersymmetric gauge theories, quantum cohomology of instanton moduli spaces and gl(N) Quantum Intermediate Long Wave Hydrodynamics

    E-Print Network [OSTI]

    Giulio Bonelli; Antonio Sciarappa; Alessandro Tanzini; Petr Vasko

    2014-05-07T23:59:59.000Z

    We show that the exact partition function of U(N) six-dimensional gauge theory with eight supercharges on C^2 x S^2 provides the quantization of the integrable system of hydrodynamic type known as gl(N) periodic Intermediate Long Wave (ILW). We characterize this system as the hydrodynamic limit of elliptic Calogero-Moser integrable system. We compute the Bethe equations from the effective gauged linear sigma model on S^2 with target space the ADHM instanton moduli space, whose mirror computes the Yang-Yang function of gl(N) ILW. The quantum Hamiltonians are given by the local chiral ring observables of the six-dimensional gauge theory. As particular cases, these provide the gl(N) Benjamin-Ono and Korteweg-de Vries quantum Hamiltonians. In the four dimensional limit, we identify the local chiral ring observables with the conserved charges of Heisenberg plus W_N algebrae, thus providing a gauge theoretical proof of AGT correspondence.

  7. Quantum Thermodynamics

    E-Print Network [OSTI]

    Ronnie Kosloff

    2013-05-10T23:59:59.000Z

    Quantum thermodynamics addresses the emergence of thermodynamical laws from quantum mechanics. The link is based on the intimate connection of quantum thermodynamics with the theory of open quantum systems. Quantum mechanics inserts dynamics into thermodynamics giving a sound foundation to finite-time-thermodynamics. The emergence of the 0-law I-law II-law and III-law of thermodynamics from quantum considerations is presented. The emphasis is on consistence between the two theories which address the same subject from different foundations. We claim that inconsistency is the result of faulty analysis pointing to flaws in approximations.

  8. Real-Time Transport in Open Quantum Systems From $\\mathcal{PT}$-Symmetric Quantum Mechanics

    E-Print Network [OSTI]

    Justin E. Elenewski; Hanning Chen

    2014-08-07T23:59:59.000Z

    Nanoscale electronic transport is of intense technological interest, with applications ranging from semiconducting devices and molecular junctions to charge migration in biological systems. Most explicit theoretical approaches treat transport using a combination of density functional theory (DFT) and non-equilibrium Green's functions. This is a static formalism, with dynamic response properties accommodated only through complicated extensions. To circumvent this limitation, the carrier density may be propagated using real-time time-dependent DFT (RT-TDDFT), with boundary conditions corresponding to an open quantum system. Complex absorbing potentials can emulate outgoing particles at the simulation boundary, although these do not account for introduction of charge density. It is demonstrated that the desired positive particle flux is afforded by a class of $\\mathcal{PT}$-symmetric generating potentials that are characterized by anisotropic transmission resonances. These potentials add density every time a particle traverses the cell boundary, and may be used to engineer a continuous pulse train for incident packets. This is a first step toward developing a complete transport formalism unique to RT-TDDFT.

  9. Analyticity of the scattering amplitude, causality, and high-energy bounds in quantum field theory on noncommutative space-time

    SciTech Connect (OSTI)

    Tureanu, Anca [High Energy Physics Division, Department of Physical Sciences, University of Helsinki and Helsinki Institute of Physics, P.O. Box 64, FIN-00014 Helsinki (Finland)

    2006-09-15T23:59:59.000Z

    In the framework of quantum field theory on noncommutative space-time with the symmetry group O(1,1)xSO(2), we prove that the Jost-Lehmann-Dyson representation, based on the causality condition taken in connection with this symmetry, leads to the mere impossibility of drawing any conclusion on the analyticity of the 2{yields}2-scattering amplitude in cos {theta}, {theta} being the scattering angle. Discussions on the possible ways of obtaining high-energy bounds analogous to the Froissart-Martin bound on the total cross section are also presented.

  10. Quantum theory of dissipation of a harmonic oscillator coupled to a nonequilibrium bath; Wigner-Weisskopf decay and physical spectra

    E-Print Network [OSTI]

    Jyotipratim Ray Chaudhuri; Bimalendu Deb; Gautam Gangopadhyay Deb Shankar Ray

    1999-02-15T23:59:59.000Z

    We extend the quantum theory of dissipation in the context of system-reservoir model, where the reservoir in question is kept in a nonequilibrium condition. Based on a systematic separation of time scales involved in the dynamics, appropriate generalizations of the fluctuation-dissipation and Einstein's relations have been pointed out. We show that the Wigner-Weisskopf decay of the system mode results in a rate constant which depending on the relaxation of nonequilibrium bath is dynamically modified. We also calculate the time-dependent spectra of a cavity mode with a suitable gain when the cavity is kept in contact with a nonequilibrium bath.

  11. Theoretical Chemistry Theory, Computation, and

    E-Print Network [OSTI]

    Gherman, Benjamin F.

    1 23 Theoretical Chemistry Accounts Theory, Computation, and Modeling ISSN 1432-881X Volume 128). In order to explore the origin of this preference, density functional theory (DFT) calculations have been-terminus of nascent eubacterial proteins during protein synthesis [1­4]. As PDF is essential for bacterial survival

  12. DFT Investigation of Osmium Terpyridinyl Complexes as Potential Optical Limiting Materials

    E-Print Network [OSTI]

    Alok, Shashwat

    2015-01-01T23:59:59.000Z

    The development of optical power limiting materials is important to protect individuals or materials from intense laser irradiation. The photophysical behavior of Os(II) polypyridinyl complexes having aromatic hydrocarbon terpyridyl ligands has received considerable attention as systems exhibiting intramolecular energy transfer to yield a long excited states lifetime. Here we present a focused discussion to illustrate the photophysical behavior of transition metal complexes with modified terpyridyl ligands, utilizing density functional theory. Our DFT studies of the excited state behavior of Os(II) complexes containing pyrene-vinylene derived terpyridine (pyr-v-tpy) ligands can be applied to the development of optical limiting materials controlling the laser power at longer wavelength range.

  13. Optimized multi-site local orbitals in the large-scale DFT program CONQUEST

    E-Print Network [OSTI]

    Nakata, Ayako; Miyazaki, Tsuyoshi

    2015-01-01T23:59:59.000Z

    We introduce numerical optimization of multi-site support functions in the linear-scaling DFT code CONQUEST. Multi-site support functions, which are linear combinations of pseudo-atomic orbitals on a target atom and those neighbours within a cutoff, have been recently proposed to reduce the number of support functions to the minimal basis while keeping the accuracy of a large basis [J. Chem. Theory Comput., 2014, 10, 4813]. The coefficients were determined by using the local filter diagonalization (LFD) method [Phys. Rev. B, 2009, 80, 205104]. We analyse the effect of numerical optimization of the coefficients produced by the LFD method. Tests on crystalline silicon, a benzene molecule and hydrated DNA systems show that the optimization improves the accuracy of the multi-site support functions with small cutoffs. It is also confirmed that the optimization guarantees the variational energy minimizations with multi-site support functions.

  14. First principles DFT investigation of yttrium-doped graphene: Electronic structure and hydrogen storage

    SciTech Connect (OSTI)

    Desnavi, Sameerah, E-mail: sameerah-desnavi@zhcet.ac.in [Department of Electronic Engineering, ZHCET, Aligarh Muslim University, Aligarh-202002 (India); Chakraborty, Brahmananda; Ramaniah, Lavanya M. [High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Mumbai-400085 (India)

    2014-04-24T23:59:59.000Z

    The electronic structure and hydrogen storage capability of Yttrium-doped grapheme has been theoretically investigated using first principles density functional theory (DFT). Yttrium atom prefers the hollow site of the hexagonal ring with a binding energy of 1.40 eV. Doping by Y makes the system metallic and magnetic with a magnetic moment of 2.11 ?{sub B}. Y decorated graphene can adsorb up to four hydrogen molecules with an average binding energy of 0.415 eV. All the hydrogen atoms are physisorbed with an average desorption temperature of 530.44 K. The Y atoms can be placed only in alternate hexagons, which imply a wt% of 6.17, close to the DoE criterion for hydrogen storage materials. Thus, this system is potential hydrogen storage medium with 100% recycling capability.

  15. New mechanism for nonlocality from string theory: UV-IR quantum entanglement and its imprints on the CMB

    SciTech Connect (OSTI)

    Minton, Gregory; Sahakian, Vatche [Harvey Mudd College, Physics Department, 241 Platt Boulevard, Claremont, California 91711 (United States)

    2008-01-15T23:59:59.000Z

    Puff field theories (PFT) arise as the decoupling limits of D3 branes in a Melvin universe and exhibit spatially nonlocal dynamics. Unlike other realizations of nonlocality in string theory, PFTs have full SO(3) rotational symmetry. In this work, we analyze the strongly coupled regime of a PFT through gravitational holography. We find a novel mechanism at the heart of the phenomenon of nonlocality: a quantum entanglement of UV and IR dynamics. In the holographic bulk, this translates to an apparent horizon splitting the space into two regions--with the UV completion of the PFT sitting at the horizon. We unravel this intricate UV-IR setting and devise a prescription for computing correlators that extends the original dictionary of holographic renormalization group. We then implement a cosmological scenario where PFT correlators set the initial conditions for primordial fluctuations. We compute the associated power spectrum of the cosmic microwave background and find that the scenario allows for a distinct stringy signature.

  16. Application of quantum theory of electrons to the mechanical and thermal properties of metals 

    E-Print Network [OSTI]

    Peng, Hwan-Wu

    The first successful application of quantum mechanics to the problem of metallic cohesion was made by Wigner and Seitz (1938) They appoximated sodium metal by a number of isolated spheres of equal atomic volume and integrated, ...

  17. Unitarity bounds and RG flows in time dependent quantum field theory

    E-Print Network [OSTI]

    Xi Dong; Bart Horn; Eva Silverstein; Gonzalo Torroba

    2012-03-08T23:59:59.000Z

    We generalize unitarity bounds on operator dimensions in conformal field theory to field theories with spacetime dependent couplings. Below the energy scale of spacetime variation of the couplings, their evolution can strongly affect the physics, effectively shifting the infrared operator scaling and unitarity bounds determined from correlation functions in the theory. We analyze this explicitly for large-$N$ double-trace flows, and connect these to UV complete field theories. One motivating class of examples comes from our previous work on FRW holography, where this effect explains the range of flavors allowed in the dual, time dependent, field theory.

  18. Unitarity Bounds and RG Flows in Time Dependent Quantum Field Theory

    SciTech Connect (OSTI)

    Dong, Xi; Horn, Bart; Silverstein, Eva; Torroba, Gonzalo; /Stanford U., ITP /Stanford U., Phys. Dept. /SLAC

    2012-04-05T23:59:59.000Z

    We generalize unitarity bounds on operator dimensions in conformal field theory to field theories with spacetime dependent couplings. Below the energy scale of spacetime variation of the couplings, their evolution can strongly affect the physics, effectively shifting the infrared operator scaling and unitarity bounds determined from correlation functions in the theory. We analyze this explicitly for large-N double-trace flows, and connect these to UV complete field theories. One motivating class of examples comes from our previous work on FRW holography, where this effect explains the range of flavors allowed in the dual, time dependent, field theory.

  19. A note on ${\\cal N}\\ge 6$ Superconformal Quantum Field Theories in three dimensions

    E-Print Network [OSTI]

    Denis Bashkirov

    2011-08-20T23:59:59.000Z

    Based on the structure of the three-dimensional superconformal algebra we show that every irreducible ${\\mathcal N}=6$ three-dimensional superconformal theory containes exactly one conserved U(1)-symmetry current in the stress tensor supermultiplet and that superconformal symmetry of every ${\\mathcal N}=7$ superconformal theory is in fact enhanced to ${\\mathcal N}=8$. Moreover, an irreducible ${\\cal N}=8$ superconformal theory does not have any global symmetries. The first observation explains why all known examples of ${\\mathcal N}=6$ superconformal theories have a global abelian symmetry.

  20. Comparison between Gaussian-type orbitals and plane wave ab initio density functional theory modeling of layer silicates: Talc [Mg{sub 3}Si{sub 4}O{sub 10}(OH){sub 2}] as model system

    SciTech Connect (OSTI)

    Ulian, Gianfranco; Valdrè, Giovanni, E-mail: giovanni.valdre@unibo.it [Dipartimento di Scienze Biologiche e Geologico-Ambientali, Centro di Ricerca Interdisciplinare di Biomineralogia, Cristallografia e Biomateriali, Università di Bologna “Alma Mater Studiorum” Piazza di Porta San Donato 1, 40126 Bologna (Italy)] [Dipartimento di Scienze Biologiche e Geologico-Ambientali, Centro di Ricerca Interdisciplinare di Biomineralogia, Cristallografia e Biomateriali, Università di Bologna “Alma Mater Studiorum” Piazza di Porta San Donato 1, 40126 Bologna (Italy); Tosoni, Sergio [Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain)] [Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain)

    2013-11-28T23:59:59.000Z

    The quantum chemical characterization of solid state systems is conducted with many different approaches, among which the adoption of periodic boundary conditions to deal with three-dimensional infinite condensed systems. This method, coupled to the Density Functional Theory (DFT), has been proved successful in simulating a huge variety of solids. Only in relatively recent years this ab initio quantum-mechanic approach has been used for the investigation of layer silicate structures and minerals. In the present work, a systematic comparison of different DFT functionals (GGA-PBEsol and hybrid B3LYP) and basis sets (plane waves and all-electron Gaussian-type orbitals) on the geometry, energy, and phonon properties of a model layer silicate, talc [Mg{sub 3}Si{sub 4}O{sub 10}(OH){sub 2}], is presented. Long range dispersion is taken into account by DFT+D method. Results are in agreement with experimental data reported in literature, with minimal deviation given by the GTO/B3LYP-D* method regarding both axial lattice parameters and interaction energy and by PW/PBE-D for the unit-cell volume and angular values. All the considered methods adequately describe the experimental talc infrared spectrum.

  1. Nonequilibrium fluctuations in quantum heat engines: Theory, example, and possible solid state experiments

    E-Print Network [OSTI]

    Michele Campisi; Jukka Pekola; Rosario Fazio

    2014-12-02T23:59:59.000Z

    We study the stochastic energetic exchanges in quantum heat engines. Due to microreversibility, these obey a fluctuation relation, called the heat engine fluctuation relation, which implies the Carnot bound: no machine can have an efficiency larger than Carnot's efficiency. The stochastic thermodynamics of a quantum heat engine (including the joint statistics of heat and work and the statistics of efficiency) is illustrated by means of an optimal two-qubit heat engine, where each qubit is coupled to a thermal bath and a two-qubit gate determines energy exchanges between the two qubits. We discuss possible solid state implementations with Cooper pair boxes and flux qubits, quantum gate operations, and fast calorimetric on-chip measurements of single stochastic events.

  2. The spacetime of double field theory: Review, remarks, and outlook

    E-Print Network [OSTI]

    Hohm, Olaf

    We review double field theory (DFT) with emphasis on the doubled spacetime and its generalized coordinate transformations, which unify diffeomorphisms and b-field gauge transformations. We illustrate how the composition ...

  3. Quantum Control: Approach based on Scattering Theory for Non-commutative Markov

    E-Print Network [OSTI]

    Gohm, Rolf

    this fits in with the modern view point that control is essentially interconnection of systems. See the book Introduction Modern control theory has frequently used concepts and results from abstract mathematics. The aim of control theory [Ki,Za], i.e. the descrip- tion of the system by an internal state space with in- put

  4. The Classical and Quantum Theory of Relativistic p-Branes without Constraints

    E-Print Network [OSTI]

    Matej Pavsic

    1995-01-26T23:59:59.000Z

    It is shown that a relativistic (i.e. a Poincar{\\' e} invariant) theory of extended objects (called p-branes) is not necessarily invariant under reparametrizations of corresponding $p$-dimensional worldsheets (including worldlines for $p = 0$). Consequnetly, no constraints among the dynamical variables are necessary and quantization is straightforward. Additional degrees of freedom so obtained are given a physical interpretation as being related to membrane's elastic deformations ("wiggleness"). In particular, such a more general, unconstrained theory implies as solutions also those p-brane states that are solutions of the conventional theory of the Dirac-Nambu-Goto type.

  5. Elementary particle theory

    SciTech Connect (OSTI)

    Marciano, W.J.

    1984-12-01T23:59:59.000Z

    The present state of the art in elementary particle theory is reviewed. Topics include quantum electrodynamics, weak interactions, electroweak unification, quantum chromodynamics, and grand unified theories. 113 references. (WHK)

  6. Quantum robots and quantum computers

    SciTech Connect (OSTI)

    Benioff, P.

    1998-07-01T23:59:59.000Z

    Validation of a presumably universal theory, such as quantum mechanics, requires a quantum mechanical description of systems that carry out theoretical calculations and systems that carry out experiments. The description of quantum computers is under active development. No description of systems to carry out experiments has been given. A small step in this direction is taken here by giving a description of quantum robots as mobile systems with on board quantum computers that interact with different environments. Some properties of these systems are discussed. A specific model based on the literature descriptions of quantum Turing machines is presented.

  7. Quantum correlations; quantum probability approach

    E-Print Network [OSTI]

    W. A. Majewski

    2015-05-21T23:59:59.000Z

    This survey gives a comprehensive account of quantum correlations understood as a phenomenon stemming from the rules of quantization. Centered on quantum probability it describes the physical concepts related to correlations (both classical and quantum), mathematical structures, and their consequences. These include the canonical form of classical correlation functionals, general definitions of separable (entangled) states, definition and analysis of quantumness of correlations, description of entanglement of formation, and PPT states. This work is intended both for physicists interested not only in collection of results but also in the mathematical methods justifying them, and mathematicians looking for an application of quantum probability to concrete new problems of quantum theory.

  8. A neutron diffraction study from 6 to 293 K and a macroscopic-scale quantum theory of the hydrogen bonded dimers in the crystal of benzoic acid

    E-Print Network [OSTI]

    -state-NMR and quasi-elastic neutron scattering are consistent with wave-like, rather than particle-like protons. We is essentially the case for solid-state NMR or quasi-elastic neutron scattering (QENS);6,15 (iii) theoreticalA neutron diffraction study from 6 to 293 K and a macroscopic-scale quantum theory of the hydrogen

  9. Monotonically convergent optimal control theory of quantum systems under a nonlinear interaction with the control field

    E-Print Network [OSTI]

    M. Lapert; R. Tehini; G. Turinici; D. Sugny

    2009-05-29T23:59:59.000Z

    We consider the optimal control of quantum systems interacting non-linearly with an electromagnetic field. We propose new monotonically convergent algorithms to solve the optimal equations. The monotonic behavior of the algorithm is ensured by a non-standard choice of the cost which is not quadratic in the field. These algorithms can be constructed for pure and mixed-state quantum systems. The efficiency of the method is shown numerically on molecular orientation with a non-linearity of order 3 in the field. Discretizing the amplitude and the phase of the Fourier transform of the optimal field, we show that the optimal solution can be well-approximated by pulses that could be implemented experimentally.

  10. Empirical Distributions of DFT-Domain Speech Coefficients Based on Estimated Speech Variances

    E-Print Network [OSTI]

    obtained from a short-time discrete Fourier transform (DFT) in the context of speech enhancement frameworks. The distribution of clean speech spectral coefficients is of great importance for speech enhancement algorithmsEmpirical Distributions of DFT-Domain Speech Coefficients Based on Estimated Speech Variances Timo

  11. Using the DFT For Data Analysis MATH 418, PDE LAB Spring 2013

    E-Print Network [OSTI]

    Bardsley, John

    use of the discrete Fourier transform (DFT), a way of numerically computing the Fourier transform 1: In the m-file DataAnal.m on the website, the DFT is used to find the frequency components compute the power spectrum, which is defined by P(y) = |fft(y)|2 /N, where N is the number of elements

  12. Fast and accurate direct MDCT to DFT conversion with arbitrary window functions

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1 Fast and accurate direct MDCT to DFT conversion with arbitrary window functions Shuhua Zhang* and Laurent Girin Abstract--In this paper, we propose a method for direct con- version of MDCT coefficients of the MDCT-to- DFT conversion matrices into a Toeplitz part plus a Hankel part. The latter is split

  13. Weakly relativistic quantum kinetic theory for electrostatic wave modes in magnetized plasmas

    SciTech Connect (OSTI)

    Hussain, Azhar [Department of Physics, GC University Lahore, 54000 Lahore (Pakistan)] [Department of Physics, GC University Lahore, 54000 Lahore (Pakistan); Stefan, Martin; Brodin, Gert [Department of Physics, Umeå University, SE-901 87 Umeå (Sweden)] [Department of Physics, Umeå University, SE-901 87 Umeå (Sweden)

    2014-03-15T23:59:59.000Z

    We have derived the electrostatic dispersion relation in a magnetized plasma using a recently developed quantum kinetic model based on the Dirac equation. The model contains weakly relativistic spin effects such as Thomas precession, the polarization currents associated with the spin and the spin-orbit coupling. It turns out that for strictly electrostatic perturbations the non-relativistic spin effects vanish, and the modification of the classical dispersion relation is solely associated with the relativistic terms. Several new wave modes appear due the electron spin effects, and an example for astrophysical plasmas are given.

  14. Testing Many-Worlds Quantum Theory By Measuring Pattern Convergence Rates

    E-Print Network [OSTI]

    Frank J. Tipler

    2008-09-25T23:59:59.000Z

    The Born Interpretation of the wave function gives only the relative frequencies as the number of observations approaches infinity. Using the Many-Worlds Interpretation of quantum mechanics, specifically the fact that there must exist other versions of ourselves in the multiverse, I show that the observed frequencies should approach the Born frequencies as 1/N, where N is the number of observations. In the body of the paper I state this convergence rate precisely as AN EASILY TESTABLE FORMULA. We can therefore test the central claim of the MWI by measuring the convergence rate to the final Born frequency. Conversely, the MWI allows us to calculate this convergence rate.

  15. Theory of Linear Optical Absorption in Diamond Shaped Graphene Quantum Dots

    E-Print Network [OSTI]

    Basak, Tista; Shukla, Alok

    2015-01-01T23:59:59.000Z

    In this paper, optical and electronic properties of diamond shaped graphene quantum dots (DQDs) have been studied by employing large-scale electron-correlated calculations. The computations have been performed using the $\\pi$-electron Pariser-Parr-Pople model Hamiltonian, which incorporates long-range Coulomb interactions. The influence of electron-correlation effects on the ground and excited states has been included by means of the configuration-interaction approach, used at various levels. Our calculations have revealed that the absorption spectra are red-shifted with the increasing sizes of quantum dots. It has been observed that the first peak of the linear optical absorption, which represents the optical gap, is not the most intense peak. This result is in excellent agreement with the experimental data, but in stark contrast to the predictions of the tight-binding model, according to which the first peak is the most intense peak, pointing to the importance of electron-correlation effects. Furthermore, a...

  16. Collective multipole expansions and the perturbation theory in the quantum three-body problem

    E-Print Network [OSTI]

    A. V. Meremianin

    2008-03-10T23:59:59.000Z

    The perturbation theory with respect to the potential energy of three particles is considered. The first-order correction to the continuum wave function of three free particles is derived. It is shown that the use of the collective multipole expansion of the free three-body Green function over the set of Wigner $D$-functions can reduce the dimensionality of perturbative matrix elements from twelve to six. The explicit expressions for the coefficients of the collective multipole expansion of the free Green function are derived. It is found that the $S$-wave multipole coefficient depends only upon three variables instead of six as higher multipoles do. The possible applications of the developed theory to the three-body molecular break-up processes are discussed.

  17. Theory of substrate, Zeeman, and electron-phonon interaction effects on the quantum capacitance in graphene

    SciTech Connect (OSTI)

    Tahir, M. [PSE Division, KAUST, Thuwal 23955-6900 (Saudi Arabia); Department of Physics, University of Sargodha, Sargodha 40100 (Pakistan); Sabeeh, K. [Department of Physics, Quaid-i-Azam University, Islamabad 45320 (Pakistan); Shaukat, A. [Department of Physics, University of Sargodha, Sargodha 40100 (Pakistan); Schwingenschlögl, U., E-mail: Udo.Schwingenschlogl@kaust.edu.sa [PSE Division, KAUST, Thuwal 23955-6900 (Saudi Arabia)

    2013-12-14T23:59:59.000Z

    Since the discovery of graphene, a lot of interest has been attracted by the zeroth Landau level, which has no analog in the conventional two dimensional electron gas. Recently, lifting of the spin and valley degeneracies has been confirmed experimentally by capacitance measurements, while in transport experiments, this is difficult due to the scattering in the device. In this context, we model interaction effects on the quantum capacitance of graphene in the presence of a perpendicular magnetic field, finding good agreement with experiments. We demonstrate that the valley degeneracy is lifted by the substrate and by Kekule distortion, whereas the spin degeneracy is lifted by Zeeman interaction. The two cases can be distinguished by capacitance measurements.

  18. Statistical mechanics of Coulomb gases as quantum theory on Riemann surfaces

    SciTech Connect (OSTI)

    Gulden, T.; Janas, M.; Koroteev, P.; Kamenev, A., E-mail: kamenev@physics.umn.edu [University of Minnesota, Department of Physics (United States)

    2013-09-15T23:59:59.000Z

    Statistical mechanics of a 1D multivalent Coulomb gas can be mapped onto non-Hermitian quantum mechanics. We use this example to develop the instanton calculus on Riemann surfaces. Borrowing from the formalism developed in the context of the Seiberg-Witten duality, we treat momentum and coordinate as complex variables. Constant-energy manifolds are given by Riemann surfaces of genus g {>=} 1. The actions along principal cycles on these surfaces obey the ordinary differential equation in the moduli space of the Riemann surface known as the Picard-Fuchs equation. We derive and solve the Picard-Fuchs equations for Coulomb gases of various charge content. Analysis of monodromies of these solutions around their singular points yields semiclassical spectra as well as instanton effects such as the Bloch bandwidth. Both are shown to be in perfect agreement with numerical simulations.

  19. Neutrinos Meet Supersymmetry: Quantum Aspects of of Neutrinophysics in Supersymmetric Theories

    E-Print Network [OSTI]

    Hollik, Wolfgang Gregor

    2015-01-01T23:59:59.000Z

    We address the influence of quantum corrections to neutrino masses and mixings and discuss the possibilities to completely generate the flavor mixing irrespective of any tree-level flavor model. Furthermore, we describe a new class of vacua with a new minimum appearing in the standard Higgs direction. The results hint towards a charge and color breaking global minimum and therefore extend existing bounds at tree-level. Finally, we combine the discussion of vacuum stability in the MSSM with the right-handed neutrino extension. The supersymmetric version of the seesaw mechanism rescues the potential and also does not induce further instabilities neither at the SUSY scale nor at the scale of heavy neutrinos, as long as both scales are well separated. Moreover, we resolve a degeneracy in name space.

  20. Integrating Experiment and Theory in Electrochemical Surface Science: Studies on the Molecular Adsorption on Noble-Metal Electrode Surfaces by Density Functional Theory, Electron Spectroscopy, and Electrochemistry

    E-Print Network [OSTI]

    Javier, Alnald Caintic

    2013-08-05T23:59:59.000Z

    Computational techniques based on density functional theory (DFT) and experimental methods based on electrochemistry (EC), electrochemical scanning tunneling microscopy (EC-STM), and high-resolution electron energy loss spectroscopy (HREELS) were...

  1. Quantum Hydrodynamics

    E-Print Network [OSTI]

    Khan, Shabbir A

    2013-01-01T23:59:59.000Z

    Quantum plasma physics is a rapidly evolving research field with a very inter-disciplinary scope of potential applications, ranging from nano-scale science in condensed matter to the vast scales of astrophysical objects. The theoretical description of quantum plasmas relies on various approaches, microscopic or macroscopic, some of which have obvious relation to classical plasma models. The appropriate model should, in principle, incorporate the quantum mechanical effects such as diffraction, spin statistics and correlations, operative on the relevant scales. However, first-principle approaches such as quantum Monte Carlo and density functional theory or quantum-statistical methods such as quantum kinetic theory or non-equilibrium Green's functions require substantial theoretical and computational efforts. Therefore, for selected problems, alternative simpler methods have been put forward. In particular, the collective behavior of many-body systems is usually described within a self-consistent scheme of parti...

  2. Edge effects in graphene nanostructures: II. Semiclassical theory of spectral fluctuations and quantum transport

    E-Print Network [OSTI]

    J. Wurm; K. Richter; I. Adagideli

    2011-11-14T23:59:59.000Z

    We investigate the effect of different edge types on the statistical properties of both the energy spectrum of closed graphene billiards and the conductance of open graphene cavities in the semiclassical limit. To this end, we use the semiclassical Green's function for ballistic graphene flakes that we have derived in Reference 1. First we study the spectral two point correlation function, or more precisely its Fourier transform the spectral form factor, starting from the graphene version of Gutzwiller's trace formula for the oscillating part of the density of states. We calculate the two leading order contributions to the spectral form factor, paying particular attention to the influence of the edge characteristics of the system. Then we consider transport properties of open graphene cavities. We derive generic analytical expressions for the classical conductance, the weak localization correction, the size of the universal conductance fluctuations and the shot noise power of a ballistic graphene cavity. Again we focus on the effects of the edge structure. For both, the conductance and the spectral form factor, we find that edge induced pseudospin interference affects the results significantly. In particular intervalley coupling mediated through scattering from armchair edges is the key mechanism that governs the coherent quantum interference effects in ballistic graphene cavities.

  3. Quantum theory of collective strong coupling of molecular vibrations with a microcavity mode

    E-Print Network [OSTI]

    Javier del Pino; Johannes Feist; Francisco J. Garcia-Vidal

    2015-02-27T23:59:59.000Z

    We develop a quantum mechanical formalism to treat the strong coupling between an electromagnetic mode and a vibrational excitation of an ensemble of organic molecules. By employing a Bloch-Redfield-Wangsness approach, we show that the influence of dephasing-type interactions, i.e., elastic collisions with a background bath of phonons, critically depends on the nature of the bath modes. In particular, for long-range phonons corresponding to a common bath, the dynamics of the "bright state" (the collective superposition of molecular vibrations coupling to the cavity mode) is effectively decoupled from other system eigenstates. For the case of independent baths (or short-range phonons), incoherent energy transfer occurs between the bright state and the uncoupled dark states. However, these processes are suppressed when the Rabi splitting is larger than the frequency range of the bath modes, as achieved in a recent experiment [Shalabney et al., Nat. Commun. 6, 5981 (2015)]. In both cases, the dynamics can thus be described through a single collective oscillator coupled to a photonic mode, making this system an ideal candidate to explore cavity optomechanics at room temperature.

  4. Faddeev-Popov-ghost propagators for Yang-Mills theories and perturbative quantum gravity in the covariant gauge in de Sitter spacetime

    SciTech Connect (OSTI)

    Faizal, Mir; Higuchi, Atsushi [Department of Mathematics, University of York, Heslington, York YO10 5DD (United Kingdom)

    2008-09-15T23:59:59.000Z

    The propagators of the Faddeev-Popov (FP) ghosts for Yang-Mills theories and perturbative quantum gravity in the covariant gauge are infrared (IR) divergent in de Sitter spacetime. We point out, however, that the modes responsible for these divergences will not contribute to loop diagrams in computations of time-ordered products in either Yang-Mills theories or perturbative quantum gravity. Therefore, we propose that the IR-divergent FP-ghost propagator should be regularized by a small mass term that is sent to zero in the end of any perturbative calculations. This proposal is equivalent to using the effective FP-ghost propagators, which we present in an explicit form, obtained by removing the modes responsible for the IR divergences. We also make some comments on the corresponding propagators in anti-de Sitter spacetime.

  5. High energy cosmic rays experiments inspired by noncommutative quantum field theory

    E-Print Network [OSTI]

    Josip Trampetic

    2012-10-19T23:59:59.000Z

    Phenomenological analysis of the covariant theta-exact noncommutative (NC) gauge field theory (GFT), inspired by high energy cosmic rays experiments, is performed in the framework of the inelastic neutrino-nucleon scatterings, plasmon and $Z$-boson decays into neutrino pair, the Big Bang Nucleosynthesis (BBN) and the Reheating Phase After Inflation (RPAI), respectively. Next we have have found neutrino two-point function and shows a closed form decoupling of the hard ultraviolet (UV) divergent term from softened ultraviolet/infrared (UV/IR) mixing term and from the finite terms as well. For a certain choice of the noncommutative parameter theta which preserves unitarity, problematic UV divergent and UV/IR mixing terms vanish. Non-perturbative modifications of the neutrino dispersion relations are assymptotically independent of the scale of noncommutativity in both the low and high energy limits and may allow superluminal propagation.

  6. Noncommutative geometry in quantum field theory and the cosmogenic neutrino physics at the extreme energies

    E-Print Network [OSTI]

    Josip Trampetic

    2013-02-04T23:59:59.000Z

    Analysis of the covariant theta-exact noncommutative (NC) gauge field theory (GFT), inspired by high energy cosmic rays experiments, is performed in the framework of the inelastic neutrino-nucleon scatterings. Next we have have found neutrino two-point function and shows a closed form decoupled from the hard ultraviolet (UV) divergent term, from softened ultraviolet/infrared (UV/IR) mixing term, and from the finite terms as well. For a certain choice of the noncommutative parameter theta which preserves unitarity, problematic UV divergent and UV/IR mixing terms vanish. Non-perturbative modifications of the neutrino dispersion relations are assymptotically independent of the scale of noncommutativity in both, the low and high energy limits and may allow superluminal propagation.

  7. Nonlinear theory of ionic sound waves in a hot quantum-degenerate electron-positron-ion plasma

    SciTech Connect (OSTI)

    Dubinov, A. E., E-mail: dubinov-ae@yandex.ru; Sazonkin, M. A., E-mail: figma@mail.r [Sarov State Physicotechnical Institute (Russian Federation)

    2010-11-15T23:59:59.000Z

    A collisionless nonmagnetized e-p-i plasma consisting of quantum-degenerate gases of ions, electrons, and positrons at nonzero temperatures is considered. The dispersion equation for isothermal ionic sound waves is derived and analyzed, and an exact expression is obtained for the linear velocity of ionic sound. Analysis of the dispersion equation has made it possible to determine the ranges of parameters in which nonlinear solutions in the form of solitons should be sought. A nonlinear theory of isothermal ionic sound waves is developed and used for obtaining and analyzing the exact solution to the system of initial equations. Analysis has been carried out by the method of the Bernoulli pseudopotential. The ranges of phase velocities of periodic ionic sound waves and soliton velocities are determined. It is shown that in the plasma under investigation, these ranges do not overlap and that the soliton velocity cannot be lower than the linear velocity of ionic sound. The profiles of physical quantities in a periodic wave and in a soliton are constructed, as well as the dependences of the velocity of sound and the critical velocity on the ionic concentration in the plasma. It is shown that these velocities increase with the ion concentration.

  8. Methanol Synthesis from CO2 Hydrogenation over a Pd4/In2O3 Model Catalyst: A Combined DFT and Kinetic Study

    SciTech Connect (OSTI)

    Ye, Jingyun; Liu, Changjun; Mei, Donghai; Ge, Qingfeng

    2014-08-01T23:59:59.000Z

    Methanol synthesis from CO2 hydrogenation on Pd4/In2O3 has been investigated using density functional theory (DFT) and microkinetic modeling. In this study, three possible routes in the reaction network of CO2 + H2 ? CH3OH + H2O have been examined. Our DFT results show that the HCOO route competes with the RWGS route whereas a high activation barrier kinetically blocks the HCOOH route. DFT results also suggest that H2COO* + H* ? H2CO* +OH* and cis-COOH* + H* ?CO* + H2O* are the rate limiting steps in the HCOO route and the RWGS route, respectively. Microkinetic modeling results demonstrate that the HCOO route is the dominant reaction route for methanol synthesis from CO2 hydrogenation. We found that the activation of H adatom on the small Pd cluster and the presence of H2O on the In2O3 substrate play important roles in promoting the methanol synthesis. The hydroxyl adsorbed at the interface of Pd4/In2O3 induces the transformation of the supported Pd4 cluster from a butterfly structure into a tetrahedron structure. This important structure change not only indicates the dynamical nature of the supported nanoparticle catalyst structure during the reaction but also shifts the final hydrogenation step from H2COH to CH3O.

  9. Screening for high-performance piezoelectrics using high-throughput density functional theory

    E-Print Network [OSTI]

    Armiento, Rickard R.

    We present a large-scale density functional theory (DFT) investigation of the ABO3 chemical space in the perovskite crystal structure, with the aim of identifying those that are relevant for forming piezoelectric materials. ...

  10. Quantum dynamics with fermion coupled coherent states: Theory and application to electron dynamics in laser fields

    SciTech Connect (OSTI)

    Kirrander, Adam [Laboratoire Aime Cotton du CNRS, Universite de Paris-Sud, Batiment 505, F-91405 Orsay (France); Shalashilin, Dmitrii V. [School of Chemistry, University of Leeds, Leeds LS2 9JT (United Kingdom)

    2011-09-15T23:59:59.000Z

    We present an alternate version of the coupled-coherent-state method, specifically adapted for solving the time-dependent Schroedinger equation for multielectron dynamics in atoms and molecules. This theory takes explicit account of the exchange symmetry of fermion particles, and it uses fermion molecular dynamics to propagate trajectories. As a demonstration, calculations in the He atom are performed using the full Hamiltonian and accurate experimental parameters. Single- and double-ionization yields by 160-fs and 780-nm laser pulses are calculated as a function of field intensity in the range 10{sup 14}-10{sup 16} W/cm{sup 2}, and good agreement with experiments by Walker et al. is obtained. Since this method is trajectory based, mechanistic analysis of the dynamics is straightforward. We also calculate semiclassical momentum distributions for double ionization following 25-fs and 795-nm pulses at 1.5x10{sup 15} W/cm{sup 2}, in order to compare them with the detailed experiments by Rudenko et al. For this more challenging task, full convergence is not achieved. However, major effects such as the fingerlike structures in the momentum distribution are reproduced.

  11. A DFT + U study of cerium solubility in LaZrO. | EMSL

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    solution exhibits a reduced charge state. Citation: Wang XJ, HY Xiao, X Zu, and WJ Weber.2012."A DFT + U study of cerium solubility in La?Zr?O?."Journal of Nuclear Materials...

  12. Materials Theory, Modeling and Simulation | ORNL

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials Characterization Materials Theory and Simulation Quantum Monte Carlo Density Functional Theory Monte Carlo Ab Initio Molecular Dynamics Chemical and Materials Theory...

  13. Quantum state discrimination with bosonic channels and Gaussian states

    E-Print Network [OSTI]

    Tan, Si Hui, Ph. D. Massachusetts Institute of Technology

    2010-01-01T23:59:59.000Z

    Discriminating between quantum states is an indispensable part of quantum information theory. This thesis investigates state discrimination of continuous quantum variables, focusing on bosonic communication channels and ...

  14. Mexican contributions to Noncommutative Theories

    SciTech Connect (OSTI)

    Vergara, J. David [Instituto de Ciencias Nucleares, UNAM, A. Postal 70-543, Mexico, D.F. Mexico (Mexico); Garcia-Compean, H. [Centro de Investigacion y de Estudios Avanzados del IPN, Unidad Monterrey, Cerro de las Mitras 2565, Col. Obispado, Monterrey N.L. 64060 (Mexico); Departamento de Fisica, Centro de Investigacion y de Estudios Avanzados del IPN, Apdo. Postal 14-740, Mexico D.F. 07000 (Mexico)

    2006-09-25T23:59:59.000Z

    In this paper we summarize the Mexican contributions to the subject of Noncommutative theories. These contributions span several areas: Quantum Groups, Noncommutative Field Theories, Hopf algebra of renormalization, Deformation Quantization, Noncommutative Gravity, and Noncommutative Quantum Mechanics.

  15. Singlet-Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory

    SciTech Connect (OSTI)

    Ess, Daniel H.; Johnson, E R; Hu, Xiangqian; Yang, W T

    2011-01-01T23:59:59.000Z

    Open-shell singlet diradicals are difficult to model accurately within conventional Kohn?Sham (KS) density-functional theory (DFT). These methods are hampered by spin contamination because the KS determinant wave function is neither a pure spin state nor an eigenfunction of the S2 operator. Here we present a theoretical foray for using single-reference closed-shell ground states to describe diradicals by fractional-spin DFT (FS-DFT). This approach allows direct, self-consistent calculation of electronic properties using the electron density corresponding to the proper spin eigenfunction. The resulting FS-DFT approach is benchmarked against diradical singlet?triplet gaps for atoms and small molecules. We have also applied FS-DFT to the singlet?triplet gaps of hydrocarbon polyacenes.

  16. Field Theory and Standard Model

    E-Print Network [OSTI]

    W. Buchmüller; C. Lüdeling

    2006-09-18T23:59:59.000Z

    This is a short introduction to the Standard Model and the underlying concepts of quantum field theory.

  17. Quantum backgrounds and QFT

    E-Print Network [OSTI]

    Jae-Suk Park; John Terilla; Thomas Tradler

    2009-09-21T23:59:59.000Z

    We introduce the concept of a quantum background and a functor QFT. In the case that the QFT moduli space is smooth formal, we construct a flat quantum superconnection on a bundle over QFT which defines algebraic structures relevant to correlation functions in quantum field theory. We go further and identify chain level generalizations of correlation functions which should be present in all quantum field theories.

  18. Optimal Transportation Theory with Repulsive Costs

    E-Print Network [OSTI]

    Simone Di Marino; Augusto Gerolin; Luca Nenna

    2015-06-15T23:59:59.000Z

    This paper intents to present the state of art and recent developments of the optimal transportation theory with many marginals for a class of repulsive cost functions. We introduce some aspects of the Density Functional Theory (DFT) from a mathematical point of view, and revisit the theory of optimal transport from its perspective. Moreover, in the last three sections, we describe some recent and new theoretical and numerical results obtained for the Coulomb cost, the repulsive harmonic cost and the determinant cost.

  19. Quantum Error Correction for Quantum Memories

    E-Print Network [OSTI]

    Barbara M. Terhal

    2015-01-20T23:59:59.000Z

    Active quantum error correction using qubit stabilizer codes has emerged as a promising, but experimentally challenging, engineering program for building a universal quantum computer. In this review we consider the formalism of qubit stabilizer and subsystem stabilizer codes and their possible use in protecting quantum information in a quantum memory. We review the theory of fault-tolerance and quantum error-correction, discuss examples of various codes and code constructions, the general quantum error correction conditions, the noise threshold, the special role played by Clifford gates and the route towards fault-tolerant universal quantum computation. The second part of the review is focused on providing an overview of quantum error correction using two-dimensional (topological) codes, in particular the surface code architecture. We discuss the complexity of decoding and the notion of passive or self-correcting quantum memories. The review does not focus on a particular technology but discusses topics that will be relevant for various quantum technologies.

  20. Global solutions of restricted open-shell Hartree-Fock theory from semidefinite programming with applications to strongly correlated quantum systems

    SciTech Connect (OSTI)

    Veeraraghavan, Srikant; Mazziotti, David A., E-mail: damazz@uchicago.edu [Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States)

    2014-03-28T23:59:59.000Z

    We present a density matrix approach for computing global solutions of restricted open-shell Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems. While wave function approaches to Hartree-Fock theory yield an upper bound to the Hartree-Fock energy, we derive a semidefinite relaxation of Hartree-Fock theory that yields a rigorous lower bound on the Hartree-Fock energy. We also develop an upper-bound algorithm in which Hartree-Fock theory is cast as a SDP with a nonconvex constraint on the rank of the matrix variable. Equality of the upper- and lower-bound energies guarantees that the computed solution is the globally optimal solution of Hartree-Fock theory. The work extends a previously presented method for closed-shell systems [S. Veeraraghavan and D. A. Mazziotti, Phys. Rev. A 89, 010502–R (2014)]. For strongly correlated systems the SDP approach provides an alternative to the locally optimized Hartree-Fock energies and densities with a certificate of global optimality. Applications are made to the potential energy curves of C{sub 2}, CN, Cr {sub 2}, and NO {sub 2}.

  1. Structural, optoelectronic, infrared and Raman spectra of orthorhombic SrSnO{sub 3} from DFT calculations

    SciTech Connect (OSTI)

    Moreira, E. [Departamento de Fisica Teorica e Experimental, Universidade Federal do Rio Grande do Norte, 59072-970 Natal-RN (Brazil); Henriques, J.M. [Centro de Educacao e Saude, Universidade Federal de Campina Grande, Campus Cuite, 58175-000 Cuite-PB (Brazil); Azevedo, D.L. [Departamento de Fisica, Universidade Federal do Maranhao, Centro de Ciencias Exatas e Tecnologia, 65085-580 Sao Luis-MA (Brazil); Departamento de Fisica Teorica e Experimental, Universidade Federal do Rio Grande do Norte, 59072-970 Natal-RN (Brazil); Caetano, E.W.S., E-mail: ewcaetano@gmail.co [Instituto Federal de Educacao, Ciencia e Tecnologia do Ceara, Av. 13 de Maio, 2081, Benfica, 60040-531 Fortaleza-CE (Brazil); Freire, V.N. [Departamento de Fisica, Universidade Federal do Ceara, Centro de Ciencias, Caixa Postal 6030, Campus do Pici, 60455-760 Fortaleza-CE (Brazil); Albuquerque, E.L. [Departamento de Biofisica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970 Natal-RN (Brazil)

    2011-04-15T23:59:59.000Z

    Orthorhombic SrSnO{sub 3} was investigated using density functional theory (DFT) considering both the local density and generalized gradient approximations, LDA and GGA, respectively. The electronic band structure, density of states, complex dielectric function, optical absorption, and the infrared and Raman spectra were computed. Calculated lattice parameters are close to the experimental measurements, and an indirect band gap E(S{yields}{Gamma})=1.97eV (2.27 eV) was obtained within the GGA (LDA) level of calculation. Effective masses for holes and electrons were estimated, being very anisotropic in comparison with similar results for orthorhombic CaSnO{sub 3}. The complex dielectric function and the optical absorption of SrSnO{sub 3} were shown to be sensitive to the plane of polarization of the incident light. The infrared spectrum between 100 and 600 cm{sup -1} was obtained, with its main peaks being assigned, and a nice agreement between experimental and theoretical peaks of the Raman spectrum of orthorhombic SrSnO{sub 3} was achieved. -- Graphical abstract: Orthorhombic SrSnO{sub 3}: a view of the unit cell (left) and plots showing the calculated and experimental Raman spectra (right). Display Omitted Research highlights: {yields} We have performed DFT calculations on orthorhombic SrSnO{sub 3} crystals, obtaining their structural, electronical and optical properties. {yields} An indirect band gap was obtained, and anisotropic effective masses were found for both electrons and holes. {yields} The complex dielectric function and the optical absorption of SrSnO{sub 3} were shown to be very sensitive to the plane of polarization of the incident light. {yields} The infrared spectrum between 100 and 600 cm{sup -1} was obtained, with its main peaks being assigned, and a nice agreement between experimental and theoretical peaks of the Raman spectrum was achieved.

  2. Functionalized Graphene Nanoroads for Quantum Well Device. |...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Nanoroads for Quantum Well Device. Functionalized Graphene Nanoroads for Quantum Well Device. Abstract: Using density functional theory, a series of calculations of structural and...

  3. On the Quantum Aspects of Geophysics

    E-Print Network [OSTI]

    F. Darabi

    2004-10-10T23:59:59.000Z

    We introduce a simple quantum mechanical justification for the formation of folded mountains. It is very appealing to develop this idea to a theory of {\\it Quantum Geophysics}

  4. Quantum Dots: Theory

    E-Print Network [OSTI]

    Vukmirovic, Nenad

    2010-01-01T23:59:59.000Z

    conventional conjugate gradient method [44] which is oftensolved using the conjugate gradient method. It turns outsuch as the conjugate gradient method. The atomic structure

  5. Spin and Conductance-Peak-Spacing Distributions in Large Quantum Dots: A Density-Functional Theory Study

    E-Print Network [OSTI]

    Baranger, Harold U.

    of solid-state physics. A semiconductor quantum dot (QD) [1,2]--a nanodevice in which electron motion was regu- lar in shape [24]. Our aim here is to bridge the gap between the two theoretical approaches

  6. Models of quantum computation and quantum programming languages

    E-Print Network [OSTI]

    J. A. Miszczak

    2011-12-03T23:59:59.000Z

    The goal of the presented paper is to provide an introduction to the basic computational models used in quantum information theory. We review various models of quantum Turing machine, quantum circuits and quantum random access machine (QRAM) along with their classical counterparts. We also provide an introduction to quantum programming languages, which are developed using the QRAM model. We review the syntax of several existing quantum programming languages and discuss their features and limitations.

  7. Spin densities from subsystem density-functional theory: Assessment and application to a photosynthetic reaction center complex model

    SciTech Connect (OSTI)

    Solovyeva, Alisa [Gorlaeus Laboratories, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Technical University Braunschweig, Institute for Physical and Theoretical Chemistry, Hans-Sommer-Str. 10, 38106 Braunschweig (Germany); Pavanello, Michele [Gorlaeus Laboratories, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Neugebauer, Johannes [Technical University Braunschweig, Institute for Physical and Theoretical Chemistry, Hans-Sommer-Str. 10, 38106 Braunschweig (Germany)

    2012-05-21T23:59:59.000Z

    Subsystem density-functional theory (DFT) is a powerful and efficient alternative to Kohn-Sham DFT for large systems composed of several weakly interacting subunits. Here, we provide a systematic investigation of the spin-density distributions obtained in subsystem DFT calculations for radicals in explicit environments. This includes a small radical in a solvent shell, a {pi}-stacked guanine-thymine radical cation, and a benchmark application to a model for the special pair radical cation, which is a dimer of bacteriochlorophyll pigments, from the photosynthetic reaction center of purple bacteria. We investigate the differences in the spin densities resulting from subsystem DFT and Kohn-Sham DFT calculations. In these comparisons, we focus on the problem of overdelocalization of spin densities due to the self-interaction error in DFT. It is demonstrated that subsystem DFT can reduce this problem, while it still allows to describe spin-polarization effects crossing the boundaries of the subsystems. In practical calculations of spin densities for radicals in a given environment, it may thus be a pragmatic alternative to Kohn-Sham DFT calculations. In our calculation on the special pair radical cation, we show that the coordinating histidine residues reduce the spin-density asymmetry between the two halves of this system, while inclusion of a larger binding pocket model increases this asymmetry. The unidirectional energy transfer in photosynthetic reaction centers is related to the asymmetry introduced by the protein environment.

  8. Reformulation of DFT+U as a pseudo-hybrid Hubbard density functional Luis A. Agapito,1, 2

    E-Print Network [OSTI]

    Curtarolo, Stefano

    the true energy of the many-body system of the electrons and the approxi- mate energy that we can computeReformulation of DFT+U as a pseudo-hybrid Hubbard density functional Luis A. Agapito,1, 2 Stefano have seen two competing approaches unfold to address these problems: DFT+U and hybrid exact exchange

  9. Interaction of the cesium cation with calix[4]arene-bis(t-octylbenzo-18-crown-6): Extraction and DFT study

    SciTech Connect (OSTI)

    Makrlik, Emanuel [Czech University of Life Sciences, Prague, Kamy´cká; Toman, Petr [Institute of Macromolecular Chemistry, Prague; Vanura, Petr [Institute of Chemical Technology, Prague, Czech Republic; Moyer, Bruce A [ORNL

    2013-01-01T23:59:59.000Z

    From extraction experiments and c-activity measurements, the extraction constant corresponding to the equilibrium Cs+ (aq) + I (aq) + 1 (org),1Cs+ (org) + I (org) taking place in the two-phase water-phenyltrifluoromethyl sulfone (abbrev. FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as logKex (1Cs+, I) = 2.1 0.1. Further, the stability constant of the 1Cs+ complex in FS 13 saturated with water was calculated for a temperature of 25 C: log borg (1Cs+) = 9.9 0.1. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1Cs+ was derived. In the resulting 1Cs+ complex, the central cation Cs+ is bound by eight bond interactions to six oxygen atoms of the respective 18-crown-6 moiety and to two carbons of the corresponding two benzene rings of the parent ligand 1 via cation p interaction.

  10. Assessment of the accuracy of DFT (Density Functional Theory) for the photochromic behavior of dihydroazulene (DHA)

    E-Print Network [OSTI]

    Ramachandran, Arathi

    2012-01-01T23:59:59.000Z

    Efficient utilization of the sun as a renewable and clean energy source is one of the greatest goals and challenges of this century due to the increasing demand for energy and its environmental impact. Photoactive molecules ...

  11. Introduction Classical Field Theory

    E-Print Network [OSTI]

    Baer, Christian

    Introduction Classical Field Theory Locally Covariant Quantum Field Theory Renormalization Time evolution Conclusions and outlook Locality and Algebraic Structures in Field Theory Klaus Fredenhagen II¨utsch and Pedro Lauridsen Ribeiro) Klaus Fredenhagen Locality and Algebraic Structures in Field Theory #12

  12. TjT^f'Dft Ris#-R-442 Department of Reactor

    E-Print Network [OSTI]

    Tf tf 4 otgiooRfc ©TjT^f'Dft Ris#-R-442 iK Department of Reactor Technology Annual Progress Report-R-442 DEPARTMENT OF REACTOR TECHNOLOGY ANNUAL PROGRESS REPORT 1 January - 31 December 1980 Abstract. The activities of the Department of Reactor Tech- nology at Riso during 1980 are described. The work is presented

  13. Fast radio-frequency amplitude modulation in multiple-quantum magic-angle-spinning nuclear magnetic resonance: Theory and experiments

    E-Print Network [OSTI]

    Frydman, Lucio

    Fast radio-frequency amplitude modulation in multiple-quantum magic-angle-spinning nuclear magnetic of this experiment has been the poor efficiency of the radio-frequency pulses used in converting multiple-modulated radio-frequency pulses, and which can yield substantial signal and even resolution enhancements over

  14. String Field Theory

    E-Print Network [OSTI]

    Washington Taylor

    2006-06-28T23:59:59.000Z

    This elementary introduction to string field theory highlights the features and the limitations of this approach to quantum gravity as it is currently understood. String field theory is a formulation of string theory as a field theory in space-time with an infinite number of massive fields. Although existing constructions of string field theory require expanding around a fixed choice of space-time background, the theory is in principle background-independent, in the sense that different backgrounds can be realized as different field configurations in the theory. String field theory is the only string formalism developed so far which, in principle, has the potential to systematically address questions involving multiple asymptotically distinct string backgrounds. Thus, although it is not yet well defined as a quantum theory, string field theory may eventually be helpful for understanding questions related to cosmology in string theory.

  15. Quantum theory as a description of robust experiments: Application to Stern-Gerlach and Einstein-Podolsky-Rosen-Bohm experiments

    E-Print Network [OSTI]

    H. De Raedt; M. I. Katsnelson; H. C. Donker; K. Michielsen

    2015-06-10T23:59:59.000Z

    We propose and develop the thesis that the quantum theoretical description of experiments emerges from the desire to organize experimental data such that the description of the system under scrutiny and the one used to acquire the data are separated as much as possible. Application to the Stern-Gerlach and Einstein-Podolsky-Rosen-Bohm experiments are shown to support this thesis. General principles of logical inference which have been shown to lead to the Schr\\"odinger and Pauli equation and the probabilistic descriptions of the Stern-Gerlach and Einstein-Podolsky-Rosen-Bohm experiments, are used to demonstrate that the condition for the separation procedure to yield the quantum theoretical description is intimately related to the assumptions that the observed events are independent and that the data generated by these experiments is robust with respect to small changes of the conditions under which the experiment is carried out.

  16. Embedding Quantum Information into Classical Spacetime: Information Geometrical Perspectives on anti-de Sitter space / conformal field theory Correspondence

    E-Print Network [OSTI]

    Hiroaki Matsueda

    2014-08-27T23:59:59.000Z

    An information-geometrical interpretation of AdS3/CFT2 correspondence is given. In particular, we consider an inverse problem in which the classical spacetime metric is given in advance and then we find what is the proper quantum information that is well stored into the spacetime. We see that the Fisher metric plays a central role on this problem. Actually, if we start with the two-dimensional hyperbolic space, a constant-time surface in AdS3, the resulting singular value spectrum of the quantum state shows power law for the correlation length with conformal dimension proportional to the curvature radius in the gravity side. Furthermore, the entanglement entropy data embedded into the hyperbolic space agree well with the Ryu-Takayanagi formula. These results show that the relevance of the AdS/CFT correspondence can be represented by the information-gemetrical approach based on the Fisher metric.

  17. The Vacuum Structure, Special Relativity and Quantum Mechanics Revisited: a Field Theory No-Geometry Approach within the Lagrangian and Hamiltonian Formalisms. Part 2

    E-Print Network [OSTI]

    Nikolai N. Bogolubov, Jr.; Anatoliy K. Prykarpatsky

    2008-10-21T23:59:59.000Z

    The main fundamental principles characterizing the vacuum field structure are formulated and the modeling of the related vacuum medium and charged point particle dynamics by means of devised field theoretic tools are analyzed. The work is devoted to studying the vacuum structure, special relativity, electrodynamics of interacting charged point particles and quantum mechanics, and is a continuation of \\cite{BPT,BRT1}. Based on the vacuum field theory no-geometry approach, the Lagrangian and Hamiltonian reformulation of some alternative classical electrodynamics models is devised. The Dirac type quantization procedure, based on the canonical Hamiltonian formulation, is developed for some alternative electrodynamics models. Within an approach developed a possibility of the combined description both of electrodynamics and gravity is analyzed.

  18. Generalized quantum defect methods in quantum chemistry

    E-Print Network [OSTI]

    Altunata, Serhan

    2006-01-01T23:59:59.000Z

    The reaction matrix of multichannel quantum defect theory, K, gives a complete picture of the electronic structure and the electron - nuclear dynamics for a molecule. The reaction matrix can be used to examine both bound ...

  19. Electronic Properties of Vinylene-Linked Heterocyclic Conducting Polymers: Predictive Design and Rational Guidance from DFT Calculations

    E-Print Network [OSTI]

    Bryan M. Wong; Joseph G. Cordaro

    2011-09-15T23:59:59.000Z

    The band structure and electronic properties in a series of vinylene-linked heterocyclic conducting polymers are investigated using density functional theory (DFT). In order to accurately calculate electronic band gaps, we utilize hybrid functionals with fully periodic boundary conditions to understand the effect of chemical functionalization on the electronic structure of these materials. The use of predictive first-principles calculations coupled with simple chemical arguments highlights the critical role that aromaticity plays in obtaining a low band gap polymer. Contrary to some approaches which erroneously attempt to lower the band gap by increasing the aromaticity of the polymer backbone, we show that being aromatic (or quinoidal) in itself does not insure a low band gap. Rather, an iterative approach which destabilizes the ground state of the parent polymer towards the aromatic \\leftrightarrow quinoidal level-crossing on the potential energy surface is a more effective way of lowering the band gap in these conjugated systems. Our results highlight the use of predictive calculations guided by rational chemical intuition for designing low band gap polymers in photovoltaic materials.

  20. Car–Parrinello molecular dynamics in the DFT + U formalism: Structure and energetics of solvated ferrous and ferric ions

    SciTech Connect (OSTI)

    Sit, P H L.; Cococcioni, Matteo; Marzari, Nicola N.

    2007-09-01T23:59:59.000Z

    The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. We implemented a rotationally-invariant Hubbard U extension to density-functional theory in the Car–Parrinello molecular dynamics framework, with the goal of bringing the accuracy of the DFT + U approach to finite-temperature simulations, especially for liquids or solids containing transition-metal ions. First, we studied the effects on the Hubbard U on the static equilibrium structure of the hexaaqua ferrous and ferric ions, and the inner-sphere reorganization energy for the electron-transfer reaction between aqueous ferrous and ferric ions. It is found that the reorganization energy is increased, mostly as a result of the Fe–O distance elongation in the hexa-aqua ferrous ion. Second, we performed a first-principles molecular dynamics study of the solvation structure of the two aqueous ferrous and ferric ions. The Hubbard term is found to change the Fe–O radial distribution function for the ferrous ion, while having a negligible effect on the aqueous ferric ion. Moreover, the frequencies of vibrations between Fe and oxygen atoms in the first-solvation shell are shown to be unaffected by the Hubbard corrections for both ferrous and ferric ions.

  1. Structure and energetics of solvated ferrous and ferric ions: Car-Parrinello molecular dynamics in the DFT+U formalism

    E-Print Network [OSTI]

    P. H. -L. Sit; Matteo Cococcioni; Nicola Marzari

    2007-01-12T23:59:59.000Z

    We implemented a rotationally-invariant Hubbard U extension to density-functional theory in the Car-Parrinello molecular dynamics framework, with the goal of bringing the accuracy of the DFT+U approach to finite-temperature simulations, especially for liquids or solids containing transition-metal ions. First, we studied the effects on the Hubbard U on the static equilibrium structure of the hexa-aqua ferrous and ferric ions, and the inner-sphere reorganization energy for the electron-transfer reaction between aqueous ferrous and ferric ions. It is found that the reorganization energy is increased, mostly as a result of the Fe-O distance elongation in the hexa-aqua ferrous ion. Second, we performed a first-principles molecular dynamics study of the solvation structure of the two aqueous ferrous and ferric ions. The Hubbard term is found to change the Fe-O radial distribution function for the ferrous ion, while having a negligible effect on the aqueous ferric ion. Moreover, the frequencies of vibrations between Fe and oxygen atoms in the first-solvation shell are shown to be unaffected by the Hubbard corrections for both ferrous and ferric ions.

  2. Theory of femtosecond coherent anti-Stokes Raman backscattering enhanced by quantum coherence for standoff detection of bacterial spores

    E-Print Network [OSTI]

    Ooi, C. H. Raymond; Beadie, G.; Kattawar, George W.; Reintjes, J. F.; Rostovtsev, Y.; Zubairy, M. Suhail; Scully, Marlan O.

    2005-01-01T23:59:59.000Z

    .25.Fx I. INTRODUCTION Coherent Anti-Stokes Raman Spectroscopy #1;CARS#2; has been widely used in molecular spectroscopy #3;1#4;. The avail- ability of femtosecond lasers opens up new avenues for studying subpicosecond molecular dynamics #3...;2#4; and time re- solved CARS spectroscopy #3;3#4;. On the other hand, it has been shown that quantum coherence can dramatically in- crease the nonlinear response in atomic, molecular, or solid state media without significant absorption #3;4#4;. The subject...

  3. Molecular cavity optomechanics: a theory of plasmon-enhanced Raman scattering

    E-Print Network [OSTI]

    Philippe Roelli; Christophe Galland; Nicolas Piro; Tobias J. Kippenberg

    2014-07-06T23:59:59.000Z

    The exceptional enhancement of Raman scattering cross-section by localized plasmonic resonances in the near-field of metallic surfaces, nanoparticles or tips has enabled spectrocopic fingerprinting of single-molecules and is widely used in material, chemical and biomedical analysis. Contrasting with this overwhelming practical success, conventional theories based on electromagnetic "hot spots" and electronic or chemical effects cannot account for all experimental observations. Here we present a novel theory of plasmon-enhanced Raman scattering by mapping the problem to cavity optomechanics. Using FEM and DFT simulations we calculate the optomechanical vacuum coupling rate between individual molecules and hot spots of metallic dimers. We find that dynamical backaction of the plasmon on the vibrational mode can lead to amplification of molecular vibrations under blue-detuned laser excitation, thereby revealing an enhancement mechanism not contemplated be- fore. The optomechanical theory provides a quantitative framework for the calculation of enhanced cross-sections, recovers known results, and enables the design of novel systems that leverage dynamical backaction to achieve additional, mode-selective enhancement. It yields a new understanding of plasmon-enhanced Raman scattering and opens a route to molecular quantum optomechanics.

  4. Quantum Vacuum Structure and Cosmology

    E-Print Network [OSTI]

    Johann Rafelski; Lance Labun; Yaron Hadad; Pisin Chen

    2009-09-16T23:59:59.000Z

    Short review of riddles that lie at the intersection of quantum theory, particle physics and cosmology; dark energy as false vacuum; discussion of a possible detection experiment.

  5. Revisiting HgCl2: A Solution- and Solid-State 199Hg NMR and ZORA-DFT Computational Study

    E-Print Network [OSTI]

    Taylor, Robert E; Carver, Colin T; Larsen, Ross E; Dmitrenko, Olga; Bai, Shi; Dybowski, Cecil

    2009-01-01T23:59:59.000Z

    7 (1997), 333-336. [26] R. E. Taylor, Concepts Magn. Reson.DFT Computational Study R. E. Taylor 1 *, Colin T. Carver2522 USA *Corresponding author: R. E. Taylor Email address:

  6. DFT-MD approach to TiO2/liquid interface systems for photocatalysis and dye-sensitised solar cell

    E-Print Network [OSTI]

    Katsumoto, Shingo

    DFT-MD approach to TiO2/liquid interface systems for photocatalysis and dye-sensitised solar cell- namics (MD) analysis of TiO2/solution in- terfaces related to photocatalysis and dye- sensitized solar

  7. Synthesis, crystal structure and DFT studies of N-(4-acetyl-5,5-dimethyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

    SciTech Connect (OSTI)

    Gautam, P.; Gautam, D.; Chaudhary, R. P., E-mail: rpchaudhary65@gmail.com [Sant Longowal Institute of Engineering and Technology, Department of Chemistry (India)

    2013-12-15T23:59:59.000Z

    The title compound N-(4-acetyl-5,5-dimethyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide (III) was obtained from the reaction of 2-(propan-2-ylidene)hydrazinecarbothioamide (II) with acetic anhydride instead of formation of the desired thiosemcarbazide derivative of Meldrum acid. The structures of II and III were established by elemental analysis, IR, NMR, Mass and X-ray crystallographic studies. II crystallizes in triclinic system, sp. gr. P-bar1 Z = 2; III crystallizes in the monoclinic system, sp. gr. P2{sub 1}/c, Z = 8. Density functional theory (DFT) calculations have been carried out for III. {sup 1}H and {sup 13}C NMR of III has been calculated and correlated with experimental results.

  8. Impact of local stacking on the graphene-impurity interaction: theory and experiments

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Impact of local stacking on the graphene-impurity interaction: theory and experiments F. Hiebel, P (Dated: January 16, 2014) We investigate the graphene-impurity interaction problem by combining impurity model and density functional theory (DFT) calculations - techniques. We use graphene on the Si

  9. Some foundational aspects of quantum computers and quantum robots.

    SciTech Connect (OSTI)

    Benioff, P.; Physics

    1998-01-01T23:59:59.000Z

    This paper addresses foundational issues related to quantum computing. The need for a universally valid theory such as quantum mechanics to describe to some extent its own validation is noted. This includes quantum mechanical descriptions of systems that do theoretical calculations (i.e. quantum computers) and systems that perform experiments. Quantum robots interacting with an environment are a small first step in this direction. Quantum robots are described here as mobile quantum systems with on-board quantum computers that interact with environments. Included are discussions on the carrying out of tasks and the division of tasks into computation and action phases. Specific models based on quantum Turing machines are described. Differences and similarities between quantum robots plus environments and quantum computers are discussed.

  10. Periodic subsystem density-functional theory

    SciTech Connect (OSTI)

    Genova, Alessandro; Pavanello, Michele, E-mail: m.pavanello@rutgers.edu [Department of Chemistry, Rutgers University, Newark, New Jersey 07102 (United States); Ceresoli, Davide [Department of Chemistry, Rutgers University, Newark, New Jersey 07102 (United States); CNR-ISTM, Institute of Molecular Sciences and Technologies, Milano (Italy)

    2014-11-07T23:59:59.000Z

    By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem Density Functional Theory (DFT) has recently emerged as a powerful tool for reducing the computational scaling of Kohn–Sham DFT. To date, however, FDE has been employed to molecular systems only. Periodic systems, such as metals, semiconductors, and other crystalline solids have been outside the applicability of FDE, mostly because of the lack of a periodic FDE implementation. To fill this gap, in this work we aim at extending FDE to treat subsystems of molecular and periodic character. This goal is achieved by a dual approach. On one side, the development of a theoretical framework for periodic subsystem DFT. On the other, the realization of the method into a parallel computer code. We find that periodic FDE is capable of reproducing total electron densities and (to a lesser extent) also interaction energies of molecular systems weakly interacting with metallic surfaces. In the pilot calculations considered, we find that FDE fails in those cases where there is appreciable density overlap between the subsystems. Conversely, we find FDE to be in semiquantitative agreement with Kohn–Sham DFT when the inter-subsystem density overlap is low. We also conclude that to make FDE a suitable method for describing molecular adsorption at surfaces, kinetic energy density functionals that go beyond the GGA level must be employed.

  11. Effect of Ligands on Characteristics of (CdSe)13 Quantum Dot

    SciTech Connect (OSTI)

    Gao, Yang; Zhou, Bo; Kang, Seung-gu; Xin, Minsi; Yang, Ping; Dai, Xing; Wang, Zhigang; Zhou, Ruhong

    2014-01-01T23:59:59.000Z

    The widespread applications of quantum dots (QDs) have spurred an increasing interest in the study of their coating ligands, which can not only protect the electronic structures of the central QDs, but also control their permeability through biological membranes with both size and shape. In this work, we have used density functional theory (DFT) to investigate the electronic structures of (CdSe)13 passivated by OPMe2(CH2)nMe ligands with different lengths and various numbers of branches (Me=methyl group, n = 0, 1-3). Our results show that the absorption peak in the ultraviolet-visible (UV-vis) spectra displays a clear blue-shift, on the scale of ~100 nm, upon the binding of ligands. Once the total number of ligands bound with (CdSe)13 reached a saturated number (9 or 10), no more blue-shift occurred in the absorption peak in the UV-vis spectra. On the other hand, the aliphatic chain length of ligands has a negligible effect on the optical properties of the QD core. Analyses of the bonding characteristics confirm that optical transitions are dominantly governed by the central QD core rather than the organic passivation. Interestingly, the density of states (DOS) share similar characteristics as vibrational spectra, even though there is no coordination vibration mode between the ligands and the central QD. These findings might provide insights on the material design for the passivation of quantum dots for biomedical applications.

  12. Bond length and electric current oscillation of long linear carbon chains: Density functional theory, MpB model, and quantum spin transport studies

    SciTech Connect (OSTI)

    Oeiras, R. Y.; Silva, E. Z. da [Institute of Physics “Gleb Wataghin”, University of Campinas-Unicamp, 13083-859 Campinas, SP (Brazil)] [Institute of Physics “Gleb Wataghin”, University of Campinas-Unicamp, 13083-859 Campinas, SP (Brazil)

    2014-04-07T23:59:59.000Z

    Carbon linear atomic chains attached to graphene have experimentally been produced. Motivated by these results, we study the nature of the carbon bonds in these nanowires and how it affects their electrical properties. In the present study we investigate chains with different numbers of atoms and we observe that nanowires with odd number of atoms present a distinct behavior than the ones with even numbers. Using graphene nanoribbons as leads, we identify differences in the quantum transport of the chains with the consequence that even and odd numbered chains have low and high electrical conduction, respectively. We also noted a dependence of current with the wire size. We study this unexpected behavior using a combination of first principles calculations and simple models based on chemical bond theory. From our studies, the electrons of carbon nanowires present a quasi-free electron behavior and this explains qualitatively the high electrical conduction and the bond lengths with unexpected values for the case of odd nanowires. Our study also allows the understanding of the electric conduction dependence with the number of atoms and their parity in the chain. In the case of odd number chains a proposed ?-bond (MpB) model describes unsaturated carbons that introduce a mobile ?-bond that changes dramatically the structure and transport properties of these wires. Our results indicate that the nature of bonds plays the main role in the oscillation of quantum electrical conduction for chains with even and odd number of atoms and also that nanowires bonded to graphene nanoribbons behave as a quasi-free electron system, suggesting that this behavior is general and it could also remain if the chains are bonded to other materials.

  13. Molecular simulations studies of gas adsorption in metal–organic frameworks 

    E-Print Network [OSTI]

    Chen, Linjiang

    2014-06-30T23:59:59.000Z

    Using computational tools ranging from molecular simulations – including both Monte Carlo and molecular dynamics methods – to quantum mechanical (QM) calculations (primarily at density functional theory (DFT) level), ...

  14. Nested Quantum Error Correction Codes

    E-Print Network [OSTI]

    Zhuo Wang; Kai Sun; Hen Fan; Vlatko Vedral

    2009-09-28T23:59:59.000Z

    The theory of quantum error correction was established more than a decade ago as the primary tool for fighting decoherence in quantum information processing. Although great progress has already been made in this field, limited methods are available in constructing new quantum error correction codes from old codes. Here we exhibit a simple and general method to construct new quantum error correction codes by nesting certain quantum codes together. The problem of finding long quantum error correction codes is reduced to that of searching several short length quantum codes with certain properties. Our method works for all length and all distance codes, and is quite efficient to construct optimal or near optimal codes. Two main known methods in constructing new codes from old codes in quantum error-correction theory, the concatenating and pasting, can be understood in the framework of nested quantum error correction codes.

  15. Progress on Problem about Quantum Hamming Bound for Impure Quantum Codes

    E-Print Network [OSTI]

    Zhuo Li; Lijuan Xing

    2009-07-22T23:59:59.000Z

    A famous open problem in the theory of quantum error-correcting codes is whether or not the parameters of an impure quantum code can violate the quantum Hamming bound for pure quantum codes. We partially solve this problem. We demonstrate that there exists a threshold such that an arbitrary quantum code must obey the quantum Hamming bound whenever . We list some values of for small d and binary quantum codes.

  16. On the theory of superconductivity 

    E-Print Network [OSTI]

    Cheng, Kai-Chia

    The phenomenon of superconductivity has so for defied all attempts of explanation since it was first discovered in 1911. Although two phenomenological theories have been put forward and proved very successful, yet no atomic theories based on quantum...

  17. CLASSICAL FIELD THEORY WITH Z (3) SYMMETRY

    E-Print Network [OSTI]

    Ruck, H.M.

    2010-01-01T23:59:59.000Z

    and H.M. Ruck, Quantum field theory Potts model, J. Math.in cyclic symmetry field theories, Nucl. Phys. B167 M.J.waves in nonlinear field theories, Phys. Rev. Lett. 32. R.

  18. A Review of Noncommutative Field Theories

    E-Print Network [OSTI]

    Victor O. Rivelles

    2011-01-27T23:59:59.000Z

    We present a brief review of selected topics in noncommutative field theories ranging from its revival in string theory, its influence on quantum field theories, its possible experimental signatures and ending with some applications in gravity and emergent gravity.

  19. Progress at the interface of wave-function and density-functional theories

    SciTech Connect (OSTI)

    Gidopoulos, Nikitas I. [ISIS, Rutherford Appleton Laboratory, STFC, Didcot, OX11 0QX, Oxon (United Kingdom)

    2011-04-15T23:59:59.000Z

    The Kohn-Sham (KS) potential of density-functional theory (DFT) emerges as the minimizing effective potential in a variational scheme that does not involve fixing the unknown single-electron density. Using Rayleigh Schroedinger (RS) perturbation theory (PT), we construct ab initio approximations for the energy difference, the minimization of which determines the KS potential directly - thereby bypassing DFT's traditional algorithm to search for the density that minimizes the total energy. From second-order RS PT, we obtain variationally stable energy differences to be minimized, solving the severe problem of variational collapse of orbital-dependent exchange-correlation functionals based on second-order RS PT.

  20. Quantum Robot: Structure, Algorithms and Applications

    E-Print Network [OSTI]

    Dao-Yi Dong; Chun-Lin Chen; Chen-Bin Zhang; Zong-Hai Chen

    2005-06-18T23:59:59.000Z

    A kind of brand-new robot, quantum robot, is proposed through fusing quantum theory with robot technology. Quantum robot is essentially a complex quantum system and it is generally composed of three fundamental parts: MQCU (multi quantum computing units), quantum controller/actuator, and information acquisition units. Corresponding to the system structure, several learning control algorithms including quantum searching algorithm and quantum reinforcement learning are presented for quantum robot. The theoretic results show that quantum robot can reduce the complexity of O(N^2) in traditional robot to O(N^(3/2)) using quantum searching algorithm, and the simulation results demonstrate that quantum robot is also superior to traditional robot in efficient learning by novel quantum reinforcement learning algorithm. Considering the advantages of quantum robot, its some potential important applications are also analyzed and prospected.

  1. Noncommutative Supergeometry and Quantum Supergroups

    E-Print Network [OSTI]

    Axel de Goursac

    2015-01-26T23:59:59.000Z

    This is a review of concepts of noncommutative supergeometry - namely Hilbert superspace, C*-superalgebra, quantum supergroup - and corresponding results. In particular, we present applications of noncommutative supergeometry in harmonic analysis of Lie supergroups, non-formal deformation quantization of supermanifolds, quantum field theory on noncommutative spaces; and we give explicit examples such as deformation of flat superspaces, noncommutative supertori, solvable topological quantum supergroups.

  2. Quantum Monte Carlo calculations of electromagnetic transitions in $^8$Be with meson-exchange currents derived from chiral effective field theory

    SciTech Connect (OSTI)

    Pastore, S. [University of South Carolina; Wiringa, Robert B. [ANL; Pieper, Steven C. [ANL; Schiavilla, Rocco [Old Dominion U., JLAB

    2014-08-01T23:59:59.000Z

    We report quantum Monte Carlo calculations of electromagnetic transitions in $^8$Be. The realistic Argonne $v_{18}$ two-nucleon and Illinois-7 three-nucleon potentials are used to generate the ground state and nine excited states, with energies that are in excellent agreement with experiment. A dozen $M1$ and eight $E2$ transition matrix elements between these states are then evaluated. The $E2$ matrix elements are computed only in impulse approximation, with those transitions from broad resonant states requiring special treatment. The $M1$ matrix elements include two-body meson-exchange currents derived from chiral effective field theory, which typically contribute 20--30\\% of the total expectation value. Many of the transitions are between isospin-mixed states; the calculations are performed for isospin-pure states and then combined with the empirical mixing coefficients to compare to experiment. In general, we find that transitions between states that have the same dominant spatial symmetry are in decent agreement with experiment, but those transitions between different spatial symmetries are often significantly underpredicted.

  3. Copenhagen Quantum Mechanics Emerges from a Deterministic Schroedinger Theory in 11 Dimensional Spacetime Including Weak Field Gravitation

    E-Print Network [OSTI]

    Gerold Doyen; Deiana Drakova

    2014-08-12T23:59:59.000Z

    We construct a world model consisting of a matter field living in 4 dimensional spacetime and a gravitational field living in 11 dimensional spacetime. The seven hidden dimensions are compactified within a radius estimated by reproducing the particle - wave characteristic of diffraction experiments. In the presence of matter fields the gravitational field develops localized modes with elementary excitations called gravonons which are induced by the sources (massive particles). The final world model treated here contains only gravonons and a scalar matter field. The solution of the Schroedinger equation for the world model yields matter fields which are localized in the 4 dimensional subspace. The localization has the following properties: (i) There is a chooser mechanism for the selection of the localization site. (ii) The chooser selects one site on the basis of minor energy differences and differences in the gravonon structure between the sites, which appear statistical. (iii) The changes from one localization site to a neighbouring one take place in a telegraph-signal like manner. (iv) The times at which telegraph like jumps occur dependent on subtleties of the gravonon structure which appear statistical. (v) The fact that the dynamical law acts in the configuration space of fields living in 11 dimensional spacetime lets the events observed in 4 dimensional spacetime appear non-local. In this way the phenomenology of Copenhagen quantum mechanics is obtained without the need of introducing the process of collapse and a probabilistic interpretation of the wave function. Operators defining observables need not be introduced. All experimental findings are explained in a deterministic way as a consequence of the time development of the wave function in configuration space according to Schroedinger's equation.

  4. M-Theory and Maximally Supersymmetric Gauge Theories

    E-Print Network [OSTI]

    Neil Lambert

    2012-05-21T23:59:59.000Z

    In this informal review for non-specalists we discuss the construction of maximally supersymmetric gauge theories that arise on the worldvolumes branes in String Theory and M-Theory. Particular focus is made on the relatively recent construction of M2-brane worldvolume theories. In a formal sense, the existence of these quantum field theories can be viewed as predictions of M-Theory. Their construction is therefore a reinforcement of the ideas underlying String Theory and M-Theory. We also briefly discuss the six-dimensional conformal field theory that is expected to arise on M5-branes. The construction of this theory is not only an important open problem for M-Theory but also a significant challenge to our current understanding of quantum field theory more generally.

  5. DFT and time-resolved IR investigation of electron transfer between photogenerated 17- and 19-electron organometallic radicals

    SciTech Connect (OSTI)

    Cahoon, James B.; Kling, Matthias F.; Sawyer, Karma R.; Andersen, Lars K.; Harris, Charles B.

    2008-04-30T23:59:59.000Z

    The photochemical disproportionation mechanism of [CpW(CO){sub 3}]{sub 2} in the presence of Lewis bases PR{sub 3} was investigated on the nano- and microsecond time-scales with Step-Scan FTIR time-resolved infrared spectroscopy. 532 nm laser excitation was used to homolytically cleave the W-W bond, forming the 17-electron radicals CpW(CO){sub 3} and initiating the reaction. With the Lewis base PPh{sub 3}, disproportionation to form the ionic products CpW(CO){sub 3}PPh{sub 3}{sup +} and CpW(CO){sub 3}{sup -} was directly monitored on the microsecond time-scale. Detailed examination of the kinetics and concentration dependence of this reaction indicates that disproportionation proceeds by electron transfer from the 19-electron species CpW(CO){sub 3}PPh{sub 3} to the 17-electron species CpW(CO){sub 3}. This result is contrary to the currently accepted disproportionation mechanism which predicts electron transfer from the 19-electron species to the dimer [CpW(CO){sub 3}]{sub 2}. With the Lewis base P(OMe){sub 3} on the other hand, ligand substitution to form the product [CpW(CO){sub 2}P(OMe){sub 3}]{sub 2} is the primary reaction on the microsecond time-scale. Density Functional Theory (DFT) calculations support the experimental results and suggest that the differences in the reactivity between P(OMe){sub 3} and PPh{sub 3} are due to steric effects. The results indicate that radical-to-radical electron transfer is a previously unknown but important process for the formation of ionic products with the organometallic dimer [CpW(CO){sub 3}]{sub 2} and may also be applicable to the entire class of organometallic dimers containing a single metal-metal bond.

  6. Quantum operations and codes beyond the Stabilizer-Clifford framework

    E-Print Network [OSTI]

    Zeng, Bei, Ph. D. Massachusetts Institute of Technology

    2009-01-01T23:59:59.000Z

    The discovery of quantum error-correcting codes (QECCs) and the theory of fault-tolerant quantum computation (FTQC) have greatly improved the long-term prospects for quantum communication and computation technology. ...

  7. 5.74 Introductory Quantum Mechanics II, Spring 2007

    E-Print Network [OSTI]

    Tokmakoff, Andrei

    Time-dependent quantum mechanics and spectroscopy. Topics covered include perturbation theory, two-level systems, light-matter interactions, relaxation in quantum systems, correlation functions and linear response theory, ...

  8. 5.74 Introductory Quantum Mechanics II, Spring 2003

    E-Print Network [OSTI]

    Tokmakoff, Andrei

    Time-dependent quantum mechanics and spectroscopy. Topics covered include perturbation theory, two-level systems, light-matter interactions, relaxation in quantum systems, correlation functions and linear response theory, ...

  9. On Halting Process of Quantum Turing Machine

    E-Print Network [OSTI]

    Takayuki Miyadera; Masanori Ohya

    2003-02-07T23:59:59.000Z

    We prove that there is no algorithm to tell whether an arbitrarily constructed Quantum Turing Machine has same time steps for different branches of computation. We, hence, can not avoid the notion of halting to be probabilistic in Quantum Turing Machine. Our result suggests that halting scheme of Quantum Turing Machine and quantum complexity theory based upon the existing halting scheme sholud be reexamined.

  10. Efficiency and formalism of quantum games

    E-Print Network [OSTI]

    Chiu Fan Lee; Neil Johnson

    2008-09-19T23:59:59.000Z

    We pursue a general theory of quantum games. We show that quantum games are more efficient than classical games, and provide a saturated upper bound for this efficiency. We demonstrate that the set of finite classical games is a strict subset of the set of finite quantum games. We also deduce the quantum version of the Minimax Theorem and the Nash Equilibrium Theorem.

  11. Intrinsic Time Quantum Geometrodynamics

    E-Print Network [OSTI]

    Eyo Eyo Ita III; Chopin Soo; Hoi-Lai Yu

    2015-02-06T23:59:59.000Z

    Quantum Geometrodynamics with intrinsic time development and momentric variables is presented. An underlying SU(3) group structure at each spatial point regulates the theory. The intrinsic time behavior of the theory is analyzed, together with its ground state and primordial quantum fluctuations. Cotton-York potential dominates at early times when the universe was small; the ground state naturally resolves Penrose's Weyl Curvature Hypothesis, and thermodynamic and gravitational `arrows of time' point in the same direction. Ricci scalar potential corresponding to Einstein's General Relativity emerges as a zero-point energy contribution. A new set of fundamental commutation relations without Planck's constant emerges from the unification of Gravitation and Quantum Mechanics.

  12. Intrinsic Time Quantum Geometrodynamics

    E-Print Network [OSTI]

    Ita, Eyo Eyo; Yu, Hoi-Lai

    2015-01-01T23:59:59.000Z

    Quantum Geometrodynamics with intrinsic time development and momentric variables is presented. An underlying SU(3) group structure at each spatial point regulates the theory. The intrinsic time behavior of the theory is analyzed, together with its ground state and primordial quantum fluctuations. Cotton-York potential dominates at early times when the universe was small; the ground state naturally resolves Penrose's Weyl Curvature Hypothesis, and thermodynamic and gravitational `arrows of time' point in the same direction. Ricci scalar potential corresponding to Einstein's General Relativity emerges as a zero-point energy contribution. A new set of fundamental canonical commutation relations without Planck's constant emerges from the unification of Gravitation and Quantum Mechanics.

  13. Are quantum states real?

    E-Print Network [OSTI]

    Lucien Hardy

    2012-06-14T23:59:59.000Z

    In this paper we consider theories in which reality is described by some underlying variables. Each value these variables can take represents an ontic state (a particular state of reality). The preparation of a quantum state corresponds to a distribution over the ontic states. If we make three basic assumptions, we can show that the distributions over ontic states corresponding to distinct pure states are non-overlapping. This means that we can deduce the quantum state from a knowledge of the ontic state. Hence, if these assumptions are correct, we can claim that the quantum state is a real thing (it is written into the underlying variables that describe reality). The key assumption we use in this proof is ontic indifference - that quantum transformations that do not affect a given pure quantum state can be implemented in such a way that they do not affect the ontic states in the support of that state. In fact this assumption is violated in the Spekkens toy model (which captures many aspects of quantum theory and in which different pure states of the model have overlapping distributions over ontic states). This paper proves that ontic indifference must be violated in any model reproducing quantum theory in which the quantum state is not a real thing. The argument presented in this paper is different from that given in a recent paper by Pusey, Barrett, and Rudolph. It uses a different key assumption and it pertains to a single copy of the system in question.

  14. State sum models for quantum gravity

    E-Print Network [OSTI]

    John W. Barrett

    2000-10-12T23:59:59.000Z

    This paper reviews the construction of quantum field theory on a 4-dimensional spacetime by combinatorial methods, and discusses the recent developments in the direction of a combinatorial construction of quantum gravity.

  15. Composite Photon Theory Versus Elementary Photon Theory

    E-Print Network [OSTI]

    Walton A. Perkins

    2015-03-02T23:59:59.000Z

    The purpose of this paper is to show that the composite photon theory measures up well against the Standard Model's elementary photon theory. This is done by comparing the two theories area by area. Although the predictions of quantum electrodynamics are in excellent agreement with experiment (as in the anomalous magnetic moment of the electron), there are some problems, such as the difficulty in describing the electromagnetic field with the four-component vector potential because the photon has only two polarization states. In most areas the two theories give similar results, so it is impossible to rule out the composite photon theory. Pryce's arguments in 1938 against a composite photon theory are shown to be invalid or irrelevant. Recently, it has been realized that in the composite theory the antiphoton does not interact with matter because it is formed of a neutrino and an antineutrino with the wrong helicity. This leads to experimental tests that can determine which theory is correct.

  16. Fault Tolerant Quantum Filtering and Fault Detection for Quantum Systems

    E-Print Network [OSTI]

    Qing Gao; Daoyi Dong; Ian R. Petersen

    2015-04-26T23:59:59.000Z

    This paper aims to determine the fault tolerant quantum filter and fault detection equation for a class of open quantum systems coupled to laser fields and subject to stochastic faults. In order to analyze open quantum systems where the system dynamics involve both classical and quantum random variables, a quantum-classical probability space model is developed. Using a reference probability approach, a fault tolerant quantum filter and a fault detection equation are simultaneously derived for this class of open quantum systems. An example of two-level open quantum systems subject to Poisson-type faults is presented to illustrate the proposed method. These results have the potential to lead to a new fault tolerant control theory for quantum systems.

  17. Duality Symmetric String and M-Theory

    E-Print Network [OSTI]

    David S. Berman; Daniel C. Thompson

    2014-12-09T23:59:59.000Z

    We review recent developments in duality symmetric string theory. We begin with the world sheet doubled formalism which describes strings in an extended space time with extra coordinates conjugate to winding modes. This formalism is T-duality symmetric and can accommodate non-geometric T-fold backgrounds which are beyond the scope of Riemannian geometry. Vanishing of the conformal anomaly of this theory can be interpreted as a set of spacetime equations for the background fields. These equations follow from an action principle that has been dubbed Double Field Theory (DFT). We review the aspects of generalised geometry relevant for DFT. We outline recent extensions of DFT and explain how, by relaxing the so-called strong constraint with a Scherk Schwarz ansatz, one can obtain backgrounds that simultaneously depend on both the regular and T-dual coordinates. This provides a purely geometric higher dimensional origin to gauged supergravities that arise from non-geometric compactification. We then turn to M-theory and describe recent progress in formulating an E_{n(n)} U-duality covariant description of the dynamics. We describe how spacetime may be extended to accommodate coordinates conjugate to brane wrapping modes and the construction of generalised metrics in this extend space that unite the bosonic fields of supergravity into a single object. We review the action principles for these theories and their novel gauge symmetries. We also describe how a Scherk Schwarz reduction can be applied in the M-theory context and the resulting relationship to the embedding tensor formulation of maximal gauged supergravities.

  18. Einstein and the Quantum

    E-Print Network [OSTI]

    Virendra Singh

    2005-10-24T23:59:59.000Z

    We review here the main contributions of Einstein to the quantum theory. To put them in perspective we first give an account of Physics as it was before him. It is followed by a brief account of the problem of black body radiation which provided the context for Planck to introduce the idea of quantum. Einstein's revolutionary paper of 1905 on light-quantum hypothesis is then described as well as an application of this idea to the photoelectric effect. We next take up a discussion of Einstein's other contributions to old quantum theory. These include (i) his theory of specific heat of solids, which was the first application of quantum theory to matter, (ii) his discovery of wave-particle duality for light and (iii) Einstein's A and B coefficients relating to the probabilities of emission and absorption of light by atomic systems and his discovery of radiation stimulated emission of light which provides the basis for laser action. We then describe Einstein's contribution to quantum statistics viz Bose-Einstein Statistics and his prediction of Bose-Einstein condensation of a boson gas. Einstein played a pivotal role in the discovery of Quantum mechanics and this is briefly mentioned. After 1925 Einstein's contributed mainly to the foundations of Quantum Mechanics. We choose to discuss here (i) his Ensemble (or Statistical) Interpretation of Quantum Mechanics and (ii) the discovery of Einstein-Podolsky-Rosen (EPR) correlations and the EPR theorem on the conflict between Einstein-Locality and the completeness of the formalism of Quantum Mechanics. We end with some comments on later developments.

  19. Renormalisation of Noncommutative Quantum Field Harald Grosse1

    E-Print Network [OSTI]

    Wulkenhaar, Raimar

    Renormalisation of Noncommutative Quantum Field Theory Harald Grosse1 and Raimar Wulkenhaar2 1 recall some models for noncommutative space-time and discuss quantum field theories on these deformed. Keywords: noncommutative geometry; quantum field theory; renormalisation AMS Subject Classification: 81T15

  20. Quantum dice

    SciTech Connect (OSTI)

    Sassoli de Bianchi, Massimiliano, E-mail: autoricerca@gmail.com

    2013-09-15T23:59:59.000Z

    In a letter to Born, Einstein wrote [42]: “Quantum mechanics is certainly imposing. But an inner voice tells me that it is not yet the real thing. The theory says a lot, but does not really bring us any closer to the secret of the ‘old one.’ I, at any rate, am convinced that He does not throw dice.” In this paper we take seriously Einstein’s famous metaphor, and show that we can gain considerable insight into quantum mechanics by doing something as simple as rolling dice. More precisely, we show how to perform measurements on a single die, to create typical quantum interference effects, and how to connect (entangle) two identical dice, to maximally violate Bell’s inequality. -- Highlights: •Rolling a die is a quantum process admitting a Hilbert space representation. •Rolling experiments with a single die can produce interference effects. •Two connected dice can violate Bell’s inequality. •Correlations need to be created by the measurement, to violate Bell’s inequality.

  1. Quantum Gravitational Optics

    E-Print Network [OSTI]

    Graham M Shore

    2003-04-15T23:59:59.000Z

    In quantum theory, the curved spacetime of Einstein's general theory of relativity acts as a dispersive optical medium for the propagation of light. Gravitational rainbows and birefringence replace the classical picture of light rays mapping out the null geodesics of curved spacetime. Even more remarkably, {\\it superluminal} propagation becomes a real possibility, raising the question of whether it is possible to send signals into the past. In this article, we review recent developments in the quantum theory of light propagation in general relativity and discuss whether superluminal light is compatible with causality.

  2. DFT modeling of adsorption onto uranium metal using large-scale parallel computing

    SciTech Connect (OSTI)

    Davis, N.; Rizwan, U. [Department of Nuclear, Plasma, and Radiological Engineering, University of Illinois at Urbana-Champaign, Urbana, IL (United States)

    2013-07-01T23:59:59.000Z

    There is a dearth of atomistic simulations involving the surface chemistry of 7-uranium which is of interest as the key fuel component of a breeder-burner stage in future fuel cycles. Recent availability of high-performance computing hardware and software has rendered extended quantum chemical surface simulations involving actinides feasible. With that motivation, data for bulk and surface 7-phase uranium metal are calculated in the plane-wave pseudopotential density functional theory method. Chemisorption of atomic hydrogen and oxygen on several un-relaxed low-index faces of 7-uranium is considered. The optimal adsorption sites (calculated cohesive energies) on the (100), (110), and (111) faces are found to be the one-coordinated top site (8.8 eV), four-coordinated center site (9.9 eV), and one-coordinated top 1 site (7.9 eV) respectively, for oxygen; and the four-coordinated center site (2.7 eV), four-coordinated center site (3.1 eV), and three-coordinated top2 site (3.2 eV) for hydrogen. (authors)

  3. Quantum nonlocality

    SciTech Connect (OSTI)

    Stapp, H.P.

    1988-04-01T23:59:59.000Z

    It is argued that the validity of the predictions of quantum theory in certain spin-correlation experiments entails a violation of Einstein's locality idea that no causal influence can act outside the forward light cone. First, two preliminary arguments suggesting such a violation are reviewed. They both depend, in intermediate stages, on the idea that the results of certain unperformed experiments are physically determinate. The second argument is entangled also with the problem of the meaning of physical reality. A new argument having neither of these characteristics is constructed. It is based strictly on the orthodox ideas of Bohr and Heisenberg, and has no realistic elements, or other ingredients, that are alien to orthodox quantum thinking.

  4. Quantum mechanism helps agents combat "bad" social choice rules

    E-Print Network [OSTI]

    Haoyang Wu

    2011-04-22T23:59:59.000Z

    Quantum strategies have been successfully applied to game theory for years. However, as a reverse problem of game theory, the theory of mechanism design is ignored by physicists. In this paper, the theory of mechanism design is generalized to a quantum domain. The main result is that by virtue of a quantum mechanism, agents who satisfy a certain condition can combat "bad" social choice rules instead of being restricted by the traditional mechanism design theory.

  5. Quantum Locality?

    SciTech Connect (OSTI)

    Stapp, Henry

    2011-11-10T23:59:59.000Z

    Robert Griffiths has recently addressed, within the framework of a ‘consistent quantum theory’ (CQT) that he has developed, the issue of whether, as is often claimed, quantum mechanics entails a need for faster-than-light transfers of information over long distances. He argues, on the basis of his examination of certain arguments that claim to demonstrate the existence of such nonlocal influences, that such influences do not exist. However, his examination was restricted mainly to hidden-variable-based arguments that include in their premises some essentially classical-physics-type assumptions that are fundamentally incompatible with the precepts of quantum physics. One cannot logically prove properties of a system by attributing to the system properties alien to that system. Hence Griffiths’ rejection of hidden-variable-based proofs is logically warranted. Griffiths mentions the existence of a certain alternative proof that does not involve hidden variables, and that uses only macroscopically described observable properties. He notes that he had examined in his book proofs of this general kind, and concluded that they provide no evidence for nonlocal influences. But he did not examine the particular proof that he cites. An examination of that particular proof by the method specified by his ‘consistent quantum theory’ shows that the cited proof is valid within that restrictive framework. This necessary existence, within the ‘consistent’ framework, of long range essentially instantaneous influences refutes the claim made by Griffiths that his ‘consistent’ framework is superior to the orthodox quantum theory of von Neumann because it does not entail instantaneous influences. An added section responds to Griffiths’ reply, which cites a litany of ambiguities that seem to restrict, devastatingly, the scope of his CQT formalism, apparently to buttress his claim that my use of that formalism to validate the nonlocality theorem is flawed. But the vagaries that he cites do not upset the proof in question. It is show here in detail why the precise statement of this theorem justifies the specified application of CQT. It is also shown, in response to his challenge, why a putative proof of locality that he has proposed is not valid.

  6. Quantum Information Science Quantum information science is one of the most

    E-Print Network [OSTI]

    ____ 22 Quantum Information Science Quantum information science is one of the most dynamic areas disciplines of quantum physics and computer science/inform- ation theory have been forged, leading on the one and search. Quantum Information Science 16 August to 17 December 2004 Report from the Organisers: CH Bennett

  7. Quantum stabilizer codes and beyond

    E-Print Network [OSTI]

    Pradeep Kiran Sarvepalli

    2008-10-14T23:59:59.000Z

    The importance of quantum error correction in paving the way to build a practical quantum computer is no longer in doubt. This dissertation makes a threefold contribution to the mathematical theory of quantum error-correcting codes. Firstly, it extends the framework of an important class of quantum codes -- nonbinary stabilizer codes. It clarifies the connections of stabilizer codes to classical codes over quadratic extension fields, provides many new constructions of quantum codes, and develops further the theory of optimal quantum codes and punctured quantum codes. Secondly, it contributes to the theory of operator quantum error correcting codes also called as subsystem codes. These codes are expected to have efficient error recovery schemes than stabilizer codes. This dissertation develops a framework for study and analysis of subsystem codes using character theoretic methods. In particular, this work establishes a close link between subsystem codes and classical codes showing that the subsystem codes can be constructed from arbitrary classical codes. Thirdly, it seeks to exploit the knowledge of noise to design efficient quantum codes and considers more realistic channels than the commonly studied depolarizing channel. It gives systematic constructions of asymmetric quantum stabilizer codes that exploit the asymmetry of errors in certain quantum channels.

  8. Quantum realism and quantum surrealism

    E-Print Network [OSTI]

    Mateus Araújo

    2014-08-29T23:59:59.000Z

    In this thesis we explore the questions of what should be considered a "classical" theory, and which aspects of quantum theory cannot be captured by any theory that respects our intuition of classicality. This exploration is divided in two parts: in the first we review classical results of the literature, such as the Kochen-Specker theorem, von Neumann's theorem, Gleason's theorem, as well as more recent ideas, such as the distinction between $\\psi$-ontic and $\\psi$-epistemic ontological models, Spekkens' definition of contextuality, Hardy's ontological excess baggage theorem and the PBR theorem. The second part is concerned with pinning down what should be the "correct" definition of contextuality. We settle down on the definition advocated by Abramsky and Branderburger, motivated by the Fine theorem, and show the connection of this definition with the work of George Boole. This definition allows us to unify the notions of locality and noncontextuality, and use largely the same tools to characterize how quantum mechanics violates these notions of classicality. Exploring this formalism, we find a new family of noncontextuality inequalities. We conclude by reviewing the notion of state-independent contextuality.

  9. CONFORMAL INVARIANT QUANTUM FIELD THEORY CONFORMAL INVARIANT QUANTUM FIELD THEORY

    E-Print Network [OSTI]

    Boyer, Edmond

    according to \\r( There and below the dotted lines in the bubble may serve to remind one that the amplitude, in which an n-point Green function will be represented by a bubble with n long legs. The dressed 2-point function (propagator) will be represented by a line and sawing off a leg from a bubble means amputation

  10. Chemisorption of (CHx and C2Hy) Hydrocarbons on Pt(111) Clusters and Surfaces from DFT Studies

    E-Print Network [OSTI]

    Goddard III, William A.

    Chemisorption of (CHx and C2Hy) Hydrocarbons on Pt(111) Clusters and Surfaces from DFT Studies Timo that these hydrocarbons all bind covalently (-bonds) to the surface, in agreement with the studies by Kua and Goddard on small Pt clusters. In nearly every case the structure of the adsorbed hydrocarbon achieves a saturated

  11. The DFT+Umol method and its application to the adsorption of CO on platinum model clusters

    SciTech Connect (OSTI)

    Soini, Thomas M.; Krüger, Sven [Department Chemie and Catalysis Research Center, Technische Universität München, 85747 Garching (Germany)] [Department Chemie and Catalysis Research Center, Technische Universität München, 85747 Garching (Germany); Rösch, Notker, E-mail: roesch@mytum.de [Department Chemie and Catalysis Research Center, Technische Universität München, 85747 Garching (Germany) [Department Chemie and Catalysis Research Center, Technische Universität München, 85747 Garching (Germany); Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, No. 16-16 Connexis, Singapore 138632 (Singapore)

    2014-05-07T23:59:59.000Z

    Semi-local DFT approximations are well-known for their difficulty with describing the correct site preference for the adsorption of CO molecules on (111) surfaces of several late transition metals. To address this problem originating from a residual self-interaction in the CO LUMO, we present the DFT+Umol approach which generalizes the empirical DFT+U correction to fragment molecular orbitals. This correction is applied to examine CO adsorption energies at various sites on the (111) facets of cuboctahedral clusters Pt{sub m}(CO){sub 8} (m = 79, 140, 225). The DFT+Umol correction leaves the electronic ground state of metal clusters, in particular their d-band structure, essentially unchanged, affecting almost exclusively the energy of the CO LUMO. As a result, that correction is significantly stronger for complexes at hollow sites, hence increases the propensity for adsorption at top sites. We also analyze competing edge effects on the (111) facets of the cluster models.

  12. Introduction to spherical field theory

    E-Print Network [OSTI]

    Dean Lee

    1998-11-12T23:59:59.000Z

    Spherical field theory is a new non-perturbative method for studying quantum field theories. It uses the spherical partial wave expansion to reduce a general d-dimensional Euclidean field theory into a set of coupled one-dimensional systems. The coupled one-dimensional systems are then converted to partial differential equations and solved numerically. We demonstrate the methods of spherical field theory by analyzing Euclidean phi^4 theory in two dimensions.

  13. Exploring the interaction between lithium ion and defective graphene surface using dispersion corrected DFT studies

    SciTech Connect (OSTI)

    Vijayakumar, M.; Hu, Jian Z.

    2013-10-15T23:59:59.000Z

    To analyze the lithium ion interaction with realistic graphene surfaces, we carried out dispersion corrected DFT-D3 studies on graphene with common point defects and chemisorbed oxygen containing functional groups along with defect free graphene surface. Our study reveals that, the interaction between lithium ion (Li+) and graphene is mainly through the delocalized ? electron of pure graphene layer. However, the oxygen containing functional groups pose high adsorption energy for lithium ion due to the Li-O ionic bond formation. Similarly, the point defect groups interact with lithium ion through possible carbon dangling bonds and/or cation-? type interactions. Overall these defect sites render a preferential site for lithium ions compared with pure graphene layer. Based on these findings, the role of graphene surface defects in lithium battery performance were discussed.

  14. Tuning Range-Separated Density Functional Theory for Photocatalytic Water Splitting Systems

    E-Print Network [OSTI]

    Bokareva, Olga S; Bokarev, Sergey I; Kühn, Oliver

    2015-01-01T23:59:59.000Z

    We discuss the applicability of long-range separated density functional theory (DFT) to the prediction of electronic transitions of a particular photocatalytic system based on an Ir(III) photosensitizer (IrPS). Special attention is paid to the charge-transfer properties which are of key importance for the photoexcitation dynamics, but and cannot be correctly described by means of conventional DFT. The optimization of the range-separation parameter is discussed for IrPS including its complexes with electron donors and acceptors used in photocatalysis. Particular attention is paid to the problems arising for a description of medium effects by a polarizable continuum model.

  15. The combination of de Broglie's Harmony of the Phases and Mie's theory of gravity results in a Principle of Equivalence for Quantum Gravity

    E-Print Network [OSTI]

    E. P. J. de Haas

    2005-07-21T23:59:59.000Z

    Under a Lorentz-transformation, Mie's 1912 gravitational mass behaves identical as de Broglie's 1923 clock-like frequency. The same goes for Mie's inertial mass and de Broglie's wave-like frequency. This allows the interpretation of de Broglie's "Harmony of the Phases" as a "Principle of Equivalence" for Quantum Gravity. Thus, the particle-wave duality can be given a realist interpretation. The "Mie-de Broglie" interpretation suggests a correction of Hamilton's variational principle in the quantum domain. The equivalence of the masses can be seen as the classical "limit" of the quantum equivalence of the phases.

  16. Topics in quantum field theory 

    E-Print Network [OSTI]

    Kibble, T. W. B.

    1958-01-01T23:59:59.000Z

    The subject matter of this thesis falls into two distinct parts. Chapters II to IV are devoted to a discussion of Schwinger's action principle, and chapters V and VI are concerned with the proof of dispersion relations ...

  17. M5-brane defect and quantum Hall effect in AdS{sub 4}xN(1,1)/N=3 superconformal field theory

    SciTech Connect (OSTI)

    Fujita, Mitsutoshi [Department of Physics, Kyoto University, Kyoto 606-8502 (Japan)

    2011-05-15T23:59:59.000Z

    We study the d=11 gravity dual AdS{sub 4}xN(1,1) of the d=3 N=3 flavored Chern-Simons-matter theory. In the dual gravity side, we analyze the M5-brane filling AdS{sub 3} inside AdS{sub 4} and derive the quantized Hall conductivity of the dual gauge theory. In the gauge theory side, this M5-brane intersects the gauge theory at the codimension-one defect.

  18. Introduction to Renormalization in Field Theory

    E-Print Network [OSTI]

    Ling-Fong Li; Chongqing

    2012-08-23T23:59:59.000Z

    A simple introduction of renormalization in quantum field theory is discussed. Explanation of concepts is emphasized instead of the technical details.

  19. Noncommutative Cohomological Field Theory and GMS soliton

    E-Print Network [OSTI]

    Tomomi Ishikawa; Shin-Ichiro Kuroki; Akifumi Sako

    2001-09-15T23:59:59.000Z

    We show that it is possible to construct a quantum field theory that is invariant under the translation of the noncommutative parameter $\\theta_{\\mu\

  20. Who named the quantum defect?

    SciTech Connect (OSTI)

    Rau, A.R.P. [Louisiana State Univ., Baton Rouge, LA (United States). Dept. of Physics and Astronomy; Inokuti, M. [Argonne National Lab., IL (United States). Physics Div.

    1997-08-01T23:59:59.000Z

    The notion of the quantum defect is important in atomic and molecular spectroscopy and also in unifying spectroscopy with collision theory. In the latter context, the quantum defect may be viewed as an ancestor of the phase shift. However, the origin of the term quantum defect does not seem to be explained in standard textbooks. It occurred in a 1921 paper by Schroedinger, preceding quantum mechanics, yet giving the correct meaning as an index of the short-range interactions with the core of an atom. The authors present the early history of the quantum-defect idea, and sketch its recent developments.

  1. Subsystem real-time Time Dependent Density Functional Theory

    E-Print Network [OSTI]

    Krishtal, Alisa; Pavanello, Michele

    2015-01-01T23:59:59.000Z

    We present the extension of Frozen Density Embedding (FDE) theory to real-time Time Dependent Density Functional Theory (rt-TDDFT). FDE a is DFT-in-DFT embedding method that allows to partition a larger Kohn-Sham system into a set of smaller, coupled Kohn-Sham systems. Additional to the computational advantage, FDE provides physical insight into the properties of embedded systems and the coupling interactions between them. The extension to rt-TDDFT is done straightforwardly by evolving the Kohn-Sham subsystems in time simultaneously, while updating the embedding potential between the systems at every time step. Two main applications are presented: the explicit excitation energy transfer in real time between subsystems is demonstrated for the case of the Na$_4$ cluster and the effect of the embedding on optical spectra of coupled chromophores. In particular, the importance of including the full dynamic response in the embedding potential is demonstrated.

  2. Uncertainty Quantification and Propagation in Nuclear Density Functional Theory

    E-Print Network [OSTI]

    N. Schunck; J. D. McDonnell; D. Higdon; J. Sarich; S. M. Wild

    2015-03-19T23:59:59.000Z

    Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going efforts seek to better root nuclear DFT in the theory of nuclear forces [see Duguet et al., this issue], energy functionals remain semi-phenomenological constructions that depend on a set of parameters adjusted to experimental data in finite nuclei. In this paper, we review recent efforts to quantify the related uncertainties, and propagate them to model predictions. In particular, we cover the topics of parameter estimation for inverse problems, statistical analysis of model uncertainties and Bayesian inference methods. Illustrative examples are taken from the literature.

  3. Riemann surfaces with boundaries and the theory of vertex operator

    E-Print Network [OSTI]

    Huang, Yi-Zhi

    of quantum field theory. When a definition of quantum field theory is given mathematically, a wellRiemann surfaces with boundaries and the theory of vertex operator algebras Yi-Zhi Huang Abstract The connection between Riemann surfaces with boundaries and the theory of vertex operator algebras is discussed

  4. Three lectures on noncommutative field theories

    E-Print Network [OSTI]

    F. A. Schaposnik

    2004-08-18T23:59:59.000Z

    Classical and quantum aspects of noncommutative field theories are discussed. In particular, noncommutative solitons and instantons are constructed and also d=2,3 noncommutative fermion and bosonic (Wess-Zumino-Witten and Chern-Simons)theories are analyzed.

  5. Linear Quantum Feedback Networks

    E-Print Network [OSTI]

    J. Gough; R. Gohm; M. Yanagisawa

    2008-07-15T23:59:59.000Z

    The mathematical theory of quantum feedback networks has recently been developed for general open quantum dynamical systems interacting with bosonic input fields. In this article we show, for the special case of linear dynamical systems Markovian systems with instantaneous feedback connections, that the transfer functions can be deduced and agree with the algebraic rules obtained in the nonlinear case. Using these rules, we derive the the transfer functions for linear quantum systems in series, in cascade, and in feedback arrangements mediated by beam splitter devices.

  6. Mathematical quantization of Hamiltonian field theories

    E-Print Network [OSTI]

    A. V. Stoyanovsky

    2015-02-04T23:59:59.000Z

    We define the renormalized evolution operator of the Schr\\"odinger equation in the infinite dimensional Weyl-Moyal algebra during a time interval for a wide class of Hamiltonians depending on time. This leads to a mathematical definition of quantum field theory $S$-matrix and Green functions. We show that for renormalizable field theories, our theory yields the renormalized perturbation series of perturbative quantum field theory. All the results are based on the Feynman graph series technique.

  7. Strong reactions in quantum super PDEs. III: Exotic quantum supergravity

    E-Print Network [OSTI]

    Agostino Prástaro

    2015-03-10T23:59:59.000Z

    Following the previous two parts, of a work devoted to encode strong reaction dynamics in the A. Pr\\'astaro's algebraic topology of quantum super PDE's, nonlinear quantum propagators in the observed quantum super Yang-Mills PDE, $\\hat{(YM)}[i]$, are further characterized. In particular, nonlinear quantum propagators with non-zero defect quantum electric-charge, are interpreted as {\\em exotic-quantum supergravity} effects. As an application, the recently discovered bound-state called $Zc(3900)$, is obtained as a neutral quasi-particle, generated in a $Q$-quantum exotic supergravity process. {\\em Quantum entanglement} is justified by means of the algebraic topologic structure of nonlinear quantum propagators. Quantum Cheshire cats are considered as examples of quantum entanglements. Existence theorem for solutions of $\\hat{(YM)}[i]$ admitting negative local temperatures ({\\em quantum thermodynamic-exotic solutions}) is obtained too and related to quantum entanglement. Such exotic solutions are used to encode Universe at the Planck-epoch. It is proved that the Universe's expansion at the Planck epoch is justified by the fact that it is encoded by a nonlinear quantum propagator having thermodynamic quantum exotic components in its boundary. This effect produces also an increasing of energy in the Universe at the Einstein epoch: {\\em Planck-epoch-legacy} on the boundary of our Universe. This is the main source of the Universe's expansion and solves the problem of the non-apparent energy-matter ({\\em dark-energy-matter}) in the actual Universe. Breit-Wheeler-type processes have been proved in the framework of the Pr\\'astaro's algebraic topology of quantum super Yang-Mills PDEs. Numerical comparisons of nonlinear quantum propagators with Weinberg-Salam electroweak theory in Standard Model are given.

  8. Strong reactions in quantum super PDEs. III: Exotic quantum supergravity

    E-Print Network [OSTI]

    Agostino Prástaro

    2015-03-23T23:59:59.000Z

    Following the previous two parts, of a work devoted to encode strong reaction dynamics in the A. Pr\\'astaro's algebraic topology of quantum super PDE's, nonlinear quantum propagators in the observed quantum super Yang-Mills PDE, $\\hat{(YM)}[i]$, are further characterized. In particular, nonlinear quantum propagators with non-zero defect quantum electric-charge, are interpreted as {\\em exotic-quantum supergravity} effects. As an application, the recently discovered bound-state called $Zc(3900)$, is obtained as a neutral quasi-particle, generated in a $Q$-quantum exotic supergravity process. {\\em Quantum entanglement} is justified by means of the algebraic topologic structure of nonlinear quantum propagators. Quantum Cheshire cats are considered as examples of quantum entanglements. Existence theorem for solutions of $\\hat{(YM)}[i]$ admitting negative local temperatures ({\\em quantum thermodynamic-exotic solutions}) is obtained too and related to quantum entanglement. Such exotic solutions are used to encode Universe at the Planck-epoch. It is proved that the Universe's expansion at the Planck epoch is justified by the fact that it is encoded by a nonlinear quantum propagator having thermodynamic quantum exotic components in its boundary. This effect produces also an increasing of energy in the Universe at the Einstein epoch: {\\em Planck-epoch-legacy} on the boundary of our Universe. This is the main source of the Universe's expansion and solves the problem of the non-apparent energy-matter ({\\em dark-energy-matter}) in the actual Universe. Breit-Wheeler-type processes have been proved in the framework of the Pr\\'astaro's algebraic topology of quantum super Yang-Mills PDEs. Numerical comparisons of nonlinear quantum propagators with Weinberg-Salam electroweak theory in Standard Model are given.

  9. Strong reactions in quantum super PDEs. III: Exotic quantum supergravity

    E-Print Network [OSTI]

    Agostino Prástaro

    2015-02-01T23:59:59.000Z

    Following the previous two parts, of a work devoted to encode strong reaction dynamics in the A. Pr\\'astaro's algebraic topology of quantum super PDE's, nonlinear quantum propagators in the observed quantum super Yang-Mills PDE, $\\hat{(YM)}[i]$, are further characterized. In particular, nonlinear quantum propagators with non-zero defect quantum electric-charge, are interpreted as {\\em exotic-quantum supergravity} effects. As an application, the recently discovered bound-state called $Zc(3900)$, is obtained as a neutral quasi-particle, generated in a $Q$-quantum exotic supergravity process. {\\em Quantum entanglement} is justified by means of the algebraic topologic structure of nonlinear quantum propagators. Quantum Cheshire cats are considered as examples of quantum entanglements. Existence theorem for solutions of $\\hat{(YM)}[i]$ admitting negative local temperatures ({\\em quantum thermodynamic-exotic solutions}) is obtained too and related to quantum entanglement. Such exotic solutions are used to encode Universe at the Planck-epoch. It is proved that the Universe's expansion at the Planck epoch is justified by the fact that it is encoded by a nonlinear quantum propagator having thermodynamic quantum exotic components in its boundary. This effect produces also an increasing of energy in the Universe at the Einstein epoch: {\\em Planck-epoch-legacy} on the boundary of our Universe. This is the main source of the Universe's expansion and solves the problem of the non-apparent energy-matter ({\\em dark-energy-matter}) in the actual Universe. Breit-Wheeler-type processes have been proved in the framework of the Pr\\'astaro's algebraic topology of quantum super Yang-Mills PDEs. Numerical comparisons of nonlinear quantum propagators with Weinberg-Salam electroweak theory in Standard Model are given.

  10. Additivity of Entangled Channel Capacity for Quantum Input States

    E-Print Network [OSTI]

    V. P. Belavkin; X. Dai

    2007-02-10T23:59:59.000Z

    An elementary introduction into algebraic approach to unified quantum information theory and operational approach to quantum entanglement as generalized encoding is given. After introducing compound quantum state and two types of informational divergences, namely, Araki-Umegaki (a-type) and of Belavkin-Staszewski (b-type) quantum relative entropic information, this paper treats two types of quantum mutual information via entanglement and defines two types of corresponding quantum channel capacities as the supremum via the generalized encodings. It proves the additivity property of quantum channel capacities via entanglement, which extends the earlier results of V. P. Belavkin to products of arbitrary quantum channels for quantum relative entropy of any type.

  11. Density functional theory based generalized effective fragment potential method

    SciTech Connect (OSTI)

    Nguyen, Kiet A., E-mail: kiet.nguyen@wpafb.af.mil, E-mail: ruth.pachter@wpafb.af.mil [Air Force Research Laboratory, Wright-Patterson Air Force Base, Ohio 45433 (United States); UES, Inc., Dayton, Ohio 45432 (United States); Pachter, Ruth, E-mail: kiet.nguyen@wpafb.af.mil, E-mail: ruth.pachter@wpafb.af.mil [Air Force Research Laboratory, Wright-Patterson Air Force Base, Ohio 45433 (United States); Day, Paul N. [Air Force Research Laboratory, Wright-Patterson Air Force Base, Ohio 45433 (United States); General Dynamics Information Technology, Inc., Dayton, Ohio 45431 (United States)

    2014-06-28T23:59:59.000Z

    We present a generalized Kohn-Sham (KS) density functional theory (DFT) based effective fragment potential (EFP2-DFT) method for the treatment of solvent effects. Similar to the original Hartree-Fock (HF) based potential with fitted parameters for water (EFP1) and the generalized HF based potential (EFP2-HF), EFP2-DFT includes electrostatic, exchange-repulsion, polarization, and dispersion potentials, which are generated for a chosen DFT functional for a given isolated molecule. The method does not have fitted parameters, except for implicit parameters within a chosen functional and the dispersion correction to the potential. The electrostatic potential is modeled with a multipolar expansion at each atomic center and bond midpoint using Stone's distributed multipolar analysis. The exchange-repulsion potential between two fragments is composed of the overlap and kinetic energy integrals and the nondiagonal KS matrices in the localized molecular orbital basis. The polarization potential is derived from the static molecular polarizability. The dispersion potential includes the intermolecular D3 dispersion correction of Grimme et al. [J. Chem. Phys. 132, 154104 (2010)]. The potential generated from the CAMB3LYP functional has mean unsigned errors (MUEs) with respect to results from coupled cluster singles, doubles, and perturbative triples with a complete basis set limit (CCSD(T)/CBS) extrapolation, of 1.7, 2.2, 2.0, and 0.5 kcal/mol, for the S22, water-benzene clusters, water clusters, and n-alkane dimers benchmark sets, respectively. The corresponding EFP2-HF errors for the respective benchmarks are 2.41, 3.1, 1.8, and 2.5 kcal/mol. Thus, the new EFP2-DFT-D3 method with the CAMB3LYP functional provides comparable or improved results at lower computational cost and, therefore, extends the range of applicability of EFP2 to larger system sizes.

  12. Polymer Quantum Mechanics and its Continuum Limit

    E-Print Network [OSTI]

    Alejandro Corichi; Tatjana Vukasinac; Jose A. Zapata

    2007-08-22T23:59:59.000Z

    A rather non-standard quantum representation of the canonical commutation relations of quantum mechanics systems, known as the polymer representation has gained some attention in recent years, due to its possible relation with Planck scale physics. In particular, this approach has been followed in a symmetric sector of loop quantum gravity known as loop quantum cosmology. Here we explore different aspects of the relation between the ordinary Schroedinger theory and the polymer description. The paper has two parts. In the first one, we derive the polymer quantum mechanics starting from the ordinary Schroedinger theory and show that the polymer description arises as an appropriate limit. In the second part we consider the continuum limit of this theory, namely, the reverse process in which one starts from the discrete theory and tries to recover back the ordinary Schroedinger quantum mechanics. We consider several examples of interest, including the harmonic oscillator, the free particle and a simple cosmological model.

  13. How Does Ammonium Interact with Aromatic Groups? A Density Functional Theory (DFT/B3LYP) Investigation

    E-Print Network [OSTI]

    Sussman, Joel L.

    Taiyuan Road, Shanghai 200031, P. R. China, and Departments of Structural Biology and Neurobiology, NH4 + always tilts toward the carbon-carbon bond rather than toward the heteroatom or the carbon

  14. Multigrid solvers for quantum dynamics -a first look

    E-Print Network [OSTI]

    MacLachlan, Scott

    dynamics - a first look- p.8 #12;Perturbative Methods Early success in quantum field theory came from in quantum field theory came from asymptotic analysis Quantum Electrodynamics (QED) Predictions accurate of particle physics Describes interactions between quarks and gluons Consistent with particle accelerator

  15. Adsorption of small aromatic molecules on the ,,111... surfaces of noble metals: A density functional theory study with semiempirical corrections

    E-Print Network [OSTI]

    Pfeifer, Holger

    Adsorption of small aromatic molecules on the ,,111... surfaces of noble metals: A density 10 May 2010; published online 10 June 2010 The adsorption of benzene, thiophene, and pyridine on the 111 surface of gold and copper have been studied using density functional theory DFT . Adsorption

  16. A quantum of history

    E-Print Network [OSTI]

    Peter Holland

    2014-09-21T23:59:59.000Z

    With reference to primary sources it is shown that key claims made regarding the history of the pilot wave theory in Quantum Theory at the Crossroads are not supported by the historical record. It is also argued that the association of de Broglie with just a first-order law of particle motion, and Bohm with a second-order one, has no historical basis.

  17. Simulating chemistry using quantum computers

    E-Print Network [OSTI]

    Ivan Kassal; James D. Whitfield; Alejandro Perdomo-Ortiz; Man-Hong Yung; Alán Aspuru-Guzik

    2010-07-15T23:59:59.000Z

    The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors.

  18. A Foundation of Programming a Multi-Tape Quantum Turing machine

    E-Print Network [OSTI]

    Tomoyuki Yamakami

    1999-06-23T23:59:59.000Z

    The notion of quantum Turing machines is a basis of quantum complexity theory. We discuss a general model of multi-tape, multi-head Quantum Turing machines with multi final states that also allow tape heads to stay still.

  19. Quantum measurement and its role in thermodynamics

    E-Print Network [OSTI]

    Philipp Kammerlander; Janet Anders

    2015-02-09T23:59:59.000Z

    A central goal of the research effort in quantum thermodynamics is the extension of standard thermodynamics to include small-scale and quantum effects. Here we lay out consequences of seeing measurement, one of the central pillars of quantum theory, not merely as a mathematical projection but as a thermodynamic process. We uncover that measurement, a component of any experimental realisation, is accompanied by work and heat contributions and that these are distinct in classical and quantum thermodynamics. Implications are far-reaching, giving a thermodynamic interpretation to quantum coherence, extending the link between thermodynamics and information theory, and providing key input for the construction of a future quantum thermodynamic framework. Repercussions for existing quantum thermodynamic relations that omitted the role of measurement are discussed, including quantum work fluctuation relations and single-shot approaches.

  20. On the Interaction in Lattice Gauge Theory

    E-Print Network [OSTI]

    Bijan Sheikholeslami-Sabzevari; Hamideh Rahmati

    2010-11-14T23:59:59.000Z

    Haag's theorem states that if a quantum field theory is Lorentz invariant and irreducible, there is no interaction picture. But if we construct quantum field theory on a discrete lattice spacetime, its representation will be reducible and the interaction picture will be restored again.