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Sample records for theory dft quantum

  1. Quantum Optimal Control Theory

    E-Print Network [OSTI]

    G. H. Gadiyar

    1994-05-10

    The possibility of control of phenomena at microscopic level compatible with quantum mechanics and quantum field theory is outlined. The theory could be used in nanotechnology.

  2. Theory of melting at high pressures: Amending density functional theory with quantum Monte Carlo

    SciTech Connect (OSTI)

    Shulenburger, L.; Desjarlais, M. P.; Mattsson, T. R.

    2014-10-01

    We present an improved first-principles description of melting under pressure based on thermodynamic integration comparing Density Functional Theory (DFT) and quantum Monte Carlo (QMC) treatments of the system. The method is applied to address the longstanding discrepancy between density functional theory (DFT) calculations and diamond anvil cell (DAC) experiments on the melting curve of xenon, a noble gas solid where van der Waals binding is challenging for traditional DFT methods. The calculations show excellent agreement with data below 20 GPa and that the high-pressure melt curve is well described by a Lindemann behavior up to at least 80 GPa, a finding in stark contrast to DAC data.

  3. Topological quantum field theories

    E-Print Network [OSTI]

    Albert Schwarz

    2000-11-29

    Following my plenary lecture on ICMP2000 I review my results concerning two closely related topics: topological quantum field theories and the problem of quantization of gauge theories. I start with old results (first examples of topological quantum field theories were constructed in my papers in late seventies) and I come to some new results, that were not published yet.

  4. Ricci flow and quantum theory

    E-Print Network [OSTI]

    Robert Carroll

    2007-11-05

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

  5. Reverse Engineering Quantum Field Theory

    E-Print Network [OSTI]

    Robert Oeckl

    2012-10-02

    An approach to the foundations of quantum theory is advertised that proceeds by "reverse engineering" quantum field theory. As a concrete instance of this approach, the general boundary formulation of quantum theory is outlined.

  6. Quantum-Based Theories of Condensed Matter Emily A. Carter

    E-Print Network [OSTI]

    Simons, Jack

    , 2005 "Stainless steel optimization from DFT", Vitos et al., Nature: materials, 2002 "Interface between & Spin-Dependent Pseudopotential Theory for Open-Shell and Magnetic Systems - Materials Applications - Quantum-Based Multiscale Modeling of Materials For talk #1, thanks to: Dr. Vincent Cocula (COMSOL, Inc

  7. Ions in solution: Density corrected density functional theory (DC-DFT)

    SciTech Connect (OSTI)

    Kim, Min-Cheol; Sim, Eunji; Burke, Kieron

    2014-05-14

    Standard density functional approximations often give questionable results for odd-electron radical complexes, with the error typically attributed to self-interaction. In density corrected density functional theory (DC-DFT), certain classes of density functional theory calculations are significantly improved by using densities more accurate than the self-consistent densities. We discuss how to identify such cases, and how DC-DFT applies more generally. To illustrate, we calculate potential energy surfaces of HO·Cl{sup ?} and HO·H{sub 2}O complexes using various common approximate functionals, with and without this density correction. Commonly used approximations yield wrongly shaped surfaces and/or incorrect minima when calculated self consistently, while yielding almost identical shapes and minima when density corrected. This improvement is retained even in the presence of implicit solvent.

  8. Quantum Theory of Economics

    E-Print Network [OSTI]

    Vladimir I. Zverev; Alexander M. Tishin

    2009-01-29

    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

  9. Theory of melting at high pressures: Amending density functional theory with quantum Monte Carlo

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

    Shulenburger, L.; Desjarlais, M. P.; Mattsson, T. R.

    2014-10-01

    We present an improved first-principles description of melting under pressure based on thermodynamic integration comparing Density Functional Theory (DFT) and quantum Monte Carlo (QMC) treatments of the system. The method is applied to address the longstanding discrepancy between density functional theory (DFT) calculations and diamond anvil cell (DAC) experiments on the melting curve of xenon, a noble gas solid where van der Waals binding is challenging for traditional DFT methods. The calculations show excellent agreement with data below 20 GPa and that the high-pressure melt curve is well described by a Lindemann behavior up to at least 80 GPa, amore »finding in stark contrast to DAC data.« less

  10. Time machines and quantum theory

    E-Print Network [OSTI]

    Mark J Hadley

    2006-12-02

    There is a deep structural link between acausal spacetimes and quantum theory. As a consequence quantum theory may resolve some "paradoxes" of time travel. Conversely, non-time-orientable spacetimes naturally give rise to electric charges and spin half. If an explanation of quantum theory is possible, then general relativity with time travel could be it.

  11. Assessing the density functional theory-based multireference configuration interaction (DFT/MRCI) method for transition metal complexes

    SciTech Connect (OSTI)

    Escudero, Daniel E-mail: thiel@kofo.mpg.de; Thiel, Walter E-mail: thiel@kofo.mpg.de

    2014-05-21

    We report an assessment of the performance of density functional theory-based multireference configuration interaction (DFT/MRCI) calculations for a set of 3d- and 4d-transition metal (TM) complexes. The DFT/MRCI results are compared to published reference data from reliable high-level multi-configurational ab initio studies. The assessment covers the relative energies of different ground-state minima of the highly correlated CrF{sub 6} complex, the singlet and triplet electronically excited states of seven typical TM complexes (MnO{sub 4}{sup ?}, Cr(CO){sub 6}, [Fe(CN){sub 6}]{sup 4?}, four larger Fe and Ru complexes), and the corresponding electronic spectra (vertical excitation energies and oscillator strengths). It includes comparisons with results from different flavors of time-dependent DFT (TD-DFT) calculations using pure, hybrid, and long-range corrected functionals. The DFT/MRCI method is found to be superior to the tested TD-DFT approaches and is thus recommended for exploring the excited-state properties of TM complexes.

  12. Quantum Optimal Control Theory

    E-Print Network [OSTI]

    J. Werschnik; E. K. U. Gross

    2007-07-12

    The control of quantum dynamics via specially tailored laser pulses is a long-standing goal in physics and chemistry. Partly, this dream has come true, as sophisticated pulse shaping experiments allow to coherently control product ratios of chemical reactions. The theoretical design of the laser pulse to transfer an initial state to a given final state can be achieved with the help of quantum optimal control theory (QOCT). This tutorial provides an introduction to QOCT. It shows how the control equations defining such an optimal pulse follow from the variation of a properly defined functional. We explain the most successful schemes to solve these control equations and show how to incorporate additional constraints in the pulse design. The algorithms are then applied to simple quantum systems and the obtained pulses are analyzed. Besides the traditional final-time control methods, the tutorial also presents an algorithm and an example to handle time-dependent control targets.

  13. Quantum correlations, quantum resource theories and exclusion game

    E-Print Network [OSTI]

    Liu, Zi-Wen

    2015-01-01

    This thesis addresses two topics in quantum information theory. The first topic is quantum correlations and quantum resource theory. The second is quantum communication theory. The first part summarizes an ongoing work ...

  14. How Does Ammonium Interact with Aromatic Groups? A Density Functional Theory (DFT/B3LYP) Investigation

    E-Print Network [OSTI]

    Sussman, Joel L.

    %) of the total binding energy, while the NH4 + -aromatic hydrogen bond interaction has the largest electrostaticHow Does Ammonium Interact with Aromatic Groups? A Density Functional Theory (DFT/B3LYP heterocyclic-NH3 hydrogen bond complexes, and heterocyclic-NH4 + hydrogen bond complexes. For NH4 + - complexes

  15. Quantum Field Theory of Fluids

    E-Print Network [OSTI]

    Ben Gripaios; Dave Sutherland

    2015-04-23

    The quantum theory of fields is largely based on studying perturbations around non-interacting, or free, field theories, which correspond to a collection of quantum-mechanical harmonic oscillators. The quantum theory of an ordinary fluid is `freer', in the sense that the non-interacting theory also contains an infinite collection of quantum-mechanical free particles, corresponding to vortex modes. By computing a variety of correlation functions at tree- and loop-level, we give evidence that a quantum perfect fluid can be consistently formulated as a low-energy, effective field theory. We speculate that the quantum behaviour is radically different to both classical fluids and quantum fields, with interesting physical consequences for fluids in the low temperature regime.

  16. Role of exchange in density-functional theory for weakly interacting systems: Quantum Monte Carlo analysis of electron density and interaction energy

    E-Print Network [OSTI]

    Grossman, Jeffrey C.

    We analyze the density-functional theory (DFT) description of weak interactions by employing diffusion and reptation quantum Monte Carlo (QMC) calculations, for a set of benzene-molecule complexes. While the binding energies ...

  17. 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 #12;Does Anyone Understand Quantum Mechanics? "No One Understands Quantum Mechanics" "I think

  18. QUANTUM NOISE THEORY FOR THE dc SQUID

    E-Print Network [OSTI]

    Koch, Roger H.

    2013-01-01

    Letters LIBRARY AND QUANTUM NOISE THEORY FOR THE de SQUIDLetters LBL 11729 QUANTUM NOISE THEORY FOR THE de SQUIDCalifornia 94720 Abstract The noise temperature of a de

  19. Recoverability in quantum information theory

    E-Print Network [OSTI]

    Wilde, Mark M

    2015-01-01

    The fact that the quantum relative entropy is non-increasing with respect to quantum physical evolutions lies at the core of many optimality theorems in quantum information theory and has applications in other areas of physics. In this work, we establish improvements of this entropy inequality in the form of physically meaningful remainder terms. One of the main results can be summarized informally as follows: if the decrease in quantum relative entropy between two quantum states after a quantum physical evolution is relatively small, then it is possible to perform a recovery operation, such that one can perfectly recover one state while approximately recovering the other. This can be interpreted as quantifying how well one can reverse a quantum physical evolution. Our proof method is elementary, relying on the method of complex interpolation, basic linear algebra, and the recently introduced Renyi generalization of a relative entropy difference. The theorem has a number of applications in quantum information...

  20. Quantum Control Theory

    E-Print Network [OSTI]

    Matthew James

    2014-06-20

    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.

  1. Quantum Field Theory in Graphene

    E-Print Network [OSTI]

    I. V. Fialkovsky; D. V. Vassilevich

    2011-11-18

    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.

  2. Quantum Dots: Theory

    SciTech Connect (OSTI)

    Vukmirovic, Nenad; Wang, Lin-Wang

    2009-11-10

    This review covers the description of the methodologies typically used for the calculation of the electronic structure of self-assembled and colloidal quantum dots. These are illustrated by the results of their application to a selected set of physical effects in quantum dots.

  3. Quantum Discord and its Role in Quantum Information Theory

    E-Print Network [OSTI]

    Alexander Streltsov

    2014-11-12

    Quantum entanglement is the most popular kind of quantum correlations, and its fundamental role in several tasks in quantum information theory like quantum cryptography, quantum dense coding, and quantum teleportation is undeniable. However, recent results suggest that various applications in quantum information theory do not require entanglement, and that their performance can be captured by a new type of quantum correlations which goes beyond entanglement. Quantum discord, introduced by Zurek more than a decade ago, is the most popular candidate for such general quantum correlations. In this work we give an introduction to this modern research direction. After a short review of the main concepts of quantum theory and entanglement, we present quantum discord and general quantum correlations, and discuss three applications which are based on this new type of correlations: remote state preparation, entanglement distribution, and transmission of correlations. We also give an outlook to other research in this direction.

  4. Quantum Control and Representation Theory

    E-Print Network [OSTI]

    A. Ibort; J. M. Pérez-Pardo

    2012-03-11

    A new notion of controllability for quantum systems that takes advantage of the linear superposition of quantum states is introduced. We call such notion von Neumann controllabilty and it is shown that it is strictly weaker than the usual notion of pure state and operator controlability. We provide a simple and effective characterization of it by using tools from the theory of unitary representations of Lie groups. In this sense we are able to approach the problem of control of quantum states from a new perspective, that of the theory of unitary representations of Lie groups. A few examples of physical interest and the particular instances of compact and nilpotent dynamical Lie groups are discussed.

  5. Finite quantum gauge theories

    E-Print Network [OSTI]

    Modesto, Leonardo; Rachwal, Leslaw

    2015-01-01

    We explicitly compute the one-loop exact beta function for a nonlocal extension of the standard gauge theory, in particular Yang-Mills and QED. The theory, made of a weakly nonlocal kinetic term and a local potential of the gauge field, is unitary (ghost-free) and perturbatively super-renormalizable. Moreover, in the action we can always choose the potential (consisting of one "killer operator") to make zero the beta function of running gauge coupling constant. The outcome is "a UV finite theory for any gauge interaction". Our calculations are done in D=4, but the results can be generalized to even or odd spacetime dimensions. We compute the contribution to the beta function from two different killer operators by using two independent techniques, namely the Feynman diagrams and the Barvinsky-Vilkovisky traces. By making the theories finite we are able to solve also the Landau pole problems, in particular in QED. Without any potential the beta function of the one-loop super-renormalizable theory shows a univer...

  6. Finite quantum gauge theories

    E-Print Network [OSTI]

    Leonardo Modesto; Marco Piva; Leslaw Rachwal

    2015-06-20

    We explicitly compute the one-loop exact beta function for a nonlocal extension of the standard gauge theory, in particular Yang-Mills and QED. The theory, made of a weakly nonlocal kinetic term and a local potential of the gauge field, is unitary (ghost-free) and perturbatively super-renormalizable. Moreover, in the action we can always choose the potential (consisting of one "killer operator") to make zero the beta function of running gauge coupling constant. The outcome is "a UV finite theory for any gauge interaction". Our calculations are done in D=4, but the results can be generalized to even or odd spacetime dimensions. We compute the contribution to the beta function from two different killer operators by using two independent techniques, namely the Feynman diagrams and the Barvinsky-Vilkovisky traces. By making the theories finite we are able to solve also the Landau pole problems, in particular in QED. Without any potential the beta function of the one-loop super-renormalizable theory shows a universal Landau pole in the running coupling constant in the ultraviolet regime (UV), regardless of the specific higher-derivative structure. However, the dressed propagator shows neither the Landau pole in the UV, nor the singularities in the infrared regime (IR).

  7. Density functional theory and DFT+U study of transition metal porphines adsorbed on Au(111) surfaces and effects of applied electric fields

    E-Print Network [OSTI]

    Kevin Leung; Susan B. Rempe; Peter A. Schultz; Eduardo M. Sproviero; Victor S. Batista; Michael E. Chandross; Craig J. Medforth

    2006-10-26

    We apply Density Functional Theory (DFT) and the DFT+U technique to study the adsorption of transition metal porphine molecules on atomistically flat Au(111) surfaces. DFT calculations using the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional correctly predict the palladium porphine (PdP) low-spin ground state. PdP is found to adsorb preferentially on gold in a flat geometry, not in an edgewise geometry, in qualitative agreement with experiments on substituted porphyrins. It exhibits no covalent bonding to Au(111), and the binding energy is a small fraction of an eV. The DFT+U technique, parameterized to B3LYP predicted spin state ordering of the Mn d-electrons, is found to be crucial for reproducing the correct magnetic moment and geometry of the isolated manganese porphine (MnP) molecule. Adsorption of Mn(II)P on Au(111) substantially alters the Mn ion spin state. Its interaction with the gold substrate is stronger and more site-specific than PdP. The binding can be partially reversed by applying an electric potential, which leads to significant changes in the electronic and magnetic properties of adsorbed MnP, and ~ 0.1 Angstrom, changes in the Mn-nitrogen distances within the porphine macrocycle. We conjecture that this DFT+U approach may be a useful general method for modeling first row transition metal ion complexes in a condensed-matter setting.

  8. 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

    2015-06-29

    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.

  9. Quantum Information Processing Theory 1 Running head: QUANTUM INFORMATION PROCESSING THEORY

    E-Print Network [OSTI]

    Busemeyer, Jerome R.

    Quantum Information Processing Theory 1 Running head: QUANTUM INFORMATION PROCESSING THEORY Quantum, IN USA jstruebl@indiana.edu jbusemey@indiana.edu In D. Quinones (Ed.) Encyclopedia of the Sciences provides new conceptual tools for constructing social and behavioral science theories. Theoretical

  10. Quantum control theory and applications: A survey

    E-Print Network [OSTI]

    Daoyi Dong; Ian R Petersen

    2011-01-10

    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.

  11. The "Unromantic Pictures" of Quantum Theory

    E-Print Network [OSTI]

    Roderich Tumulka

    2006-07-18

    I am concerned with two views of quantum mechanics that John S. Bell called ``unromantic'': spontaneous wave function collapse and Bohmian mechanics. I discuss some of their merits and report about recent progress concerning extensions to quantum field theory and relativity. In the last section, I speculate about an extension of Bohmian mechanics to quantum gravity.

  12. On Quantum Computation Theory Wim van Dam

    E-Print Network [OSTI]

    Koolen, Marijn

    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

  13. Quantum communication, reference frames and gauge theory

    E-Print Network [OSTI]

    S. J. van Enk

    2006-04-26

    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.

  14. Microscopic theory of quantum anomalous Hall effect in graphene...

    Office of Scientific and Technical Information (OSTI)

    Microscopic theory of quantum anomalous Hall effect in graphene Prev Next Title: Microscopic theory of quantum anomalous Hall effect in graphene Authors: Qiao, Zhenhua ;...

  15. Computer Stochastics in Scalar Quantum Field Theory

    E-Print Network [OSTI]

    C. B. Lang

    1993-12-01

    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.

  16. An Accumulative Model for Quantum Theories

    E-Print Network [OSTI]

    Christopher Thron

    2015-06-06

    For a general quantum theory that is describable by a path integral formalism, we construct a mathematical model of an accumulation-to-threshold process whose outcomes give predictions that are nearly identical to the given quantum theory. The model is neither local nor causal in spacetime, but is both local and causal is in a non-observable path space. The probabilistic nature of the squared wavefunction is a natural consequence of the model. We verify the model with simulations, and we discuss possible discrepancies from conventional quantum theory that might be detectable via experiment. Finally, we discuss the physical implications of the model.

  17. Mathematical Aspects of Quantum Theory

    E-Print Network [OSTI]

    , Algeria Revised version: January 1, 2015 (This text is for personal use only) 1 #12;Acknowledgements Statistical Mechanics 3.1. The classical case 3.2. The quantum case 3.3. A second axiom system for quantum

  18. ##### 3 ## topological quantum field theory

    E-Print Network [OSTI]

    Kawahigashi, Yasuyuki

    ######### ## bimodule ##### #compact ### ############ ########## ####### # ## ############ ######## bimodule) ######## fusion algebra ###### ##### # # ### tensor ### ###### ########### #### ## level ## Wess-symbol ### ##### ######### ################## ###### Fusion algebra # quantum 6j-symbol #### ##### ####### ##### paragroup #### formulation

  19. Quantum-classical correspondence in response theory

    E-Print Network [OSTI]

    Kryvohuz, Maksym

    2008-01-01

    In this thesis, theoretical analysis of correspondence between classical and quantum dynamics is studied in the context of response theory. Thesis discusses the mathematical origin of time-divergence of classical response ...

  20. Quantum mechanics as a complete physical theory

    E-Print Network [OSTI]

    D. A. Slavnov

    2002-11-10

    We show that the principles of a ''complete physical theory'' and the conclusions of the standard quantum mechanics do not irreconcilably contradict each other as is commonly believed. In the algebraic approach, we formulate axioms that allow constructing a renewed mathematical scheme of quantum mechanics. This scheme involves the standard mathematical formalism of quantum mechanics. Simultaneously, it contains a mathematical object that adequately describes a single experiment. We give an example of the application of the proposed scheme.

  1. Quantum feedback control and classical control theory

    E-Print Network [OSTI]

    Andrew C. Doherty; Salman Habib; Kurt Jacobs; Hideo Mabuchi; Sze M. Tan

    2000-03-09

    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.

  2. The informationally-complete quantum theory

    E-Print Network [OSTI]

    Zeng-Bing Chen

    2015-05-25

    Quantum mechanics is a cornerstone of our current understanding of nature and extremely successful in describing physics covering a huge range of scales. However, its interpretation remains controversial for a long time, from the early days of quantum mechanics to nowadays. What does a quantum state really mean? Is there any way out of the so-called quantum measurement problem? Here we present an informationally-complete quantum theory (ICQT) and the trinary property of nature to beat the above problems. We assume that a quantum system's state provides an informationally-complete description of the system in the trinary picture. We give a consistent formalism of quantum theory that makes the informational completeness explicitly and argue that the conventional quantum mechanics is an approximation of the ICQT. We then show how our ICQT provides a coherent picture and fresh angle of some existing problems in physics. The computational content of our theory is uncovered by defining an informationally-complete quantum computer.

  3. 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

    2014-05-14

    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.

  4. Quantum Computation of Scattering in Scalar Quantum Field Theories

    E-Print Network [OSTI]

    Stephen P. Jordan; Keith S. M. Lee; John Preskill

    2011-12-20

    Quantum field theory provides the framework for the most fundamental physical theories to be confirmed experimentally, and has enabled predictions of unprecedented precision. However, calculations of physical observables often require great computational complexity and can generally be performed only when the interaction strength is weak. A full understanding of the foundations and rich consequences of quantum field theory remains an outstanding challenge. We develop a quantum algorithm to compute relativistic scattering amplitudes in massive phi-fourth theory in spacetime of four and fewer dimensions. The algorithm runs in a time that is polynomial in the number of particles, their energy, and the desired precision, and applies at both weak and strong coupling. Thus, it offers exponential speedup over existing classical methods at high precision or strong coupling.

  5. Density-functional approaches to non-bonding interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals

    SciTech Connect (OSTI)

    Burns, Lori A [ORNL; Sherrill, David [Georgia Institute of Technology; Vazquez-Mayagoitia, Alvaro [ORNL; Sumpter, Bobby G [ORNL

    2011-01-01

    A systematic study of techniques for treating non-covalent interactions within the computationally efficient density functional theory (DFT) framework is presented through comparison to benchmark-quality evaluations of binding strength com- piled for molecular complexes of diverse size and nature. In particular, the effi- cacy of functionals deliberately crafted to encompass long-range forces, a posteri- ori DFT+dispersion corrections (DFT-D2 and DFT-D3), and exchange-hole dipole moment (XDM) theory is assessed against a large collection (469 energy points) of reference interaction energies at the CCSD(T) level of theory extrapolated to the estimated complete basis set limit. The established S22 and JSCH test sets of minimum-energy structures, as well as collections of dispersion-bound (NBC10) and hydrogen-bonded (HBC6) dissociation curves and a pairwise decomposition of a protein-ligand reaction site (HSG), comprise the chemical systems for this work. From evaluations of accuracy, consistency, and efficiency for PBE-D, BP86-D, B97-D, PBE0-D, B3LYP-D, B970-D, M05-2X, M06-2X, B97X-D, B2PLYP-D, XYG3, and B3LYP-XDM methodologies, it is concluded that distinct, often contrasting, groups of these elicit the best performance within the accessible double- or robust triple- basis set regimes and among hydrogen-bonded or dispersion-dominated complexes. For overall results, M05-2X, B97-D3, and B970-D2 yield superior values in conjunc- tion with aug-cc-pVDZ, for a mean absolute deviation of 0.41 0.49 kcal/mol, and B3LYP-D3, B97-D3, B97X-D, and B2PLYP-D3 dominate with aug-cc-pVTZ, af- fording, together with XYG3/6-311+G(3df,2p), a mean absolute deviation of 0.33 0.38 kcal/mol.

  6. Quantum simulation of quantum field theory using continuous variables

    E-Print Network [OSTI]

    Kevin Marshall; Raphael Pooser; George Siopsis; Christian Weedbrook

    2015-03-27

    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.

  7. Quantum field theory as eigenvalue problem

    E-Print Network [OSTI]

    Arnold Neumaier

    2003-03-10

    A mathematically well-defined, manifestly covariant theory of classical and quantum field is given, based on Euclidean Poisson algebras and a generalization of the Ehrenfest equation, which implies the stationary action principle. The theory opens a constructive spectral approach to finding physical states both in relativistic quantum field theories and for flexible phenomenological few-particle approximations. In particular, we obtain a Lorentz-covariant phenomenological multiparticle quantum dynamics for electromagnetic and gravitational interaction which provides a representation of the Poincare group without negative energy states. The dynamics reduces in the nonrelativistic limit to the traditional Hamiltonian multiparticle description with standard Newton and Coulomb forces. The key that allows us to overcome the traditional problems in canonical quantization is the fact that we use the algebra of linear operators on a space of wave functions slightly bigger than traditional Fock spaces.

  8. A Kinetic Theory Approach to Quantum Gravity

    E-Print Network [OSTI]

    B. L. Hu

    2002-04-22

    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).

  9. 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

  10. 8.324 Quantum Field Theory II, Fall 2002

    E-Print Network [OSTI]

    Hanany, Amihay

    Second semester of a three-semester subject sequence on quantum field theory stressing the relativistic quantum field theories relevant to the physics of the Standard Model. Develops in depth some of the topics discussed ...

  11. Quantum field theory of relic nonequilibrium systems

    E-Print Network [OSTI]

    Nicolas G. Underwood; Antony Valentini

    2014-11-14

    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.

  12. Canonical quantum potential scattering theory

    E-Print Network [OSTI]

    M. S. Hussein; W. Li; S. Wuester

    2008-07-13

    A new formulation of potential scattering in quantum mechanics is developed using a close structural analogy between partial waves and the classical dynamics of many non-interacting fields. Using a canonical formalism we find non-linear first-order differential equations for the low energy scattering parameters like scattering length and effective range. They significantly simplify typical calculations, as we illustrate for atom-atom and neutron-nucleus scattering systems. A generalization to charged particle scattering is also possible.

  13. Quantum Cellular Automaton Theory of Light Alessandro Bisio,

    E-Print Network [OSTI]

    D'Ariano, Giacomo Mauro

    Quantum Cellular Automaton Theory of Light Alessandro Bisio, Giacomo Mauro D'Ariano, and Paolo on quantum cellular automata (QCA). This approach allows us to have a thorough quantum theory of free. INTRODUCTION The Quantum Cellular Automaton (QCA) is the quan- tum version of the popular cellular automaton

  14. Duality, Mechanical Wave Theory, New Quantum Operators and Nonlinear Equations in Quantum Theory

    E-Print Network [OSTI]

    Yi-Fang Chang

    2010-08-17

    Various dualities are summarized. Based on the universal wave-particle duality, along an opposite direction of the developed quantum mechanics, we use a method where the wave quantities frequency and wave length are replaced on various mechanical equations, and may be derive some new results. It is called the mechanical wave theory. From this we derive new operators which represent more physical quantities. Further, we propose some nonlinear equations and their solutions, which may be probably applied to quantum theory.

  15. Quantum theory of dispersive electromagnetic modes P. D. Drummond

    E-Print Network [OSTI]

    Queensland, University of

    Quantum theory of dispersive electromagnetic modes P. D. Drummond Department of Physics proposals--have the character of fundamental tests of the quantum theory of interacting fields 7 Received 15 June 1998 A quantum theory of dispersion for an inhomogeneous solid is obtained, from

  16. 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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass mapSpeedingProgramExemptionsProteinTotalSciTech Connect Conference:Quantum

  17. Measurement theory in local quantum physics

    E-Print Network [OSTI]

    Kazuya Okamura; Masanao Ozawa

    2015-04-24

    In this paper, we aim at establishing measurement theory in local quantum physics. For this purpose, we discuss a representation theory of completely positive (CP) instruments. We introduce a condition called the normal extension property (NEP) and establish a one-to-one correspondence between CP instruments with NEP and statistical equivalence classes of measuring processes. We further explore a class of CP instruments having measuring processes approximately by the notion of injectivity of von Neumann algebras. The existence problem of a family of a posteriori states is discussed and it is shown that NEP is equivalent to the existence of a strongly measurable family of a posteriori states for every normal state. Moreover, two examples of CP instruments without NEP are given. To conclude the paper, local measurements in algebraic quantum field theory are developed.

  18. Natural Philosophy and Quantum Theory

    E-Print Network [OSTI]

    Thomas Marlow

    2006-10-25

    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.

  19. Atomic and Molecular Quantum Theory Course Number: C561 26 Group Theory Basics

    E-Print Network [OSTI]

    Iyengar, Srinivasan S.

    Atomic and Molecular Quantum Theory Course Number: C561 26 Group Theory Basics 1. Reference: "Group Theory and Quantum Mechanics" by Michael Tinkham. 2. We said earlier that we will go looking for the set, Indiana University 266 c 2003, Srinivasan S. Iyengar (instructor) #12;Atomic and Molecular Quantum Theory

  20. Quantum theory of light double-slit diffraction

    E-Print Network [OSTI]

    Xiang-Yao Wu; Hong Li; Bo-Jun Zhang; Ji Ma; Xiao-Jing Liu; Nuo Ba; He Dong; Si-Qi Zhang; Jing Wang; Yi-Heng Wu; Xin-Guo Yin

    2013-05-10

    In this paper, we study the light double-slit diffraction experiment with quantum theory approach. Firstly, we calculate the light wave function in slits by quantum theory of photon. Secondly, we calculate the diffraction wave function with Kirchhoff's law. Thirdly, we give the diffraction intensity of light double-slit diffraction, which is proportional to the square of diffraction wave function. Finally, we compare calculation result of quantum theory and classical electromagnetic theory with the experimental data. We find the quantum calculate result is accordance with the experiment data, and the classical calculation result with certain deviation. So, the quantum theory is more accurately approach for studying light diffraction.

  1. Real homotopy theory and supersymmetric quantum mechanics

    E-Print Network [OSTI]

    Hyungrok Kim; Ingmar Saberi

    2015-11-03

    In the context of studying string backgrounds, much work has been devoted to the question of how similar a general quantum field theory (specifically, a two-dimensional superconformal theory) is to a sigma model. Put differently, one would like to know how well or poorly one can understand the physics of string backgrounds in terms of concepts of classical geometry. Much attention has also been given of late to the question of how geometry can be encoded in a microscopic physical description that makes no explicit reference to space and time. We revisit the first question, and review both well-known and less well-known results about geometry and sigma models from the perspective of dimensional reduction to supersymmetric quantum mechanics. The consequences of arising as the dimensional reduction of a $d$-dimensional theory for the resulting quantum mechanics are explored. In this context, we reinterpret the minimal models of rational (more precisely, complex) homotopy theory as certain supersymmetric Fock spaces, with unusual actions of the supercharges. The data of the Massey products appear naturally as supersymmetric vacuum states that are entangled between different degrees of freedom. This connection between entanglement and geometry is, as far as we know, not well-known to physicists. In addition, we take note of an intriguing numerical coincidence in the context of string compactification on hyper-Kahler eight-manifolds.

  2. Real World Interpretations of Quantum Theory

    E-Print Network [OSTI]

    Adrian Kent

    2011-11-03

    I propose a new class of interpretations, {\\it real world interpretations}, of the quantum theory of closed systems. These interpretations postulate a preferred factorization of Hilbert space and preferred projective measurements on one factor. They give a mathematical characterisation of the different possible worlds arising in an evolving closed quantum system, in which each possible world corresponds to a (generally mixed) evolving quantum state. In a realistic model, the states corresponding to different worlds should be expected to tend towards orthogonality as different possible quasiclassical structures emerge or as measurement-like interactions produce different classical outcomes. However, as the worlds have a precise mathematical definition, real world interpretations need no definition of quasiclassicality, measurement, or other concepts whose imprecision is problematic in other interpretational approaches. It is natural to postulate that precisely one world is chosen randomly, using the natural probability distribution, as the world realised in Nature, and that this world's mathematical characterisation is a complete description of reality.

  3. Contradictions of the quantum scattering theory

    E-Print Network [OSTI]

    V. K. Ignatovich

    2006-01-23

    The standard scattering theory (SST) in non relativistic quantum mechanics (QM) is analyzed. Self-contradictions of SST are deconstructed. A direct way to calculate scattering probability without introduction of a finite volume is discussed. Substantiation of SST in textbooks with the help of wave packets is shown to be incomplete. A complete theory of wave packets scattering on a fixed center is presented, and its similarity to the plane wave scattering is demonstrated. The neutron scattering on a monatomic gas is investigated, and several problems are pointed out. A catastrophic ambiguity of the cross section is revealed, and a way to resolve this ambiguity is discussed.

  4. New Quantum Theory of Laser Cooling Mechanisms

    E-Print Network [OSTI]

    Xiang-Yao Wu; Bai-Jun Zhang; Jing-Hai Yang Xiao-Jing Liu; Yi-Heng Wu; Qing-Cai Wang; Yan Wang; Nuo Ba; Guang-Huai Wang

    2012-12-01

    In this paper, we study the laser cooling mechanisms with a new quantum theory approach by applying a new Schrodinger equation, which can describe a particle in conservative and non-conservative force field. With the new theory, we prove the atom in laser field can be cooled, and give the atom cooling temperature, which is accordance with experiment result. Otherwise, we give new prediction that the atom cooling temperature is directly proportional to the atom vibration frequency. By calculation, we find they are: $T=0.4334\\omega$.

  5. The Statistical Theory of Quantum Dots

    E-Print Network [OSTI]

    Y. Alhassid

    2001-02-15

    A quantum dot is a sub-micron-scale conducting device containing up to several thousand electrons. Transport through a quantum dot at low temperatures is a quantum-coherent process. This review focuses on dots in which the electron's dynamics are chaotic or diffusive, giving rise to statistical properties that reflect the interplay between one-body chaos, quantum interference, and electron-electron interactions. The conductance through such dots displays mesoscopic fluctuations as a function of gate voltage, magnetic field, and shape deformation. The techniques used to describe these fluctuations include semiclassical methods, random-matrix theory, and the supersymmetric nonlinear $\\sigma$ model. In open dots, the approximation of noninteracting quasiparticles is justified, and electron-electron interactions contribute indirectly through their effect on the dephasing time at finite temperature. In almost-closed dots, where conductance occurs by tunneling, the charge on the dot is quantized, and electron-electron interactions play an important role. Transport is dominated by Coulomb blockade, leading to peaks in the conductance that at low temperatures provide information on the dot's ground-state properties. Several statistical signatures of electron-electron interactions have been identified, most notably in the dot's addition spectrum. The dot's spin, determined partly by exchange interactions, can also influence the fluctuation properties of the conductance. Other mesoscopic phenomena in quantum dots that are affected by the charging energy include the fluctuations of the cotunneling conductance and mesoscopic Coulomb blockade.

  6. Heisenberg-picture quantum field theory

    E-Print Network [OSTI]

    Theo Johnson-Freyd

    2015-08-24

    This paper discusses what we should mean by "Heisenberg-picture quantum field theory." Atiyah--Segal-type axioms do a good job of capturing the "Schr\\"odinger picture": these axioms define a "$d$-dimensional quantum field theory" to be a symmetric monoidal functor from an $(\\infty,d)$-category of "spacetimes" to an $(\\infty,d)$-category which at the second-from-top level consists of vector spaces, so at the top level consists of numbers. This paper argues that the appropriate parallel notion "Heisenberg picture" should also be defined in terms of symmetric monoidal functors from the category of spacetimes, but the target should be an $(\\infty,d)$-category that in top dimension consists of pointed vector spaces instead of numbers; the second-from-top level can be taken to consist of associative algebras or of pointed categories. The paper ends by outlining two sources of such Heisenberg-picture field theories: factorization algebras and skein theory.

  7. Quantum chaos and perturbation theory: from the analysis of wavefunctions

    E-Print Network [OSTI]

    Cohen, Doron

    Quantum chaos and perturbation theory: from the analysis of wavefunctions to the implications? Quantum chaos! How to use this expression? The bare Kubo formula gives no dissipation! To define an energy

  8. Scattering Theory for Open Quantum Systems

    E-Print Network [OSTI]

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

    2006-10-31

    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.

  9. Maxwell-Garnett effective medium theory: Quantum nonlocal effects

    SciTech Connect (OSTI)

    Moradi, Afshin

    2015-04-15

    We develop the Maxwell-Garnett theory for the effective medium approximation of composite materials with metallic nanoparticles by taking into account the quantum spatial dispersion effects in dielectric response of nanoparticles. We derive a quantum nonlocal generalization of the standard Maxwell-Garnett formula, by means the linearized quantum hydrodynamic theory in conjunction with the Poisson equation as well as the appropriate additional quantum boundary conditions.

  10. Open quantum systems and Random Matrix Theory

    E-Print Network [OSTI]

    Declan Mulhall

    2015-01-09

    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.

  11. Self-interaction-free density-functional theoretical study of the electronic structure of spherical and vertical quantum dots

    E-Print Network [OSTI]

    Jiang, T. F.; Tong, Xiao-Min; Chu, Shih-I

    2001-01-09

    We study the electronic structure and shell-filling effects of both spherical and vertical quantum dots by means of the density functional theory (DFT) with optimized effective potential (OEP) and self-interaction-correction (SIC) recently developed...

  12. Coordinating quantum agents' perspectives: convex operational theories, quantum information, and quantum foundations

    E-Print Network [OSTI]

    Howard Barnum

    2006-11-10

    In this paper, I propose a project of enlisting quantum information science as a source of task-oriented axioms for use in the investigation of operational theories in a general framework capable of encompassing quantum mechanics, classical theory, and more. Whatever else they may be, quantum states of systems are compendia of probabilities for the outcomes of possible operations we may perform on the systems: ``operational theories.'' I discuss appropriate general frameworks for such theories, in which convexity plays a key role. Such frameworks are appropriate for investigating what things look like from an ``inside view,'' i.e. for describing perspectival information that one subsystem of the world can have about another. Understanding how such views can combine, and whether an overall ``geometric'' picture (``outside view'') coordinating them all can be had, even if this picture is very different in nature from the structure of the perspectives within it, is the key to understanding whether we may be able to achieve a unified, ``objective'' physical view in which quantum mechanics is the appropriate description for certain perspectives, or whether quantum mechanics is truly telling us we must go beyond this ``geometric'' conception of physics. The nature of information, its flow and processing, as seen from various operational persepectives, is likely to be key to understanding whether and how such coordination and unification can be achieved.

  13. Driven Morse oscillator: Classical chaos, quantum theory, and photodissociation

    SciTech Connect (OSTI)

    Goggin, M.E.; Milonni, P.W.

    1988-02-01

    We compare the classical and quantum theories of a Morse oscillator driven by a sinusoidal field, focusing attention on multiple-photon excitation and dissociation. In both the classical and quantum theories the threshold field strength for dissociation may be estimated fairly accurately on the basis of classical resonance overlap, and the classical and quantum results for the threshold are in good agreement except near higher-order classical resonances and quantum multiphoton resonances. We discuss the possibility of ''quantum chaos'' in such driven molecular systems and use the Morse oscillator to test the manifestations of classical resonance overlap suggested semiclassically.

  14. Toy Model for a Relational Formulation of Quantum Theory

    E-Print Network [OSTI]

    David Poulin

    2005-07-07

    In the absence of an external frame of reference physical degrees of freedom must describe relations between systems. Using a simple model, we investigate how such a relational quantum theory naturally arises by promoting reference systems to the status of dynamical entities. Our goal is to demonstrate using elementary quantum theory how any quantum mechanical experiment admits a purely relational description at a fundamental level, from which the original "non-relational" theory emerges in a semi-classical limit. According to this thesis, the non-relational theory is therefore an approximation of the fundamental relational theory. We propose four simple rules that can be used to translate an "orthodox" quantum mechanical description into a relational description, independent of an external spacial reference frame or clock. The techniques used to construct these relational theories are motivated by a Bayesian approach to quantum mechanics, and rely on the noiseless subsystem method of quantum information science used to protect quantum states against undesired noise. The relational theory naturally predicts a fundamental decoherence mechanism, so an arrow of time emerges from a time-symmetric theory. Moreover, there is no need for a "collapse of the wave packet" in our model: the probability interpretation is only applied to diagonal density operators. Finally, the physical states of the relational theory can be described in terms of "spin networks" introduced by Penrose as a combinatorial description of geometry, and widely studied in the loop formulation of quantum gravity. Thus, our simple bottom-up approach (starting from the semi-classical limit to derive the fully relational quantum theory) may offer interesting insights on the low energy limit of quantum gravity.

  15. Depicting qudit quantum mechanics and mutually unbiased qudit theories

    E-Print Network [OSTI]

    André Ranchin

    2014-12-30

    We generalize the ZX calculus to quantum systems of dimension higher than two. The resulting calculus is sound and universal for quantum mechanics. We define the notion of a mutually unbiased qudit theory and study two particular instances of these theories in detail: qudit stabilizer quantum mechanics and Spekkens-Schreiber toy theory for dits. The calculus allows us to analyze the structure of qudit stabilizer quantum mechanics and provides a geometrical picture of qudit stabilizer theory using D-toruses, which generalizes the Bloch sphere picture for qubit stabilizer quantum mechanics. We also use our framework to describe generalizations of Spekkens toy theory to higher dimensional systems. This gives a novel proof that qudit stabilizer quantum mechanics and Spekkens-Schreiber toy theory for dits are operationally equivalent in three dimensions. The qudit pictorial calculus is a useful tool to study quantum foundations, understand the relationship between qubit and qudit quantum mechanics, and provide a novel, high level description of quantum information protocols.

  16. Quantum Walks and discrete Gauge Theories

    E-Print Network [OSTI]

    Pablo Arnault; Fabrice Debbasch

    2015-10-19

    A particular example is produced to prove that quantum walks can be used to simulate full-fledged discrete gauge theories. A new family of $(1 + 2)$-dimensional walks is introduced and its continuous limit is shown to coincide with the dynamics of a Dirac fermion coupled to arbitrary electromagnetic fields. The electromagnetic interpretation is extended beyond the continuous limit by proving that these DTQWs exhibit an exact discrete local $U(1)$ gauge invariance and possess a discrete gauge-invariant conserved current. A discrete gauge-invariant electromagnetic field is also constructed and that field is coupled to the conserved current by a discrete generalization of Maxwell equations. The dynamics of the DTQWs under crossed electric and magnetic fields is finally explored outside the continuous limit by numerical simulations. Bloch oscillations and the so-called ${\\bf E} \\times {\\bf B}$ drift are recovered in the weak-field limit. Localization is observed for some values of the gauge fields.

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

    E-Print Network [OSTI]

    Paola Zizzi

    2011-04-13

    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.

  18. Preference reversal in quantum decision theory

    E-Print Network [OSTI]

    V. I. Yukalov; D. Sornette

    2015-10-08

    We consider the psychological effect of preference reversal and show that it finds a natural explanation in the frame of quantum decision theory. When people choose between lotteries with non-negative payoffs, they prefer a more certain lottery because of uncertainty aversion. But when people evaluate lottery prices, e.g. for selling to others the right to play them, they do this more rationally, being less subject to behavioral biases. This difference can be explained by the presence of the attraction factors entering the expression of quantum probabilities. Only the existence of attraction factors can explain why, considering two lotteries with close utility factors, a decision maker prefers one of them when choosing, but evaluates higher the other one when pricing. We derive a general quantitative criterion for the preference reversal to occur that relates the utilities of the two lotteries to the attraction factors under choosing versus pricing and test successfully its application on experiments by Tversky et al. We also show that the planning paradox can be treated as a kind of preference reversal.

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

    E-Print Network [OSTI]

    Christopher Ferrie

    2011-10-15

    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.

  20. Quantum mechanics emerges from information theory applied to causal horizons

    E-Print Network [OSTI]

    Jae-Weon Lee

    2011-02-28

    It is suggested that quantum mechanics is not fundamental but emerges from classical information theory applied to causal horizons. The path integral quantization and quantum randomness can be derived by considering information loss of fields or particles crossing Rindler horizons for accelerating observers. This implies that information is one of the fundamental roots of all physical phenomena. The connection between this theory and Verlinde's entropic gravity theory is also investigated.

  1. Quantum mechanics emerges from information theory applied to causal horizons

    E-Print Network [OSTI]

    Lee, Jae-Weon

    2010-01-01

    It is suggested that quantum mechanics is not fundamental but emerges from information theory applied to a causal horizon. The path integral quantization and quantum randomness can be derived by considering information loss of fields or particles crossing Rindler horizons for accelerating observers. This implies that information is one of the fundamental root of all physical phenomena. The connection between this theory and Verlinde's entropic gravity theory is also investigated.

  2. 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

    2012-04-02

    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 fieldmore »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.« less

  3. Fusion using time-dependent density-constrained DFT

    E-Print Network [OSTI]

    R. Keser; A. S. Umar; V. E. Oberacker; J. A. Maruhn; P. -G. Reinhard

    2014-02-06

    We present results for calculating fusion cross-sections using a new microscopic approach based on a time-dependent density-constrained DFT calculations. The theory is implemented by using densities and other information obtained from TDDFT time-evolution of the nuclear system as constraint on the density for DFT calculations.

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

    E-Print Network [OSTI]

    B. Schlittgen; U. -J. Wiese

    2000-12-11

    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.

  5. Quantum Hall systems Representation theory of vertex operator algebras Applications The end Quantum Hall states and the representation

    E-Print Network [OSTI]

    Huang, Yi-Zhi

    Quantum Hall systems Representation theory of vertex operator algebras Applications The end Quantum Science, CAS #12;Quantum Hall systems Representation theory of vertex operator algebras Applications to a fundamental conjecture #12;Quantum Hall systems Representation theory of vertex operator algebras Applications

  6. Quantum Hall systems Representation theory of vertex operator algebras Applications The end Quantum Hall states and the representation

    E-Print Network [OSTI]

    Huang, Yi-Zhi

    Quantum Hall systems Representation theory of vertex operator algebras Applications The end Quantum;Quantum Hall systems Representation theory of vertex operator algebras Applications The end Outline 1 An approach to a fundamental conjecture #12;Quantum Hall systems Representation theory of vertex operator

  7. 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)

    2014-02-15

    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.

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

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

    Ultracold Atoms: How Quantum Field Theory Invaded Atomic Physics Eric Braaten Ohio State University May 6, 2015 4:00 p.m. (coffee @ 3:30) The development of the technology for...

  9. Brane Dynamics and Four-Dimensional Quantum Field Theory

    E-Print Network [OSTI]

    N. D. Lambert; P. C. West

    1998-11-19

    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.

  10. Distinguishing decoherence from alternative quantum theories by dynamical decoupling

    E-Print Network [OSTI]

    Christian Arenz; Robin Hillier; Martin Fraas; Daniel Burgarth

    2015-08-03

    A longstanding challenge in the foundations of quantum mechanics is the veri?cation of alternative collapse theories despite their mathematical similarity to decoherence. To this end, we suggest a novel method based on dynamical decoupling. Experimental observation of nonzero saturation of the decoupling error in the limit of fast decoupling operations can provide evidence for alternative quantum theories. As part of the analysis we prove that unbounded Hamiltonians can always be decoupled, and provide novel dilations of Lindbladians.

  11. 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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformationJessework uses concrete7 Assessment ofLana7,MimickingTheMiniDFT MiniDFT

  12. 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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformationJessework uses concrete7 Assessment ofLana7,MimickingTheMiniDFT MiniDFTMiniDFT

  13. 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 ...

  14. Statistical theory of Coulomb blockade oscillations: Quantum chaos in quantum dots

    SciTech Connect (OSTI)

    Jalabert, R.A.; Stone, A.D.; Alhassid, Y. (Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, Connecticut 06511 (United States))

    1992-06-08

    We develop a statistical theory of the amplitude of Coulomb blockade oscillations in semiconductor quantum dots based on the hypothesis that chaotic dynamics in the dot potential leads to behavior described by random-matrix theory. Breaking time-reversal symmetry is predicted to cause an experimentally observable change in the distribution of amplitudes. The theory is tested numerically and good agreement is found.

  15. The Madelung Picture as a Foundation of Geometric Quantum Theory

    E-Print Network [OSTI]

    Maik Reddiger

    2015-09-01

    Despite its age quantum theory remains ill-understood, which is partially to blame on its deep interwovenness with the mysterious concept of quantization. In this article we argue that a quantum theory recoursing to quantization algorithms is necessarily incomplete. To provide a new axiomatic foundation, we give a rigorous proof showing how the Schr\\"odinger equation follows from the Madelung equations, which are formulated in the language of Newtonian mechanics. We show how the Schr\\"odinger picture relates to this Madelung picture and how the "classical limit" is directly obtained. This suggests a reformulation of the correspondence principle, stating that a quantum theory must reduce to a probabilistic version of Newtonian mechanics for large masses. We then enhance the stochastic interpretation developed by Tsekov, which speculates that quantum mechanical behavior is caused by random vibrations in spacetime. A new, yet incomplete model of particle creation and annihilation is also proposed.

  16. The Madelung Picture as a Foundation of Geometric Quantum Theory

    E-Print Network [OSTI]

    Maik Reddiger

    2015-10-01

    Despite its age quantum theory remains ill-understood, which is partially to blame on its deep interwovenness with the mysterious concept of quantization. In this article we argue that a quantum theory recoursing to quantization algorithms is necessarily incomplete. To provide a new axiomatic foundation, we give a rigorous proof showing how the Schr\\"odinger equation follows from the Madelung equations, which are formulated in the language of Newtonian mechanics. We show how the Schr\\"odinger picture relates to this Madelung picture and how the "classical limit" is directly obtained. This suggests a reformulation of the correspondence principle, stating that a quantum theory must reduce to a probabilistic version of Newtonian mechanics for large masses. We then enhance the stochastic interpretation developed by Tsekov, which speculates that quantum mechanical behavior is caused by random vibrations in spacetime. A new, yet incomplete model of particle creation and annihilation is also proposed.

  17. The quantum systems control and the optimal control theory

    E-Print Network [OSTI]

    V. F. Krotov

    2008-05-22

    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.

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

    E-Print Network [OSTI]

    Wojciech Roga

    2011-10-03

    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.

  19. A Lagrangian-Driven Cellular Automaton Supporting Quantum Field Theory

    E-Print Network [OSTI]

    Hans H. Diel

    2015-08-23

    Models of areas of physics in terms of cellular automata have become increasingly popular. Cellular automata (CAs) support the modeling of systems with discrete state component values and enforce the comprehensive specification of the dynamic evolution of such systems. Because many areas of physics can be described by starting with a specific Lagrangian, the idea to derive a cellular automaton directly from the Lagrangian (or similar construct, such as the Hamiltonian or action) is not new. Previous work, however, indicated that the classical CA may not be a sufficient basis for the modeling of more advanced physics theories, such as quantum field theory. Specifically, the modeling of interactions in quantum field theory requires extensions and modifications of the classical CA. This paper describes a proposal for an extended cellular automaton that is suited for support of quantum field theory.

  20. A Lagrangian-Driven Cellular Automaton Supporting Quantum Field Theory

    E-Print Network [OSTI]

    Diel, Hans H

    2015-01-01

    Models of areas of physics in terms of cellular automata have become increasingly popular. Cellular automata (CAs) support the modeling of systems with discrete state component values and enforce the comprehensive specification of the dynamic evolution of such systems. Because many areas of physics can be described by starting with a specific Lagrangian, the idea to derive a cellular automaton directly from the Lagrangian (or similar construct, such as the Hamiltonian or action) is not new. Previous work, however, indicated that the classical CA may not be a sufficient basis for the modeling of more advanced physics theories, such as quantum field theory. Specifically, the modeling of interactions in quantum field theory requires extensions and modifications of the classical CA. This paper describes a proposal for an extended cellular automaton that is suited for support of quantum field theory.

  1. Quantum Theory for Cold Avalanche Ionization in Solids

    SciTech Connect (OSTI)

    Deng, H. X.; Zu, X. T.; Xiang, X.; Sun, K.

    2010-09-10

    A theory of photon-assisted impact ionization in solids is presented. Our theory makes a quantum description of the new impact ionization--cold avalanche ionization recently reported by P. P. Rajeev, M. Gertsvolf, P. B. Corkum, and D. M. Rayner [Phys. Rev. Lett. 102, 083001 (2009)]. The present theory agrees with the experiments and can be reduced to the traditional impact ionization expression in the absence of a laser.

  2. Superconducting quantum circuits theory and application

    E-Print Network [OSTI]

    Deng, Xiuhao

    2015-01-01

    viii General theory of Superconducting cavity coupled to2.4 Decoherence in superconductingProposed circuit for superconducting qubits . . . . .

  3. Theory of Quantum Oscillations in Cuprate Superconductors

    E-Print Network [OSTI]

    Eun, Jonghyoun

    2012-01-01

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

  4. On Hypercomplex Extensions of Quantum Theory

    E-Print Network [OSTI]

    Daniel Sepunaru

    2015-01-23

    This paper discusses quantum mechanical schemas for describing waves with non-abelian phases, Fock spaces of annihilation-creation operators for these structures, and the Feynman recipe for obtaining descriptions of particle interactions with external fields.

  5. Introduction to quantum field theory exhibiting interaction

    E-Print Network [OSTI]

    Glenn Eric Johnson

    2015-02-28

    This note is an introduction to methods of construction for Hilbert space realizations of relativistic quantum physics. The realizations satisfy a revision to Wightman's functional analytic axioms and exhibit interaction in physical spacetimes. The local commutativity, relativistic invariance, positive energy and Hilbert space realization axioms are satisfied. The revision eliminates conjecture that a real quantum field is necessarily a Hermitian Hilbert space operator. The resulting explicit scattering cross sections coincide with the first contributing order from Feynman series for a neutral scalar field.

  6. Invariant Set Theory and the Symbolism of Quantum Measurement

    E-Print Network [OSTI]

    T. N. Palmer

    2015-02-24

    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.

  7. Full Quantum Theory of ${C_{60}}$ Double-slit Diffraction

    E-Print Network [OSTI]

    Xiang-Yao Wu; Ji Ma; Bo-Jun Zhang; Hong Li; Xiao-Jing Liu; Nuo Ba; Si-Qi Zhang; Jing Wang; He Dong; Xin-Guo Yin

    2013-05-10

    In this paper, we apply the full new method of quantum theory to study the double-slit diffraction of ${C_{60}}$ molecules. We calculate the double-slit wave functions of ${C_{60}}$ molecules by Schr\\"{o}dinger equation, and calculate the diffraction wave function behind the slits with the Feynman path integral quantum theory, and then give the relation between the diffraction intensity of double-slit and diffraction pattern position. We compare the calculation results with two different double-slit diffraction experiments. When the decoherence effects are considered, the calculation results are in good agreement with the two experimental data.

  8. Quantum chaos and regularity in $?^4$ theory

    E-Print Network [OSTI]

    Helmut Kroeger; Xiang-Qian Luo; Harald Markum; Rainer Pullirsch

    2003-09-15

    We check the eigenvalue spectrum of the $\\Phi^{4}_{1+1}$ Hamiltonian against Poisson or Wigner behavior predicted from random matrix theory. We discuss random matrix theory as a tool to discriminate the validity of a model Hamiltonian compared to an analytically solvable Hamiltonian or experimental data.

  9. Book Review Statistical Structure of Quantum Theory

    E-Print Network [OSTI]

    Fuchs, Christopher A.

    associated with measurement processes, including measurements with a continuous number of outcomes and commutation relations, tensor products, no-go theorems for hidden variables, and symmetry operations and a detailed exposition of quantum dynamical semigroups. Chapters 4 and 5, "Repeated and Continuous Measurement

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

    E-Print Network [OSTI]

    T. D. Martin

    2004-07-20

    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.

  11. Propagation of uncertainties in the nuclear DFT models

    E-Print Network [OSTI]

    Markus Kortelainen

    2014-09-04

    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.

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

    E-Print Network [OSTI]

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

    2014-12-02

    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.

  13. Converting Classical Theories to Quantum Theories by Solutions of the Hamilton-Jacobi Equation

    E-Print Network [OSTI]

    Zhi-Qiang Guo; Ivan Schmidt

    2012-08-03

    By employing special solutions of the Hamilton-Jacobi equation and tools from lattice theories, we suggest an approach to convert classical theories to quantum theories for mechanics and field theories. Some nontrivial results are obtained for a gauge field and a fermion field. For a topologically massive gauge theory, we can obtain a first order Lagrangian with mass term. For the fermion field, in order to make our approach feasible, we supplement the conventional Lagrangian with a surface term. This surface term can also produce the massive term for the fermion.

  14. Lorentz symmetry breaking as a quantum field theory regulator

    E-Print Network [OSTI]

    Visser, Matt

    2009-01-01

    Perturbative expansions of relativistic quantum field theories typically contain ultraviolet 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. We shall explore the features of a Lorentz symmetry breaking regulator in a simple polynomial scalar field theory, and discuss its implications. We shall quantify just "how much" Lorentz symmetry breaking is required to fully regulate the 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 [arXiv:0901.3775 [hep-th

  15. Scheme independence as an inherent redundancy in quantum field theory

    E-Print Network [OSTI]

    Jose I. Latorre; Tim R. Morris

    2001-02-07

    The path integral formulation of Quantum Field Theory implies an infinite set of local, Schwinger-Dyson-like relations. Exact renormalization group equations can be cast as a particular instance of these relations. Furthermore, exact scheme independence is turned into a vector field transformation of the kernel of the exact renormalization group equation under field redefinitions.

  16. Category of trees in representation theory of quantum algebras

    SciTech Connect (OSTI)

    Moskaliuk, N. M.; Moskaliuk, S. S.

    2013-10-15

    New applications of categorical methods are connected with new additional structures on categories. One of such structures in representation theory of quantum algebras, the category of Kuznetsov-Smorodinsky-Vilenkin-Smirnov (KSVS) trees, is constructed, whose objects are finite rooted KSVS trees and morphisms generated by the transition from a KSVS tree to another one.

  17. Localization and diffusion in polymer quantum field theory

    E-Print Network [OSTI]

    Michele Arzano; Marco Letizia

    2014-08-13

    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.

  18. Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: using density functional theory to accelerate wavefunction methods

    E-Print Network [OSTI]

    Kapil, Venkat; Ceriotti, Michele

    2015-01-01

    The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious approximations. Even though recent developments have significantly reduced the overhead for modelling the quantum nature of the nuclei, the cost is still prohibitive when combined with advanced electronic structure methods. Here we present how multiple time step integrators can be combined with ring-polymer contraction techniques (effectively, multiple time stepping in imaginary time) to reduce virtually to zero the overhead of modelling nuclear quantum effects, while describing inter-atomic forces at high levels of electronic structure theory. This is demonstrated for a combination of MP2 and semi-local DFT applied to the Zundel cation. The approach can be seamlessly combined with other methods to reduce the computational cost of path integral calculations, such as high-order fac...

  19. N=2 supersymmetric gauge theories and quantum integrable systems

    E-Print Network [OSTI]

    Yuan Luo; Meng-Chwan Tan; Junya Yagi

    2014-04-01

    We study N=2 supersymmetric gauge theories on the product of a two-sphere and a cylinder. We show that the low-energy dynamics of a BPS sector of such a theory is described by a quantum integrable system, with the Planck constant set by the inverse of the radius of the sphere. If the sphere is replaced with a hemisphere, then our system reduces to an integrable system of the type studied by Nekrasov and Shatashvili. In this case we establish a correspondence between the effective prepotential of the gauge theory and the Yang-Yang function of the integrable system.

  20. A Finite Quantum Gravity Field Theory Model

    E-Print Network [OSTI]

    Jorge Alfaro; Pablo González; Ricardo Avila

    2011-09-22

    We discuss the quantization of Delta gravity, a two symmetric tensors model of gravity. This model, in Cosmology, shows accelerated expansion without a cosmological constant. We present the $\\tilde{\\delta}$ transformation which defines the geometry of the model. Then we show that all delta type models live at one loop only. We apply this to General Relativity and we calculate the one loop divergent part of the Effective Action showing its null contribution in vacuum, implying a finite model. Then we proceed to study the existence of ghosts in the model. Finally, we study the form of the finite quantum corrections to the classical action of the model.

  1. Quantum theory and Einstein's general relativity

    SciTech Connect (OSTI)

    v. Borzeszkowski, H.; Treder, H.

    1982-11-01

    We dicusss the meaning and prove the accordance of general relativity, wave mechanics, and the quantization of Einstein's gravitation equations themselves. Firstly, we have the problem of the influence of gravitational fields on the de Broglie waves, which influence is in accordance with Einstein's weak principle of equivalence and the limitation of measurements given by Heisenberg's uncertainty relations. Secondly, the quantization of the gravitational fields is a ''quantization of geometry.'' However, classical and quantum gravitation have the same physical meaning according to limitations of measurements given by Einstein's strong principle of equivalence and the Heisenberg uncertainties for the mechanics of test bodies.

  2. Quantum Control: Approach based on Scattering Theory for Non-commutative Markov Chains and Multivariate Operator Theory

    E-Print Network [OSTI]

    Gohm, Rolf

    Quantum Control: Approach based on Scattering Theory for Non-commutative Markov Chains Theory to problems in the rapidly developing interdisciplinary field of Quantum Control. The proposal control. 1 Introduction Modern control theory has frequently used concepts and results from abstract

  3. Application of Generalized Quantum Hydrodynamics In the Theory of Quantum Soliton's Evolution, Atom Structure and Lightning Ball

    E-Print Network [OSTI]

    Alexeev, Boris V

    2008-01-01

    Quantum solitons are discovered with the help of generalized quantum hydrodynamics (GQH). The solitons have the character of the stable quantum objects in the self consistent electric field. These effects can be considered as explanation of the existence of lightning balls. The delivered theory demonstrates the great possibilities of the generalized quantum hydrodynamics in investigation of the quantum solitons. The paper can be considered also as comments and prolongation of the materials published in the known author`s monograph (Boris V. Alexeev, Generalized Boltzmann Physical Kinetics. Elsevier. 2004). The theory leads to solitons as typical formations in the generalized quantum hydrodynamics. Key words: Foundations of the theory of transport processes; The theory of solitons; Generalized hydrodynamic equations; Foundations of quantum mechanics; The theory of lightning balls. PACS: 67.55.Fa, 67.55.Hc

  4. The paleoclassical interpretation of quantum theory

    E-Print Network [OSTI]

    I. Schmelzer

    2015-06-30

    This interpretation establishes a completely classical ontology -- only the classical trajectory in configuration space -- and interprets the wave function as describing incomplete information (in form of a probability flow) about this trajectory. This combines basic ideas of de Broglie-Bohm theory and Nelsonian stochastics about the trajectory with a Bayesian interpretation of the wave function. Various objections are considered and discussed. In particular a regularity principle for the zeros of the wave function allows to meet the Wallstrom objection.

  5. Towards a Quantum Theory of Solitons

    E-Print Network [OSTI]

    Dvali, Gia; Gruending, Lukas; Rug, Tehseen

    2015-01-01

    We formulate a quantum coherent state picture for topological and non-topological solitons. We recognize that the topological charge arises from the infinite occupation number of zero momentum quanta flowing in one direction. Thus, the Noether charge of microscopic constituents gives rise to a topological charge in the macroscopic description. This fact explains the conservation of topological charge from the basic properties of coherent states. It also shows that no such conservation exists for non-topological solitons, which have finite mean occupation number. Consequently, they can have an exponentially-small but non-zero overlap with the vacuum, leading to vacuum instability. This amplitude can be interpreted as a coherent state description of false vacuum decay. Next we show that we can represent topological solitons as a convolution of two sectors that carry information about topology and energy separately, which makes their difference very transparent. Finally, we show how interaction among the soliton...

  6. Quantum optimal control theory in the linear response formalism

    SciTech Connect (OSTI)

    Castro, Alberto; Tokatly, I. V. [Institute for Biocomputation and Physics of Complex Systems (BIFI) and Zaragoza Center for Advanced Modelling (ZCAM), University of Zaragoza, ES-50009 Zaragoza (Spain); Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Departamento de Fisica de Materiales, Universidad del Pais Vasco UPV/EHU, ES-20018 San Sebastian, Spain and (Spain); IKERBASQUE, Basque Foundation for Science, ES-48011 Bilbao (Spain)

    2011-09-15

    Quantum optimal control theory (QOCT) aims at finding an external field that drives a quantum system in such a way that optimally achieves some predefined target. In practice, this normally means optimizing the value of some observable, a so-called merit function. In consequence, a key part of the theory is a set of equations, which provides the gradient of the merit function with respect to parameters that control the shape of the driving field. We show that these equations can be straightforwardly derived using the standard linear response theory, only requiring a minor generalization: the unperturbed Hamiltonian is allowed to be time dependent. As a result, the aforementioned gradients are identified with certain response functions. This identification leads to a natural reformulation of QOCT in terms of the Keldysh contour formalism of the quantum many-body theory. In particular, the gradients of the merit function can be calculated using the diagrammatic technique for nonequilibrium Green's functions, which should be helpful in the application of QOCT to computationally difficult many-electron problems.

  7. Optimal Control Theory for Continuous Variable Quantum Gates

    E-Print Network [OSTI]

    Rebing Wu; Raj Chakrabarti; Herschel Rabitz

    2007-08-16

    We apply the methodology of optimal control theory to the problem of implementing quantum gates in continuous variable systems with quadratic Hamiltonians. We demonstrate that it is possible to define a fidelity measure for continuous variable (CV) gate optimization that is devoid of traps, such that the search for optimal control fields using local algorithms will not be hindered. The optimal control of several quantum computing gates, as well as that of algorithms composed of these primitives, is investigated using several typical physical models and compared for discrete and continuous quantum systems. Numerical simulations indicate that the optimization of generic CV quantum gates is inherently more expensive than that of generic discrete variable quantum gates, and that the exact-time controllability of CV systems plays an important role in determining the maximum achievable gate fidelity. The resulting optimal control fields typically display more complicated Fourier spectra that suggest a richer variety of possible control mechanisms. Moreover, the ability to control interactions between qunits is important for delimiting the total control fluence. The comparative ability of current experimental protocols to implement such time-dependent controls may help determine which physical incarnations of CV quantum information processing will be the easiest to implement with optimal fidelity.

  8. Relative Entropy and Proximity of Quantum Field Theories

    E-Print Network [OSTI]

    Vijay Balasubramanian; Jonathan J. Heckman; Alexander Maloney

    2015-05-07

    We study the question of how reliably one can distinguish two quantum field theories (QFTs). Each QFT defines a probability distribution on the space of fields. The relative entropy provides a notion of proximity between these distributions and quantifies the number of measurements required to distinguish between them. In the case of nearby conformal field theories, this reduces to the Zamolodchikov metric on the space of couplings. Our formulation quantifies the information lost under renormalization group flow from the UV to the IR and leads us to a quantification of fine-tuning. This formalism also leads us to a criterion for distinguishability of low energy effective field theories generated by the string theory landscape.

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

    SciTech Connect (OSTI)

    Despoja, Vito

    2011-05-15

    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.

  10. Cosmological Applications of Algebraic Quantum Field Theory in Curved Spacetimes

    E-Print Network [OSTI]

    Hack, Thomas-Paul

    2015-01-01

    This monograph provides a largely self--contained and broadly accessible exposition of two cosmological applications of algebraic quantum field theory (QFT) in curved spacetime: a fundamental analysis of the cosmological evolution according to the Standard Model of Cosmology and a fundamental study of the perturbations in Inflation. The two central sections of the book dealing with these applications are preceded by sections containing a pedagogical introduction to the subject as well as introductory material on the construction of linear QFTs on general curved spacetimes with and without gauge symmetry in the algebraic approach, physically meaningful quantum states on general curved spacetimes, and the backreaction of quantum fields in curved spacetimes via the semiclassical Einstein equation. The target reader should have a basic understanding of General Relativity and QFT on Minkowski spacetime, but does not need to have a background in QFT on curved spacetimes or the algebraic approach to QFT. In particul...

  11. Information theory of quantum systems with some hydrogenic applications

    E-Print Network [OSTI]

    J. S. Dehesa; D. Manzano; P. S. Sánchez-Moreno; R. J. Yáñez

    2010-09-14

    The information-theoretic representation of quantum systems, which complements the familiar energy description of the density-functional and wave-function-based theories, is here discussed. According to it, the internal disorder of the quantum-mechanical non-relativistic systems can be quantified by various single (Fisher information, Shannon entropy) and composite (e.g. Cramer-Rao, LMC shape and Fisher-Shannon complexity) functionals of the Schr\\"odinger probability density. First, we examine these concepts and its application to quantum systems with central potentials. Then, we calculate these measures for hydrogenic systems, emphasizing their predictive power for various physical phenomena. Finally, some recent open problems are pointed out.

  12. The quantum character of physical fields. Foundations of field theories

    E-Print Network [OSTI]

    L. I. Petrova

    2006-03-15

    The existing field theories are based on the properties of closed exterior forms, which are invariant ones and correspond to conservation laws for physical fields. Hence, to understand the foundations of field theories and their unity, one has to know how such closed exterior forms are obtained. In the present paper it is shown that closed exterior forms corresponding to field theories are obtained from the equations modelling conservation (balance)laws for material media. It has been developed the evolutionary method that enables one to describe the process of obtaining closed exterior forms. The process of obtaining closed exterior forms discloses the mechanism of evolutionary processes in material media and shows that material media generate, discretely, the physical structures, from which the physical fields are formed. This justifies the quantum character of field theories. On the other hand, this process demonstrates the connection between field theories and the equations for material media and points to the fact that the foundations of field theories must be conditioned by the properties of material media. It is shown that the external and internal symmetries of field theories are conditioned by the degrees of freedom of material media. The classification parameter of physical fields and interactions, that is, the parameter of the unified field theory, is connected with the number of noncommutative balance conservation laws for material media.

  13. Quantum tomography meets dynamical systems and bifurcations theory

    SciTech Connect (OSTI)

    Goyeneche, D.; Torre, A. C. de la

    2014-06-01

    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. Loop Quantum Theory Applied to Biology and Nonlinear Whole Biology

    E-Print Network [OSTI]

    Yi-Fang Chang

    2008-01-02

    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.

  15. Nonlinear Dynamics of Quantum Systems and Soliton Theory

    E-Print Network [OSTI]

    Eldad Bettelheim; Alexander G. Abanov; Paul Wiegmann

    2006-10-26

    We show that space-time evolution of one-dimensional fermionic systems is described by nonlinear equations of soliton theory. We identify a space-time dependence of a matrix element of fermionic systems related to the {\\it Orthogonality Catastrophe} or {boundary states} with the $\\tau$-function of the modified KP-hierarchy. The established relation allows to apply the apparatus of soliton theory to the study of non-linear aspects of quantum dynamics. We also describe a {\\it bosonization in momentum space} - a representation of a fermion operator by a Bose field in the presence of a boundary state.

  16. The Hamilton-Jacobi Theory, Quantum Mechanics and General Relativity

    E-Print Network [OSTI]

    B. G. Sidharth

    2005-10-12

    The Hamilton-Jacobi theory of Classical Mechanics can be extended in a novel manner to systems which are fuzzy in the sense that they can be represented by wave functions. A constructive interference of the phases of the wave functions then gives us back Classical systems. In a suitable description this includes both Quantum Theory and General Relativity in the well known superspace formulation. However, there are several nuances which provide insight into these latter systems. All this is considered in this paper together with suitable generalization, to cascades of super universes.

  17. Algebraic constructive quantum field theory: Integrable models and deformation techniques

    E-Print Network [OSTI]

    Gandalf Lechner

    2015-03-12

    Several related operator-algebraic constructions for quantum field theory models on Minkowski spacetime are reviewed. The common theme of these constructions is that of a Borchers triple, capturing the structure of observables localized in a Rindler wedge. After reviewing the abstract setting, we discuss in this framework i) the construction of free field theories from standard pairs, ii) the inverse scattering construction of integrable QFT models on two-dimensional Minkowski space, and iii) the warped convolution deformation of QFT models in arbitrary dimension, inspired from non-commutative Minkowski space.

  18. Two-dimensional Lattice Gauge Theories with Superconducting Quantum Circuits

    E-Print Network [OSTI]

    D. Marcos; P. Widmer; E. Rico; M. Hafezi; P. Rabl; U. -J. Wiese; P. Zoller

    2014-10-26

    A quantum simulator of U(1) lattice gauge theories can be implemented with superconducting circuits. This allows the investigation of confined and deconfined phases in quantum link models, and of valence bond solid and spin liquid phases in quantum dimer models. Fractionalized confining strings and the real-time dynamics of quantum phase transitions are accessible as well. Here we show how state-of-the-art superconducting technology allows us to simulate these phenomena in relatively small circuit lattices. By exploiting the strong non-linear couplings between quantized excitations emerging when superconducting qubits are coupled, we show how to engineer gauge invariant Hamiltonians, including ring-exchange and four-body Ising interactions. We demonstrate that, despite decoherence and disorder effects, minimal circuit instances allow us to investigate properties such as the dynamics of electric flux strings, signaling confinement in gauge invariant field theories. The experimental realization of these models in larger superconducting circuits could address open questions beyond current computational capability.

  19. Two-dimensional lattice gauge theories with superconducting quantum circuits

    SciTech Connect (OSTI)

    Marcos, D.; Widmer, P.; Rico, E.; Hafezi, M.; Rabl, P.; Wiese, U.-J.; Zoller, P.

    2014-12-15

    A quantum simulator of U(1) lattice gauge theories can be implemented with superconducting circuits. This allows the investigation of confined and deconfined phases in quantum link models, and of valence bond solid and spin liquid phases in quantum dimer models. Fractionalized confining strings and the real-time dynamics of quantum phase transitions are accessible as well. Here we show how state-of-the-art superconducting technology allows us to simulate these phenomena in relatively small circuit lattices. By exploiting the strong non-linear couplings between quantized excitations emerging when superconducting qubits are coupled, we show how to engineer gauge invariant Hamiltonians, including ring-exchange and four-body Ising interactions. We demonstrate that, despite decoherence and disorder effects, minimal circuit instances allow us to investigate properties such as the dynamics of electric flux strings, signaling confinement in gauge invariant field theories. The experimental realization of these models in larger superconducting circuits could address open questions beyond current computational capability.

  20. Nambu-Goldstone Effective Theory of Information at Quantum Criticality

    E-Print Network [OSTI]

    Gia Dvali; Andre Franca; Cesar Gomez; Nico Wintergerst

    2015-07-10

    We establish a fundamental connection between quantum criticality of a many-body system, such as Bose-Einstein condensates, and its capacity of information-storage and processing. For deriving the effective theory of modes in the vicinity of the quantum critical point we develop a new method by mapping a Bose-Einstein condensate of $N$-particles onto a sigma model with a continuous global (pseudo)symmetry that mixes bosons of different momenta. The Bogolyubov modes of the condensate are mapped onto the Goldstone modes of the sigma model, which become gapless at the critical point. These gapless Goldstone modes are the quantum carriers of information and entropy. Analyzing their effective theory, we observe the information-processing properties strikingly similar to the ones predicted by the black hole portrait. The energy cost per qubit of information-storage vanishes in the large-$N$ limit and the total information-storage capacity increases with $N$ either exponentially or as a power law. The longevity of information-storage also increases with $N$, whereas the scrambling time in the over-critical regime is controlled by the Lyapunov exponent and scales logarithmically with $N$. This connection reveals that the origin of black hole information storage lies in the quantum criticality of the graviton Bose-gas, and that much simpler systems that can be manufactured in table-top experiments can exhibit very similar information-processing dynamics.

  1. Test Functions Space in Noncommutative Quantum Field Theory

    E-Print Network [OSTI]

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

    2008-07-26

    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.

  2. Four Dimensional Quantum Yang-Mills Theory and Mass Gap

    E-Print Network [OSTI]

    Simone Farinelli

    2015-07-17

    A quantization procedure for the Yang-Mills equations for the Minkowski space $\\mathbf{R}^{1,3}$ is carried out in such a way that field maps satisfying Wightman's axioms of Constructive Quantum Field Theory can be obtained. Moreover, the spectrum of the corresponding Hamilton operator is proven to be positive and bounded away from zero except for the case of the vacuum state which has vanishing energy level. The particles corresponding to all solution fields are bosons.

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

    E-Print Network [OSTI]

    Felix M. Lev

    2015-01-07

    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.

  4. Infinite Quantum Group Symmetry of Fields in Massive 2D Quantum Field Theory

    E-Print Network [OSTI]

    A. LeCLair; F. Smirnov

    1991-08-20

    Starting from a given S-matrix of an integrable quantum field theory in $1+1$ dimensions, and knowledge of its on-shell quantum group symmetries, we describe how to extend the symmetry to the space of fields. This is accomplished by introducing an adjoint action of the symmetry generators on fields, and specifying the form factors of descendents. The braiding relations of quantum field multiplets is shown to be given by the universal $\\CR$-matrix. We develop in some detail the case of infinite dimensional Yangian symmetry. We show that the quantum double of the Yangian is a Hopf algebra deformation of a level zero Kac-Moody algebra that preserves its finite dimensional Lie subalgebra. The fields form infinite dimensional Verma-module representations; in particular the energy-momentum tensor and isotopic current are in the same multiplet.

  5. 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.

    2010-03-19

    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.

  6. Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description

    SciTech Connect (OSTI)

    Berardo, Enrico; Hu, Hanshi; Shevlin, S. A.; Woodley, Scott M.; Kowalski, Karol; Zwijnenburg, Martijn A.

    2014-03-11

    We have investigated the suitability of Time-Dependent Density Functional Theory (TD-DFT) to describe vertical low-energy excitations in naked and hydrated titanium dioxide nanoparticles through a comparison with results from Equation-of-Motion Coupled Cluster (EOM-CC) quantum chemistry methods. We demonstrate that for most TiO2 nanoparticles TD-DFT calculations with commonly used exchange-correlation (XC-)potentials (e.g. B3LYP) and EOM-CC methods give qualitatively similar results. Importantly, however, we also show that for an important subset of structures, TD-DFT gives qualitatively different results depending upon the XC-potential used and that in this case only TD-CAM-B3LYP and TD-BHLYP calculations yield results that are consistent with those obtained using EOM-CC theory. Moreover, we demonstrate that the discrepancies for such structures arise from a particular combination of defects, excitations involving which are charge-transfer excitations and hence are poorly described by XC-potentials that contain no or low fractions of Hartree-Fock like exchange. Finally, we discuss that such defects are readily healed in the presence of ubiquitously present water and that as a result the description of vertical low-energy excitations for hydrated TiO2 nanoparticles is hence non-problematic.

  7. Multi-time wave functions for quantum field theory

    SciTech Connect (OSTI)

    Petrat, Sören; Tumulka, Roderich

    2014-06-15

    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.

  8. Spin from defects in two-dimensional quantum field theory

    E-Print Network [OSTI]

    Sebastian Novak; Ingo Runkel

    2015-06-24

    We build two-dimensional quantum field theories on spin surfaces starting from theories on oriented surfaces with networks of topological defect lines and junctions. The construction uses a combinatorial description of the spin structure in terms of a triangulation equipped with extra data. The amplitude for the spin surfaces is defined to be the amplitude for the underlying oriented surface together with a defect network dual to the triangulation. Independence of the triangulation and of the other choices follows if the line defect and junctions are obtained from a Delta-separable Frobenius algebra with involutive Nakayama automorphism in the monoidal category of topological defects. For rational conformal field theory we can give a more explicit description of the defect category, and we work out two examples related to free fermions in detail: the Ising model and the so(n) WZW model at level 1.

  9. Spin from defects in two-dimensional quantum field theory

    E-Print Network [OSTI]

    Novak, Sebastian

    2015-01-01

    We build two-dimensional quantum field theories on spin surfaces starting from theories on oriented surfaces with networks of topological defect lines and junctions. The construction uses a combinatorial description of the spin structure in terms of a triangulation equipped with extra data. The amplitude for the spin surfaces is defined to be the amplitude for the underlying oriented surface together with a defect network dual to the triangulation. Independence of the triangulation and of the other choices follows if the line defect and junctions are obtained from a Delta-separable Frobenius algebra with involutive Nakayama automorphism in the monoidal category of topological defects. For rational conformal field theory we can give a more explicit description of the defect category, and we work out two examples related to free fermions in detail: the Ising model and the so(n) WZW model at level 1.

  10. Finite Temperature Dynamical Correlations in Massive Integrable Quantum Field Theories

    E-Print Network [OSTI]

    F. H. L. Essler; R. M. Konik

    2009-10-07

    We consider the finite-temperature frequency and momentum dependent two-point functions of local operators in integrable quantum field theories. We focus on the case where the zero temperature correlation function is dominated by a delta-function line arising from the coherent propagation of single particle modes. Our specific examples are the two-point function of spin fields in the disordered phase of the quantum Ising and the O(3) nonlinear sigma models. We employ a Lehmann representation in terms of the known exact zero-temperature form factors to carry out a low-temperature expansion of two-point functions. We present two different but equivalent methods of regularizing the divergences present in the Lehmann expansion: one directly regulates the integral expressions of the squares of matrix elements in the infinite volume whereas the other operates through subtracting divergences in a large, finite volume. Our central results are that the temperature broadening of the line shape exhibits a pronounced asymmetry and a shift of the maximum upwards in energy ("temperature dependent gap"). The field theory results presented here describe the scaling limits of the dynamical structure factor in the quantum Ising and integer spin Heisenberg chains. We discuss the relevance of our results for the analysis of inelastic neutron scattering experiments on gapped spin chain systems such as CsNiCl3 and YBaNiO5.

  11. Nambu-Goldstone Effective Theory of Information at Quantum Criticality

    E-Print Network [OSTI]

    Dvali, Gia; Gomez, Cesar; Wintergerst, Nico

    2015-01-01

    We establish a fundamental connection between quantum criticality of a many-body system, such as Bose-Einstein condensates, and its capacity of information-storage and processing. For deriving the effective theory of modes in the vicinity of the quantum critical point we develop a new method by mapping a Bose-Einstein condensate of $N$-particles onto a sigma model with a continuous global (pseudo)symmetry that mixes bosons of different momenta. The Bogolyubov modes of the condensate are mapped onto the Goldstone modes of the sigma model, which become gapless at the critical point. These gapless Goldstone modes are the quantum carriers of information and entropy. Analyzing their effective theory, we observe the information-processing properties strikingly similar to the ones predicted by the black hole portrait. The energy cost per qubit of information-storage vanishes in the large-$N$ limit and the total information-storage capacity increases with $N$ either exponentially or as a power law. The longevity of i...

  12. Applications of coherent classical communication and the Schur transform to quantum information theory

    E-Print Network [OSTI]

    Harrow, Aram (Aram Wettroth), 1980-

    2005-01-01

    Quantum mechanics has led not only to new physical theories, but also a new understanding of information and computation. Quantum information not only yields new methods for achieving classical tasks such as factoring and ...

  13. Constraints on RG Flow for Four Dimensional Quantum Field Theories

    E-Print Network [OSTI]

    I. Jack; H. Osborn

    2015-02-09

    The response of four dimensional quantum field theories to a Weyl rescaling of the metric in the presence of local couplings and which involve $a$, the coefficient of the Euler density in the energy momentum tensor trace on curved space, is reconsidered. Previous consistency conditions for the anomalous terms, which implicitly define a metric $G$ on the space of couplings and give rise to gradient flow like equations for $a$, are derived taking into account the role of lower dimension operators. The results for infinitesimal Weyl rescaling are integrated to finite rescalings $e^{2\\sigma}$ to a form which involves running couplings $g_\\sigma$ and which interpolates between IR and UV fixed points. The results are also restricted to flat space where they give rise to broken conformal Ward identities. Expressions for the three loop Yukawa $\\beta$-functions for a general scalar/fermion theory are obtained and the three loop contribution to the metric $G$ for this theory are also calculated. These results are used to check the gradient flow equations to higher order than previously. It is shown that these are only valid when $\\beta \\to B$, a modified $\\beta$-function, and that the equations provide strong constraints on the detailed form of the three loop Yukawa $\\beta$-function. ${\\cal N}=1$ supersymmetric Wess-Zumino theories are also considered as a special case. It is shown that the metric for the complex couplings in such theories may be restricted to a hermitian form.

  14. Resonant Perturbation Theory of Decoherence and Relaxation of Quantum Bits

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

    Merkli, M.; Berman, G. P.; Sigal, I. M.

    2010-01-01

    We describe our recent results on the resonant perturbation theory of decoherence and relaxation for quantum systems with many qubits. The approach represents a rigorous analysis of the phenomenon of decoherence and relaxation for generalN-level systems coupled to reservoirs of bosonic fields. We derive a representation of the reduced dynamics valid for all timest?0and for small but fixed interaction strength. Our approach does not involve master equation approximations and applies to a wide variety of systems which are not explicitly solvable.

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

    E-Print Network [OSTI]

    T. A. Larsson

    2009-09-15

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

  16. Quantum Field Theory as a Faithful Image of Nature

    E-Print Network [OSTI]

    Öttinger, Hans Christian

    2015-01-01

    "All men by nature desire to know," states Aristotle in the famous first sentence of his Metaphysics. Knowledge about fundamental particles and interactions, that is, knowledge about the deepest aspects of matter, is certainly high if not top on the priority list, not only for physicists and philosophers. The goal of the present book is to contribute to this knowledge by going beyond the usual presentations of quantum field theory in physics textbooks, both in mathematical approach and by critical reflections inspired by epistemology, that is, by the branch of philosophy also referred to as the theory of knowledge. Hopefully, the present book motivates physicists to appreciate philosophical ideas. Epistemology and the philosophy of the evolution of science often seem to lag behind science and to describe the developments a posteriori. As philosophy here has a profound influence on the actual shaping of an image of fundamental particles and their interactions, our development should stimulate the curiosity and...

  17. Matter-enhanced transition probabilities in quantum field theory

    SciTech Connect (OSTI)

    Ishikawa, Kenzo Tobita, Yutaka

    2014-05-15

    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.

  18. Universal scaling in fast quantum quenches in conformal field theories

    E-Print Network [OSTI]

    Sumit R. Das; Damian A. Galante; Robert C. Myers

    2015-03-05

    We study the time evolution of a conformal field theory deformed by a relevant operator under a smooth but fast quantum quench which brings it to the conformal point. We argue that when the quench time scale $\\delta t$ is small compared to the scale set by the relevant coupling, the expectation value of the quenched operator scales universally as $\\delta g/ \\delta t ^{2\\Delta-d}$ where $\\delta g$ is the quench amplitude. This growth is further enhanced by a logarithmic factor in even dimensions. We present explicit results for free scalar and fermionic field theories, supported by an analytic understanding of the leading contribution for fast quenches. Results from this Letter suggest that this scaling result, first found in holography, is in fact universal to quantum quenches. Our considerations also show that this limit of fast smooth quenches is quite different from an instantaneous quench from one time-independent Hamiltonian to another, where the Schrodinger picture state at the time of the quench simply serves as an initial condition for subsequent evolution with the final Hamiltonian.

  19. PHYSICAL REVIEW A 84, 063806 (2011) Quantum-mechanical theory of optomechanical Brillouin cooling

    E-Print Network [OSTI]

    Carmon, Tal

    2011-01-01

    PHYSICAL REVIEW A 84, 063806 (2011) Quantum-mechanical theory of optomechanical Brillouin cooling 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

  20. Physics 218 Quantum Field Theory II Winter 2015 Introduction on Supersymmetry

    E-Print Network [OSTI]

    California at Santa Cruz, University of

    Physics 218 Quantum Field Theory II Winter 2015 Introduction on Supersymmetry Di Xu 1 Poincare the following notation: ~ (~ ) (5) #12;Physics 218 Quantum Field Theory II Winter 2015 and define two algebra Supersymmetry involves the introduction of a spinor generator to sup- plement the usual (bosonic

  1. Three Dimensional Time Theory: to Unify the Principles of Basic Quantum Physics and Relativity

    E-Print Network [OSTI]

    Xiaodong Chen

    2005-10-03

    Interpreting quantum mechanics(QM) by classical physics seems like an old topic; And unified theory is in physics frontier; But because the principles of quantum physics and relativity are so different, any theories of trying to unify 4 nature forces should not be considered as completed without truly unifying the basic principles between QM and relativity. This paper will interpret quantum physics by using two extra dimensional time as quantum hidden variables. I'll show that three dimensional time is a bridge to connect basics quantum physics, relativity and string theory. ``Quantum potential'' in Bohm's quantum hidden variable theory is derived from Einstein Lagrangian in 6-dimensional time-space geometry. Statistical effect in the measurement of single particle, non-local properties, de Broglie wave can be naturally derived from the natural properties of three dimensional time. Berry phase, double-slit interference of single particle, uncertainty relation, wave-packet collapse are discussed. The spin and g factor are derived from geometry of extra two time dimensions. Electron can be expressed as time monopole. In the last part of this paper, I'll discuss the relation between three dimensional time and unified theory. Key words: Quantum hidden variable, Interpreting of quantum physics, Berry phase, three dimensional time, unified theory

  2. 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

  3. Concept of chemical bond and aromaticity based on quantum information theory

    E-Print Network [OSTI]

    Szilvási, T; Legeza, Ö

    2015-01-01

    Quantum information theory (QIT) emerged in physics as standard technique to extract relevant information from quantum systems. It has already contributed to the development of novel fields like quantum computing, quantum cryptography, and quantum complexity. This arises the question what information is stored according to QIT in molecules which are inherently quantum systems as well. Rigorous analysis of the central quantities of QIT on systematic series of molecules offered the introduction of the concept of chemical bond and aromaticity directly from physical principles and notions. We identify covalent bond, donor-acceptor dative bond, multiple bond, charge-shift bond, and aromaticity indicating unified picture of fundamental chemical models from ab initio.

  4. Pictures and equations of motion in Lagrangian quantum field theory

    E-Print Network [OSTI]

    Bozhidar Z. Iliev

    2003-02-01

    The Heisenberg, interaction, and Schr\\"odinger pictures of motion are considered in Lagrangian (canonical) quantum field theory. The equations of motion (for state vectors and field operators) are derived for arbitrary Lagrangians which are polynomial or convergent power series in field operators and their first derivatives. The general links between different time-dependent pictures of motion are derived. It is pointed that all of them admit covariant formulation, similar to the one of interaction picture. A new picture, called the momentum picture, is proposed. It is a 4-dimensional analogue of the Schr\\"odinger picture of quantum mechanics as in it the state vectors are spacetime-dependent, while the field operators are constant relative to the spacetime. The equations of motion in momentum picture are derived and partially discussed. In particular, the ones for the field operators turn to be of algebraic type. The general idea of covariant pictures of motion is presented. The equations of motion in these pictures are derived.

  5. Density Functional Theory (DFT) Rob Parrish

    E-Print Network [OSTI]

    Sherrill, David

    · References 2 #12;Wavefunction Approach 3 Hydrogen 421 Wavefunction at Density Isosurface. Really hard to find Easy to do this Why? Because of Hermitian Operators: Kinetic Energy Density: #12;Density Functional Approach 4 Hydrogen 421 Density (Why is it grayscale?) A bit less obvious Probably easier to find

  6. Lessons for Loop Quantum Gravity from Parametrised Field Theory

    E-Print Network [OSTI]

    Thomas Thiemann

    2010-10-12

    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.

  7. A quantum chemical study of nitric oxide reduction by ammonia (SCR reaction) on V2O5 catalyst surface

    E-Print Network [OSTI]

    Senkan, Selim M.

    for the selective catalytic reduction (SCR) of nitric oxide by ammonia on (0 1 0) V2O5 surface represented by a V2O9; Density functional theory; DFT; V2O5 1. Introduction Selective catalytic reduction (SCR) of nitric oxideA quantum chemical study of nitric oxide reduction by ammonia (SCR reaction) on V2O5 catalyst

  8. Superanalogs of symplectic and contact geometry and their applications to quantum field theory

    E-Print Network [OSTI]

    Albert Schwarz

    1994-06-17

    The paper contains a short review of the theory of symplectic and contact manifolds and of the generalization of this theory to the case of supermanifolds. It is shown that this generalization can be used to obtain some important results in quantum field theory. In particular, regarding $N$-superconformal geometry as particular case of contact complex geometry, one can better understand $N=2$ superconformal field theory and its connection to topological conformal field theory. The odd symplectic geometry constitutes a mathematical basis of Batalin-Vilkovisky procedure of quantization of gauge theories. The exposition is based mostly on published papers. However, the paper contains also a review of some unpublished results (in the section devoted to the axiomatics of $N=2$ superconformal theory and topological quantum field theory). The paper will be published in Berezin memorial volume.

  9. Optimal quantum control in nanostructures: Theory and application...

    Office of Scientific and Technical Information (OSTI)

    36 MATERIALS SCIENCE; CONVERGENCE; ENERGY LEVELS; LASER RADIATION; NANOSTRUCTURES; OPTICS; OPTIMAL CONTROL; OPTIMIZATION; PULSES; QUANTUM MECHANICS; USES; WAVE FUNCTIONS Word...

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

    E-Print Network [OSTI]

    Sanz, A S

    2015-01-01

    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...

  11. THEORY OF THE CONTROL OF OBSERVABLE QUANTUM V. P. BELAVKIN

    E-Print Network [OSTI]

    Belavkin, Viacheslav P.

    . The general problem of optimal control of a quantum-mechanical system is discussed and the corre- sponding], of the dynamical observation and feedback control optimization problems for such systems has provided a means measurement and control of classical (i.e., non-quantum) Markov processes with quantum observation channels

  12. On the Compatibility Between Quantum and Relativistic Effects in an Electromagnetic Bridge Theory

    E-Print Network [OSTI]

    Massimo Auci

    2010-03-18

    The Dipolar Electromagnetic Source (DEMS) model, based on the Poynting Vector Conjecture, conduces in Bridge Theory to a derivation of the Lorentz transformation connecting pairs of events. The results prove a full compatibility between quantum and relativistic effects.

  13. 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

    2009-03-02

    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.

  14. Comment on "Theoretical Model of a Purported Empirical Violation of the Predictions of Quantum Theory"

    E-Print Network [OSTI]

    Dowling, Jonathan P.

    Theory" Jonathan P. Dowling* Quantum Computing Group, Mail Stop 126-347 NASA Jet Propulsion Laboratory their psychic powers to alter the laws of quantum mechanics and thereby modify the outcome of events that have nonphysical effects: noncausality, nonlocality, energy non-conservation, nonunitary evolution of the wave

  15. A lattice bosonic model as a quantum theory of gravity Zheng-Cheng Gu

    E-Print Network [OSTI]

    Wen, Xiao-Gang

    as a theory of quantum gravity. It solves a long standing problem of putting quantum mechanics and gravity to- gether. On the other hand, the model provides a design of a condensed matter system which has an emergent everything as made of some simple indi- visible building blocks ­ the elementary particles. How- ever

  16. Towards the theory of control in observable quantum systems

    E-Print Network [OSTI]

    V P Belavkin

    2004-08-02

    An operational description of the controlled Markov dynamics of quantum-mechanical system is introduced. The feedback control strategies with regard to the dynamical reduction of quantum states in the course of quantum real-time measurements are discribed in terms of quantum filtering of these states. The concept of sufficient coordinates for the description of the a posteriori quantum states from a given class is introduced, and it is proved that they form a classical Markov process with values in either state operators or state vector space. The general problem of optimal control of a quantum-mechanical system is discussed and the corresponding Bellman equation in the space of sufficient coordinates is derived. The results are illustrated in the example of control of the semigroup dynamics of a quantum system that is instantaneously observed at discrete times and evolves between measurement times according to the Schroedinger equation.

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

    E-Print Network [OSTI]

    Peter Morgan

    2008-06-09

    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.

  18. Density-Functional Theory and Quantum Chemistry Studies on "dry" and "wet"

    E-Print Network [OSTI]

    Alavi, Ali

    Density-Functional Theory and Quantum Chemistry Studies on "dry" and "wet" NaCl(001) vorgelegt von essential role as a food preserva- tive. However, many fundamental physical and chemical properties of Na), and defects on NaCl(001) surfaces have been examined with density-functional theory within the plane

  19. Acceleration of quantum optimal control theory algorithms with mixing strategies Alberto Castro* and E. K. U. Gross

    E-Print Network [OSTI]

    Gross, E.K.U.

    Acceleration of quantum optimal control theory algorithms with mixing strategies Alberto Castro algorithms utilized in quantum optimal control theory QOCT . We show how the nonlinear equations of QOCT can optimal control theory 1­4 QOCT answers the following question: A system can be driven, during some time

  20. Atomic and Molecular Quantum Theory Course Number: C561 10 Quantum Confinement in "Quantum dots", Thomas Fermi

    E-Print Network [OSTI]

    Iyengar, Srinivasan S.

    "niche" area called quantum dots. 1. A quantum dot is a very small chunk of semiconductor material with quantum-like properties. These are any effects that the bulk form of the same material does not possess quantum mechanical proper- ties and discrete energy levels. 3. As a first approximation these materials

  1. 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

    2002-03-25

    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.

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

    E-Print Network [OSTI]

    Matthew James

    2014-06-20

    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.

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

    E-Print Network [OSTI]

    A. E. Shalyt-Margolin

    2014-12-10

    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.

  4. The History and Present Status of Quantum Field Theory in Curved Spacetime

    E-Print Network [OSTI]

    Wald, R M

    2006-01-01

    Quantum field theory in curved spacetime is a theory wherein matter is treated fully in accord with the principles of quantum field theory, but gravity is treated classically in accord with general relativity. It is not expected to be an exact theory of nature, but it should provide a good approximate description when the quantum effects of gravity itself do not play a dominant role. A major impetus to the theory was provided by Hawking's calculation of particle creation by black holes, showing that black holes radiate as perfect black bodies. During the past 30 years, considerable progress has been made in giving a mathematically rigorous formulation of quantum field theory in curved spacetime. Major issues of principle with regard to the formulation of the theory arise from the lack of Poincare symmetry and the absence of a preferred vacuum state or preferred notion of ``particles''. By the mid-1980's, it was understood how all of these difficulties could be overcome for free (i.e., non-self-interacting) qu...

  5. 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)

    2014-12-15

    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.

  6. Wave theories of non-laminar charged particle beams: from quantum to thermal regime

    E-Print Network [OSTI]

    Renato Fedele; Fatema Tanjia; Dusan Jovanovic; Sergio De Nicola; Concetta Ronsivalle

    2013-04-01

    The standard classical description of non-laminar charge particle beams in paraxial approximation is extended to the context of two wave theories. The first theory is the so-called Thermal Wave Model (TWM) that interprets the paraxial thermal spreading of the beam particles as the analog of the quantum diffraction. The other theory, hereafter called Quantum Wave Model (QWM), that takes into account the individual quantum nature of the single beam particle (uncertainty principle and spin) and provides the collective description of the beam transport in the presence of the quantum paraxial diffraction. QWM can be applied to beams that are sufficiently cold to allow the particles to manifest their individual quantum nature but sufficiently warm to make overlapping-less the single-particle wave functions. In both theories, the propagation of the beam transport in plasmas or in vacuo is provided by fully similar set of nonlinear and nonlocal governing equations, where in the case of TWM the Compton wavelength (fundamental emittance) is replaced by the beam thermal emittance. In both models, the beam transport in the presence of the self-fields (space charge and inductive effects) is governed by a suitable nonlinear nonlocal 2D Schroedinger equation that is used to obtain the envelope beam equation in quantum and quantum-like regimes, respectively. An envelope equation is derived for both TWM and QWM regimes. In TWM we recover the well known Sacherer equation whilst, in QWM we obtain the evolution equation of the single-particle spot size, i.e., single quantum ray spot in the transverse plane (Compton regime). We show that such a quantum evolution equation contains the same information carried out by an evolution equation for the beam spot size (description of the beam as a whole). This is done by defining the lowest QWM state reachable by a system of overlapping-less Fermions.

  7. Interpretations of Quantum Theory in the Light of Modern Cosmology

    E-Print Network [OSTI]

    Mario Castagnino; Sebastian Fortin; Roberto Laura; Daniel Sudarsky

    2014-12-24

    The difficult issues related to the interpretation of quantum mechanics and, in particular, the "measurement problem" are revisited using as motivation the process of generation of structure from quantum fluctuations in inflationary cosmology. The unessential mathematical complexity of the particular problem is bypassed, facilitating the discussion of the conceptual issues, by considering, within the paradigm set up by the cosmological problem, another problem where symmetry serves as a focal point: a simplified version of Mott's problem.

  8. 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

  9. Time-reversal symmetry breaking and the field theory of quantum chaos

    SciTech Connect (OSTI)

    Simons, B.D. [Cavendish Laboratory, Madingley Road, Cambridge, CB3 0HE (United Kingdom)] [Cavendish Laboratory, Madingley Road, Cambridge, CB3 0HE (United Kingdom); Agam, O. [NEC Research Institute, 4 Independence Way, Princeton, New Jersey 08540 (United States)] [NEC Research Institute, 4 Independence Way, Princeton, New Jersey 08540 (United States); Andreev, A.V. [Institute for Theoretical Physics, University of California, Santa Barbara, California 93106 (United States)] [Institute for Theoretical Physics, University of California, Santa Barbara, California 93106 (United States)

    1997-04-01

    Recent studies have shown that the quantum statistical properties of systems which are chaotic in their classical limit can be expressed in terms of an effective field theory. Within this description, spectral properties are determined by low energy relaxation modes of the classical evolution operator. It is in the interaction of these modes that quantum interference effects are encoded. In this paper we review this general approach and discuss how the theory is modified to account for time-reversal symmetry breaking. To keep our discussion general, we will also briefly describe how the theory is modified by the presence of an additional discrete symmetry such as inversion. Throughout, parallels are drawn between quantum chaotic systems and the properties of weakly disordered conductors. {copyright} {ital 1997 American Institute of Physics.}

  10. No-Go Theorems Face Fluid-Dynamical Theories for Quantum Mechanics

    E-Print Network [OSTI]

    Louis Vervoort

    2014-06-16

    Recent experiments on fluid-dynamical systems have revealed a series of striking quantum-like features of these macroscopic systems, thus reviving the quest to describe quantum mechanics by classical, in particular fluid-dynamical, theories. However, it is generally admitted that such an endeavor is impossible, on the basis of the 'no-go' theorems of Bell and Kochen-Specker. Here we show that such theorems are inoperative for fluid-dynamical models, even if these are local. Such models appear to violate one of the premises of both theorems, and can reproduce the quantum correlation of the Bell experiment. Therefore the statement that 'local hidden-variable theories are impossible' appears to be untenable for theories just slightly more general than originally envisaged by Bell. We also discuss experimental implications.

  11. Topological gauge theories from supersymmetric quantum mechanics on spaces of connections

    E-Print Network [OSTI]

    M Blau; G Thompson

    1991-12-20

    We rederive the recently introduced $N=2$ topological gauge theories, representing the Euler characteristic of moduli spaces ${\\cal M}$ of connections, from supersymmetric quantum mechanics on the infinite dimensional spaces ${\\cal A}/{\\cal G}$ of gauge orbits. To that end we discuss variants of ordinary supersymmetric quantum mechanics which have meaningful extensions to infinite-dimensional target spaces and introduce supersymmetric quantum mechanics actions modelling the Riemannian geometry of submersions and embeddings, relevant to the projections ${\\cal A}\\rightarrow {\\cal A}/{\\cal G}$ and inclusions ${\\cal M}\\subset{\\cal A}/{\\cal G}$ respectively. We explain the relation between Donaldson theory and the gauge theory of flat connections in $3d$ and illustrate the general construction by other $2d$ and $4d$ examples.

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

    E-Print Network [OSTI]

    Naoki Yamamoto

    2014-10-10

    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.

  13. Non-Perturbative Renormalization Flow in Quantum Field Theory and Statistical Physics

    E-Print Network [OSTI]

    J. Berges; N. Tetradis; C. Wetterich

    2000-05-12

    We review the use of an exact renormalization group equation in quantum field theory and statistical physics. It describes the dependence of the free energy on an infrared cutoff for the quantum or thermal fluctuations. Non-perturbative solutions follow from approximations to the general form of the coarse-grained free energy or effective average action. They interpolate between the microphysical laws and the complex macroscopic phenomena. Our approach yields a simple unified description for O(N)-symmetric scalar models in two, three or four dimensions, covering in particular the critical phenomena for the second-order phase transitions, including the Kosterlitz-Thouless transition and the critical behavior of polymer chains. We compute the aspects of the critical equation of state which are universal for a large variety of physical systems and establish a direct connection between microphysical and critical quantities for a liquid-gas transition. Universal features of first-order phase transitions are studied in the context of scalar matrix models. We show that the quantitative treatment of coarse graining is essential for a detailed estimate of the nucleation rate. We discuss quantum statistics in thermal equilibrium or thermal quantum field theory with fermions and bosons and we describe the high temperature symmetry restoration in quantum field theories with spontaneous symmetry breaking. In particular, we explore chiral symmetry breaking and the high temperature or high density chiral phase transition in quantum chromodynamics using models with effective four-fermion interactions.

  14. Quantum chaos, random matrix theory, and statistical mechanics in two dimensions - a unified approach

    E-Print Network [OSTI]

    Sudhir R. Jain; Daniel Alonso

    1996-09-19

    We present a theory where the statistical mechanics for dilute ideal gases can be derived from random matrix approach. We show the connection of this approach with Srednicki approach which connects Berry conjecture with statistical mechanics. We further establish a link between Berry conjecture and random matrix theory, thus providing a unified edifice for quantum chaos, random matrix theory, and statistical mechanics. In the course of arguing for these connections, we observe sum rules associated with the outstanding counting problem in the theory of braid groups. We are able to show that the presented approach leads to the second law of thermodynamics.

  15. Quantum confinement in Si and Ge nanostructures: Theory and experiment

    SciTech Connect (OSTI)

    Barbagiovanni, Eric G.; Lockwood, David J.; Simpson, Peter J.; Goncharova, Lyudmila V.

    2014-03-15

    The role of quantum confinement (QC) in Si and Ge nanostructures (NSs) including quantum dots, quantum wires, and quantum wells is assessed under a wide variety of fabrication methods in terms of both their structural and optical properties. Structural properties include interface states, defect states in a matrix material, and stress, all of which alter the electronic states and hence the measured optical properties. We demonstrate how variations in the fabrication method lead to differences in the NS properties, where the most relevant parameters for each type of fabrication method are highlighted. Si embedded in, or layered between, SiO{sub 2}, and the role of the sub-oxide interface states embodies much of the discussion. Other matrix materials include Si{sub 3}N{sub 4} and Al{sub 2}O{sub 3}. Si NSs exhibit a complicated optical spectrum, because the coupling between the interface states and the confined carriers manifests with varying magnitude depending on the dimension of confinement. Ge NSs do not produce well-defined luminescence due to confined carriers, because of the strong influence from oxygen vacancy defect states. Variations in Si and Ge NS properties are considered in terms of different theoretical models of QC (effective mass approximation, tight binding method, and pseudopotential method). For each theoretical model, we discuss the treatment of the relevant experimental parameters.

  16. Random matrix theory and critical phenomena in quantum spin chains

    E-Print Network [OSTI]

    J. Hutchinson; J. P. Keating; F. Mezzadri

    2015-03-19

    We compute critical properties of a general class of quantum spin chains which are quadratic in the Fermi operators and can be solved exactly under certain symmetry constraints related to the classical compact groups $U(N)$, $O(N)$ and $Sp(2N)$. In particular we calculate critical exponents $s$, $\

  17. 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)

    2014-04-24

    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.

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

    E-Print Network [OSTI]

    Andrei Khrennikov

    2008-03-10

    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.

  19. Tunneling of the 3rd Kind: A Test of the Effective Non-locality of Quantum Field Theory

    E-Print Network [OSTI]

    Simon A. Gardiner; Holger Gies; Joerg Jaeckel; Chris J. Wallace

    2013-04-09

    Integrating out virtual quantum fluctuations in an originally local quantum field theory results in an effective theory which is non-local. In this Letter we argue that tunneling of the 3rd kind - where particles traverse a barrier by splitting into a pair of virtual particles which recombine only after a finite distance - provides a direct test of this non-locality. We sketch a quantum-optical setup to test this effect, and investigate observable effects in a simple toy model.

  20. An exact RG formulation of quantum gauge theory

    E-Print Network [OSTI]

    Tim R. Morris

    2001-02-19

    A gauge invariant Wilsonian effective action is constructed for pure SU(N) Yang-Mills theory by formulating the corresponding flow equation. Manifestly gauge invariant calculations can be performed i.e. without gauge fixing or ghosts. Regularisation is implemented in a novel way which realises a spontaneously broken SU(N|N) supergauge theory. As an example we sketch the computation of the one-loop beta function, performed for the first time without any gauge fixing.

  1. Microscopic model versus systematic low-energy effective field theory for a doped quantum ferromagnet

    SciTech Connect (OSTI)

    Gerber, U.; Wiese, U.-J.; Hofmann, C. P.; Kaempfer, F.

    2010-02-01

    We consider a microscopic model for a doped quantum ferromagnet as a test case for the systematic low-energy effective field theory for magnons and holes, which is constructed in complete analogy to the case of quantum antiferromagnets. In contrast to antiferromagnets, for which the effective field theory approach can be tested only numerically, in the ferromagnetic case, both the microscopic and the effective theory can be solved analytically. In this way, the low-energy parameters of the effective theory are determined exactly by matching to the underlying microscopic model. The low-energy behavior at half-filling as well as in the single- and two-hole sectors is described exactly by the systematic low-energy effective field theory. In particular, for weakly bound two-hole states the effective field theory even works beyond perturbation theory. This lends strong support to the quantitative success of the systematic low-energy effective field theory method not only in the ferromagnetic but also in the physically most interesting antiferromagnetic case.

  2. Theory of the strongly-damped quantum harmonic oscillator

    E-Print Network [OSTI]

    Stephen M. Barnett; James D. Cresser; Sarah Croke

    2015-08-10

    We analyse the properties of a strongly-damped quantum harmonic oscillator by means of an exact diagonalisation of the full Hamiltonian, including both the oscillator and the reservoir degrees of freedom to which it is coupled. Many of the properties of the oscillator, including its steady-state properties and entanglement with the reservoir can be understood and quantified in terms of a simple probability density, which we may associate with the ground-state frequency spectrum of the oscillator.

  3. Characterizing common cause closedness of quantum probability theories

    E-Print Network [OSTI]

    Yuichiro Kitajima; Miklos Redei

    2015-03-15

    We prove new results on common cause closedness of quantum probability spaces, where by a quantum probability space is meant the projection lattice of a non-commutative von Neumann algebra together with a countably additive probability measure on the lattice. Common cause closedness is the feature that for every correlation between a pair of commuting projections there exists in the lattice a third projection commuting with both of the correlated projections and which is a Reichenbachian common cause of the correlation. The main result we prove is that a quantum probability space is common cause closed if and only if it has at most one measure theoretic atom. This result improves earlier ones published in Z. GyenisZ and M. Redei Erkenntnis 79 (2014) 435-451. The result is discussed from the perspective of status of the Common Cause Principle. Open problems on common cause closedness of general probability spaces $(\\mathcal{L},\\phi)$ are formulated, where $\\mathcal{L}$ is an orthomodular bounded lattice and $\\phi$ is a probability measure on $\\mathcal{L}$.

  4. 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

    1998-12-24

    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.

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

    E-Print Network [OSTI]

    Yu Nakayama

    2009-06-23

    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.

  6. Effective Field Theory out of Equilibrium: Brownian quantum fields

    E-Print Network [OSTI]

    D. Boyanovsky

    2015-06-19

    The emergence of an effective field theory out of equilibrium is studied in the case in which a light field --the system-- interacts with very heavy fields in a finite temperature bath. We obtain the reduced density matrix for the light field, its time evolution is determined by an effective action that includes the \\emph{influence action} from correlations of the heavy degrees of freedom. The non-equilibrium effective field theory yields a Langevin equation of motion for the light field in terms of dissipative and noise kernels that obey a generalized fluctuation dissipation relation. These are completely determined by the spectral density of the bath which is analyzed in detail for several cases. At $T=0$ we elucidate the effect of thresholds in the renormalization aspects and the asymptotic emergence of a local effective field theory with unitary time evolution. At $T\

  7. Non-relativistic quantum theory at finite temperature

    E-Print Network [OSTI]

    Xiang-Yao Wu; Bo-Jun Zhang; Xiao-Jing Liu; Si-Qi Zhang; Jing Wang; Hong Li; Nou Ba; Li Xiao; Yi-Heng Wu

    2012-12-06

    We propose the non-relativistic finite temperature quantum wave equations for a single particle and multiple particles. We give the relation between energy eigenvalues, eigenfunctions, transition frequency and temperature, and obtain some results: (1) when the degeneracies of two energy levels are same, the transition frequency between the two energy levels is unchanged when the temperature is changed. (2) When the degeneracies of two energy levels are different, the variance of transition frequency at two energy levels is direct proportion to temperature difference.

  8. Quantum Moduli Space of the Cascading Sp(p+M) x Sp(p) Gauge Theory

    E-Print Network [OSTI]

    Fumikazu Koyama; Futoshi Yagi

    2006-12-27

    We extend the detailed analysis of the quantum moduli space of the cascading SU(p+M) x SU(p) gauge theory in the recent paper of Dymarsky, Klebanov, and Seiberg for the Sp(p+M) x Sp(p) cascading gauge theory, which lives on the world volume of p D3-branes and M fractional D3-branes at the tip of the orientifolded conifold. As in their paper, we also find in this case that the ratio of the deformation parameters of the quantum constraint on the different branches in the gauge theory can be reproduced by the ratio of the deformation parameters of the conifold with different numbers of mobile D3-branes.

  9. Fractional Quantum Hall Effect and M-Theory

    E-Print Network [OSTI]

    Vafa, Cumrun

    2015-01-01

    We propose a unifying model for FQHE which on the one hand connects it to recent developments in string theory and on the other hand leads to new predictions for the principal series of experimentally observed FQH systems with filling fraction $\

  10. Fractional Quantum Hall Effect and M-Theory

    E-Print Network [OSTI]

    Cumrun Vafa

    2015-11-12

    We propose a unifying model for FQHE which on the one hand connects it to recent developments in string theory and on the other hand leads to new predictions for the principal series of experimentally observed FQH systems with filling fraction $\

  11. Symplectic quantum mechanics and Chern-Simons gauge theory. I

    SciTech Connect (OSTI)

    Jeffrey, Lisa C.

    2013-05-15

    In this article we describe the relation between the Chern-Simons gauge theory partition function and the partition function defined using the symplectic action functional as the Lagrangian. We show that the partition functions obtained using these two Lagrangians agree, and we identify the semiclassical formula for the partition function defined using the symplectic action functional.

  12. Linear response theory in quantum statistical mechanics V. Jaksic1

    E-Print Network [OSTI]

    issue of non-equilibrium steady states (NESS) in two independent steps. (A) The existence and analytic properties of NESS are assumed as an axiom. On the basis of this axiom one develops the mathematical theory to a NESS and analytical properties of this NESS are detailed dynamical problems which can be answered only

  13. Is there a "most perfect fluid" consistent with quantum field theory?

    E-Print Network [OSTI]

    Thomas D. Cohen

    2007-03-05

    It was recently conjectured that the ratio of the shear viscosity to entropy density, $ \\eta/ s$, for any fluid always exceeds $\\hbar/(4 \\pi k_B)$. This conjecture was motivated by quantum field theoretic results obtained via the AdS/CFT correspondence and from empirical data with real fluids. A theoretical counterexample to this bound can be constructed from a nonrelativistic gas by increasing the number of species in the fluid while keeping the dynamics essentially independent of the species type. The question of whether the underlying structure of relativistic quantum field theory generically inhibits the realization of such a system and thereby preserves the possibility of a universal bound is considered here. Using rather conservative assumptions, it is shown here that a metastable gas of heavy mesons in a particular controlled regime of QCD provides a realization of the counterexample and is consistent with a well-defined underlying relativistic quantum field theory. Thus, quantum field theory appears to impose no lower bound on $\\eta/s$, at least for metastable fluids.

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

    SciTech Connect (OSTI)

    Albayrak, Cigdem Kosar, Basak; Odabasoglu, Mustafa; Bueyuekguengoer, Orhan

    2010-12-15

    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.

  15. Low energy Lorentz violation from polymer quantum field theory

    E-Print Network [OSTI]

    Husain, Viqar

    2015-01-01

    We analyze the response of an inertial two-level Unruh-DeWitt particle detector coupled to a polymer quantized scalar field in four-dimensional Minkowski spacetime, within first-order perturbation theory. Above a critical rapidity $\\beta_c \\approx 1.3675$, independent of the polymer mass scale $M_\\star$, two drastic changes occur: (i) the detector's excitation rate becomes nonvanishing; (ii) the excitation and de-excitation rates are of order $M_\\star$, for arbitrarily small detector energy gap. We argue that qualitatively similar results hold for any Lorentz violating theory in which field modes with spatial momentum $k$ have excitation energy of the form $|k|\\ f(|k|/M_\\star)$ where the function $f$ dips below unity.

  16. Low energy Lorentz violation from polymer quantum field theory

    E-Print Network [OSTI]

    Viqar Husain; Jorma Louko

    2015-08-21

    We analyze the response of an inertial two-level Unruh-DeWitt particle detector coupled to a polymer quantized scalar field in four-dimensional Minkowski spacetime, within first-order perturbation theory. Above a critical rapidity $\\beta_c \\approx 1.3675$, independent of the polymer mass scale $M_\\star$, two drastic changes occur: (i) the detector's excitation rate becomes nonvanishing; (ii) the excitation and de-excitation rates are of order $M_\\star$, for arbitrarily small detector energy gap. We argue that qualitatively similar results hold for any Lorentz violating theory in which field modes with spatial momentum $k$ have excitation energy of the form $|k|\\ f(|k|/M_\\star)$ where the function $f$ dips below unity.

  17. Density-functional theory of freezing of quantum liquids at zero temperature using exact liquid-state linear response

    E-Print Network [OSTI]

    Likos, Christos N.

    Density-functional theory of freezing of quantum liquids at zero temperature using exact liquid-functional theory to study the freezing of superfluid 4 He, charged bosons, and charged fermions at zero temperature-functional theory of freezing that involve linear response, all fail to correctly describe the crystalliza- tion

  18. Time delay for dispersive systems in quantum scattering theory

    E-Print Network [OSTI]

    Rafael Tiedra de Aldecoa

    2008-10-06

    We consider time delay and symmetrised time delay (defined in terms of sojourn times) for quantum scattering pairs $\\{H_0=h(P),H\\}$, where $h(P)$ a dispersive operator of hypoelliptic-type. For instance $h(P)$ can be one of the usual elliptic operators such as the Schr\\"odinger operator $h(P)=P^2$ or the square-root Klein-Gordon operator $h(P)=\\sqrt{1+P^2}$. We show under general conditions that the symmetrised time delay exists for all smooth even localization functions. It is equal to the Eisenbud-Wigner time delay plus a contribution due to the non-radial component of the localization function. If the scattering operator $S$ commutes with some function of the velocity operator $\

  19. Electronic Structure of Ligated CdSe Clusters: Dependence on DFT Methodology

    SciTech Connect (OSTI)

    Albert, VV; Ivanov, SA; Tretiak, S; Kilina, SV

    2011-07-07

    Simulations of ligated semiconductor quantum dots (QDs) and their physical properties, such as morphologies, QD-ligand interactions, electronic structures, and optical transitions, are expected to be very sensitive to computational methodology. We utilize Density Functional Theory (DFT) and systematically study how the choice of density functional, atom-localized basis set, and a solvent affects the physical properties of the Cd{sub 33}Se{sub 33} cluster ligated with a trimethyl phosphine oxide ligand. We have found that qualitative performance of all exchange-correlation (XC) functionals is relatively similar in predicting strong QD-ligand binding energy ({approx}1 eV). Additionally, all functionals predict shorter Cd-Se bond lengths on the QD surface than in its core, revealing the nature and degree of QD surface reconstruction. For proper modeling of geometries and QD-ligand interactions, however, augmentation of even a moderately sized basis set with polarization functions (e.g., LANL2DZ* and 6-31G*) is very important. A polar solvent has very significant implications for the ligand binding energy, decreasing it to 0.2-0.5 eV. However, the solvent model has a minor effect on the optoelectronic properties, resulting in persistent blue shifts up to {approx}0.3 eV of the low-energy optical transitions. For obtaining reasonable energy gaps and optical transition energies, hybrid XC functionals augmented by a long-range Hartree-Fock orbital exchange have to be applied.

  20. The logic of the future in the Everett-Wheeler understanding of quantum theory

    E-Print Network [OSTI]

    Anthony Sudbery

    2015-02-04

    I discuss the problems of probability and the future in the Everett-Wheeler understanding of quantum theory. To resolve these, I propose an understanding of probability arising from a form of temporal logic: the probability of a future-tense proposition is identified with its truth value in a many-valued and context-dependent logic. I construct a lattice of tensed propositions, with truth values in the interval $[0,1]$, and derive logical properties of the truth values given by the usual quantum-mechanical formula for the probability of histories.

  1. Quantum theory of amplified spontaneous emission: scaling properties

    SciTech Connect (OSTI)

    Garrison, J.C.; Nathel, H.; Chiao, R.Y.

    1988-07-01

    We formulate a second-quantized theory of propagation in laser-active media and apply it to the description of amplified spontaneous emission for the case of homogeneously broadened three-level atoms in a rodlike geometry with arbitrary Fresnel number. The electromagnetic field is treated in paraxial approximation by an ad hoc quantization scheme, and spontaneous emission into off-axis modes is described by noise operator methods. We show by a scaling (dimensional) analysis how to derive the characteristic fields and lengths for superfluorescence and amplified spontaneous emission. The results show that dye media can be used as experimental analogs for x-ray lasers.

  2. D-branes and Non-Perturbative Quantum Field Theory: Stringy Instantons and Strongly Coupled Spintronics

    E-Print Network [OSTI]

    Musso, Daniele

    2012-01-01

    The non-perturbative dynamics of quantum field theories is studied using theoretical tools inspired by string formalism. Two main lines are developed: the analysis of stringy instantons in a class of four-dimensional N=2 gauge theories and the holographic study of the minimal model for a strongly coupled unbalanced superconductor. The field theory instanton calculus admits a natural and efficient description in terms of D-brane models. In addition, the string viewpoint offers the possibility of generalizing the ordinary instanton configurations. Even though such generalized, or stringy, instantons would be absent in a purely field-theoretical, low-energy treatment, we demonstrate that they do alter the IR effective description of the brane dynamics by introducing contributions related to the string scale. In the first part of this thesis we compute explicitly the stringy instanton corrections to the effective prepotential in a class of quiver gauge theories. In the second part of the thesis, we present a deta...

  3. Quantum optical effective-medium theory for loss-compensated metamaterials

    E-Print Network [OSTI]

    Ehsan Amooghorban; N. Asger Mortensen; Martijn Wubs

    2013-03-13

    A central aim in metamaterial research is to engineer sub-wavelength unit cells that give rise to desired effective-medium properties and parameters, such as a negative refractive index. Ideally one can disregard the details of the unit cell and employ the effective description instead. A popular strategy to compensate for the inevitable losses in metallic components of metamaterials is to add optical gain material. Here we study the quantum optics of such loss-compensated metamaterials at frequencies for which effective parameters can be unambiguously determined. We demonstrate that the usual effective parameters are insufficient to describe the propagation of quantum states of light. Furthermore, we propose a quantum-optical effective-medium theory instead and show that it correctly predicts the properties of the light emerging from loss-compensated metamaterials.

  4. Gauge fields in graphene with nonuniform elastic deformations: A quantum field theory approach

    E-Print Network [OSTI]

    Arias, Enrique; Lewenkopf, Caio

    2015-01-01

    We investigate the low energy continuum limit theory for electrons in a graphene sheet under strain. We use the quantum field theory in curved spaces to analyze the effect of the system deformations into an effective gauge field. We study both in-plane and out-of-plane deformations and obtain a closed expression for the effective gauge field due to arbitrary nonuniform sheet deformations. The obtained results reveal a remarkable relation between the local-pseudo magnetic field and the Riemann curvature, so far overlooked.

  5. Gauge fields in graphene with nonuniform elastic deformations: A quantum field theory approach

    E-Print Network [OSTI]

    Enrique Arias; Alexis R. Hernández; Caio Lewenkopf

    2015-11-27

    We investigate the low energy continuum limit theory for electrons in a graphene sheet under strain. We use the quantum field theory in curved spaces to analyze the effect of the system deformations into an effective gauge field. We study both in-plane and out-of-plane deformations and obtain a closed expression for the effective gauge field due to arbitrary nonuniform sheet deformations. The obtained results reveal a remarkable relation between the local-pseudo magnetic field and the Riemann curvature, so far overlooked.

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

    E-Print Network [OSTI]

    Wu, Yue-Liang

    2015-01-01

    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...

  7. 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

    2015-04-10

    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...

  8. Analytical results from the quantum theory of a single-emitter nanolaser

    SciTech Connect (OSTI)

    Larionov, Nikolay V.; Kolobov, Mikhail I.

    2011-11-15

    We provide analytical results obtained in the framework of the quantum theory for a single-emitter nanolaser: an incoherently pumped single two-level system interacting with a single-cavity mode of finite finesse. In the good-cavity limit we analytically calculate the linewidth of such a laser, its amplitude fluctuation spectrum, and the intracavity Mandel Q parameter. Our analytical results are in very good agreement with numerical simulations of the master equation.

  9. Perturbation Theory and Control in Classical or Quantum Mechanics by an Inversion Formula

    E-Print Network [OSTI]

    Michel Vittot

    2004-06-07

    We consider a perturbation of an ``integrable'' Hamiltonian and give an expression for the canonical or unitary transformation which ``simplifies'' this perturbed system. The problem is to invert a functional defined on the Lie- algebra of observables. We give a bound for the perturbation in order to solve this inversion. And apply this result to a particular case of the control theory, as a first example, and to the ``quantum adiabatic transformation'', as another example.

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

    E-Print Network [OSTI]

    Erez Zohar; J. Ignacio Cirac; Benni Reznik

    2015-03-08

    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.

  11. Non-Hermitian scattering theory: Resonant tunneling probability amplitude in a quantum dot Hadas Barkay, Edvardas Narevicius, and Nimrod Moiseyev*

    E-Print Network [OSTI]

    Narevicius, Edvardas

    properties of quantum dots, phenomena such as tunneling of electrons must be characterized. Phase, in a manner that enabled them to control the potential of the electrons trapped in it by varying the plungerNon-Hermitian scattering theory: Resonant tunneling probability amplitude in a quantum dot Hadas

  12. 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

    2015-03-02

    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.

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

    E-Print Network [OSTI]

    Langfeld, K; Rago, A; Pellegrini, R; Bongiovanni, L

    2015-01-01

    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 fr...

  14. Trading classical communication, quantum communication, and entanglement in quantum Shannon theory

    E-Print Network [OSTI]

    Min-Hsiu Hsieh; Mark M. Wilde

    2010-04-09

    We give trade-offs between classical communication, quantum communication, and entanglement for processing information in the Shannon-theoretic setting. We first prove a unit-resource capacity theorem that applies to the scenario where only the above three noiseless resources are available for consumption or generation. The optimal strategy mixes the three fundamental protocols of teleportation, super-dense coding, and entanglement distribution. We then provide an achievable rate region and a matching multi-letter converse for the direct static capacity theorem. This theorem applies to the scenario where a large number of copies of a noisy bipartite state are available (in addition to consumption or generation of the above three noiseless resources). Our coding strategy involves a protocol that we name the classically-assisted state redistribution protocol and the three fundamental protocols. We finally provide an achievable rate region and a matching mutli-letter converse for the direct dynamic capacity theorem. This theorem applies to the scenario where a large number of uses of a noisy quantum channel are available in addition to the consumption or generation of the three noiseless resources. Our coding strategy combines the classically-enhanced father protocol with the three fundamental unit protocols.

  15. Ab-Initio Hamiltonian Approach to Light Nuclei And to Quantum Field Theory

    SciTech Connect (OSTI)

    Vary, J.P.; Honkanen, H.; Li, Jun; Maris, P.; Shirokov, A.M.; Brodsky, S.J.; Harindranath, A.; de Teramond, G.F.; Ng, E.G.; Yang, C.; Sosonkina, M.; /Ames Lab

    2012-06-22

    Nuclear structure physics is on the threshold of confronting several long-standing problems such as the origin of shell structure from basic nucleon-nucleon and three-nucleon interactions. At the same time those interactions are being developed with increasing contact to QCD, the underlying theory of the strong interactions, using effective field theory. The motivation is clear - QCD offers the promise of great predictive power spanning phenomena on multiple scales from quarks and gluons to nuclear structure. However, new tools that involve non-perturbative methods are required to build bridges from one scale to the next. We present an overview of recent theoretical and computational progress with a Hamiltonian approach to build these bridges and provide illustrative results for the nuclear structure of light nuclei and quantum field theory.

  16. Validating density-functional theory simulations at high energy-density conditions with liquid krypton shock experiments to 850 GPa on Sandia's Z machine

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

    Mattsson, Thomas R.; Root, Seth; Mattsson, Ann E.; Shulenburger, Luke; Magyar, Rudolph J.; Flicker, Dawn G.

    2014-11-11

    We use Sandia's Z machine and magnetically accelerated flyer plates to shock compress liquid krypton to 850 GPa and compare with results from density-functional theory (DFT) based simulations using the AM05 functional. We also employ quantum Monte Carlo calculations to motivate the choice of AM05. We conclude that the DFT results are sensitive to the quality of the pseudopotential in terms of scattering properties at high energy/temperature. A new Kr projector augmented wave potential was constructed with improved scattering properties which resulted in excellent agreement with the experimental results to 850 GPa and temperatures above 10 eV (110 kK). Inmore »conclusion, we present comparisons of our data from the Z experiments and DFT calculations to current equation of state models of krypton to determine the best model for high energy-density applications.« less

  17. Validating density-functional theory simulations at high energy-density conditions with liquid krypton shock experiments to 850 GPa on Sandia's Z machine

    SciTech Connect (OSTI)

    Mattsson, Thomas R.; Root, Seth; Mattsson, Ann E.; Shulenburger, Luke; Magyar, Rudolph J.; Flicker, Dawn G.

    2014-11-11

    We use Sandia's Z machine and magnetically accelerated flyer plates to shock compress liquid krypton to 850 GPa and compare with results from density-functional theory (DFT) based simulations using the AM05 functional. We also employ quantum Monte Carlo calculations to motivate the choice of AM05. We conclude that the DFT results are sensitive to the quality of the pseudopotential in terms of scattering properties at high energy/temperature. A new Kr projector augmented wave potential was constructed with improved scattering properties which resulted in excellent agreement with the experimental results to 850 GPa and temperatures above 10 eV (110 kK). In conclusion, we present comparisons of our data from the Z experiments and DFT calculations to current equation of state models of krypton to determine the best model for high energy-density applications.

  18. Trading classical communication, quantum communication, and entanglement in quantum Shannon theory

    E-Print Network [OSTI]

    Hsieh, Min-Hsiu

    2009-01-01

    We give optimal trade-offs between classical communication, quantum communication, and entanglement for processing information in the Shannon-theoretic setting. We first prove a "unit-resource" capacity theorem that applies to the scenario where only the above three noiseless resources are available for consumption or generation. The optimal strategy mixes the three fundamental protocols of teleportation, super-dense coding, and entanglement distribution. Furthermore, no protocol other than these three fundamental ones is necessary to generate the unit resource capacity region. We then prove the "direct static" capacity theorem that applies to the scenario where a large number of copies of a noisy bipartite state are available (in addition to consumption or generation of the above three noiseless resources). The result is that a coding strategy involving the classically-assisted mother protocol and the three fundamental protocols is optimal. We finally prove the "direct dynamic" capacity theorem. This theorem...

  19. CP(N-1) Quantum Field Theories with Alkaline-Earth Atoms in Optical Lattices

    E-Print Network [OSTI]

    C. Laflamme; W. Evans; M. Dalmonte; U. Gerber; H. Mejía-Díaz; W. Bietenholz; U. -J. Wiese; P. Zoller

    2015-07-24

    We propose a cold atom implementation to attain the continuum limit of (1+1)-d CP(N-1) quantum field theories. These theories share important features with (3+1)-d QCD, such as asymptotic freedom and $\\theta$ vacua. Moreover, their continuum limit can be accessed via the mechanism of dimensional reduction. In our scheme, the CP(N-1) degrees of freedom emerge at low energies from a ladder system of SU(N) quantum spins, where the N spin states are embodied by the nuclear Zeeman states of alkaline-earth atoms, trapped in an optical lattice. Based on Monte Carlo results, we establish that the continuum limit can be demonstrated by an atomic quantum simulation by employing the feature of asymptotic freedom. We discuss a protocol for the adiabatic state preparation of the ground state of the system, the real-time evolution of a false $\\theta$-vacuum state after a quench, and we propose experiments to unravel the phase diagram at non-zero density.

  20. CP(N-1) Quantum Field Theories with Alkaline-Earth Atoms in Optical Lattices

    E-Print Network [OSTI]

    Laflamme, C; Dalmonte, M; Gerber, U; Mejía-Díaz, H; Bietenholz, W; Wiese, U -J; Zoller, P

    2015-01-01

    We propose a cold atom implementation to attain the continuum limit of (1+1)-d CP(N-1) quantum field theories. These theories share important features with (3+1)-d QCD, such as asymptotic freedom and $\\theta$ vacua. Moreover, their continuum limit can be accessed via the mechanism of dimensional reduction. In our scheme, the CP(N-1) degrees of freedom emerge at low energies from a ladder system of SU(N) quantum spins, where the N spin states are embodied by the nuclear Zeeman states of alkaline-earth atoms, trapped in an optical lattice. Based on Monte Carlo results, we establish that the continuum limit can be demonstrated by an atomic quantum simulation by employing the feature of asymptotic freedom. We discuss a protocol for the adiabatic state preparation of the ground state of the system, the real-time evolution of a false $\\theta$-vacuum state after a quench, and we propose experiments to unravel the phase diagram at non-zero density.

  1. 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

    2011-01-01

    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, ...

  2. Charge transport, configuration interaction and Rydberg states under density functional theory

    E-Print Network [OSTI]

    Cheng, Chiao-Lun

    2008-01-01

    Density functional theory (DFT) is a computationally efficient formalism for studying electronic structure and dynamics. In this work, we develop DFT-based excited-state methods to study electron transport, Rydberg excited ...

  3. 6-dimensional Kaluza-Klein Theory for Basic Quantum Particles and Electron-Photon Interaction

    E-Print Network [OSTI]

    Xiaodong Chen

    2005-01-26

    By extending original Kaluza-Klein theory to 6-dimension, the basic quantum field equations for 0-spin particle, 1-spin particle and 1/2 spin particle with mass >0 are directly derived from 6-dimensional Einstein equations. It shows that the current quantum field equations of basic particles become pure geometry properties under 6-dimension time-space. The field equations of electron and photon can be unified in one 6-dimensional extended Maxwell equation. The equations containing interactions between electron and photon will be derived from Einstein equation under 6-dimension time-space. It shows that the interactions in QED can be considered as the effect of local geometry curvature changing instead of exchange virtual photons.

  4. Superpotentials, quantum parameter space and phase transitions in N=1 supersymmetric gauge theories

    E-Print Network [OSTI]

    Gabriel Álvarez; Luis Martínez Alonso; Elena Medina

    2013-04-08

    We study the superpotentials, quantum parameter space and phase transitions that arise in the study of large N dualities between $\\mathcal{N}=1$ SUSY U(N) gauge theories and string models on local Calabi-Yau manifolds. The main tool of our analysis is a notion of spectral curve characterized by a set of complex partial 't Hooft parameters and cuts given by projections on the spectral curve of minimal supersymmetric cycles of the underlying Calabi-Yau manifold. In particular we show how prepotentials and superpotentials can be associated to spectral curves without relying on any holomorphic matrix model. As an application, we use a combination of analytical and numerical methods to study the cubic model, determine the analytic condition satisfied by critical one-cut spectral curves, and characterize the transition curves between the one-cut and two-cut phases both in the space of spectral curves and in the quantum parameter space.

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

    E-Print Network [OSTI]

    Bostelmann, Henning

    2015-01-01

    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.

  6. Time-dependent density functional theory quantum transport simulation in non-orthogonal basis

    SciTech Connect (OSTI)

    Kwok, Yan Ho; Xie, Hang; Yam, Chi Yung; Chen, Guan Hua; Zheng, Xiao

    2013-12-14

    Basing on the earlier works on the hierarchical equations of motion for quantum transport, we present in this paper a first principles scheme for time-dependent quantum transport by combining time-dependent density functional theory (TDDFT) and Keldysh's non-equilibrium Green's function formalism. This scheme is beyond the wide band limit approximation and is directly applicable to the case of non-orthogonal basis without the need of basis transformation. The overlap between the basis in the lead and the device region is treated properly by including it in the self-energy and it can be shown that this approach is equivalent to a lead-device orthogonalization. This scheme has been implemented at both TDDFT and density functional tight-binding level. Simulation results are presented to demonstrate our method and comparison with wide band limit approximation is made. Finally, the sparsity of the matrices and computational complexity of this method are analyzed.

  7. Non-Perturbative Renormalization Flow in Quantum Field Theory and Statistical Physics

    E-Print Network [OSTI]

    Berges, J; Wetterich, C

    2002-01-01

    We review the use of an exact renormalization group equation in quantum field theory and statistical physics. It describes the dependence of the free energy on an infrared cutoff for the quantum or thermal fluctuations. Non-perturbative solutions follow from approximations to the general form of the coarse-grained free energy or effective average action. They interpolate between the microphysical laws and the complex macroscopic phenomena. Our approach yields a simple unified description for O(N)-symmetric scalar models in two, three or four dimensions, covering in particular the critical phenomena for the second-order phase transitions, including the Kosterlitz-Thouless transition and the critical behavior of polymer chains. We compute the aspects of the critical equation of state which are universal for a large variety of physical systems and establish a direct connection between microphysical and critical quantities for a liquid-gas transition. Universal features of first-order phase transitions are studie...

  8. String/Quantum Gravity motivated Uncertainty Relations and Regularisation in Field Theory

    E-Print Network [OSTI]

    Achim Kempf

    1996-12-08

    The possibility of the existence of small correction terms to the canonical commutation relations and the uncertainty relations has recently found renewed interest. In particular, such correction terms could induce finite lower bounds $\\Delta x_0, \\Delta p_0$ to the resolution of distances and/or momenta. I review a general framework for the path integral formulation of quantum field theories on such generalised geometries, and focus then on the mechanisms by which $\\Delta p_0>0$, and/or $\\Delta x_0>0$ lead to IR and/or UV regularisation.

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

    E-Print Network [OSTI]

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

    2011-08-25

    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.

  10. Dynamics of Thermal Effects in the Spin-Wave Theory of Quantum Antiferromagnets

    E-Print Network [OSTI]

    Ángel Rivas; Miguel A. Martin-Delgado

    2013-01-17

    We derive a master equation that allows us to study non-equilibrium dynamics of a quantum antiferromagnet. By resorting to spin-wave theory, we obtain a closed analytic form for the magnon decay rates. These turn out to be closely related to form factors, which are experimentally accessible by means of neutron and Raman scattering. Furthermore, we compute the time evolution of the staggered magnetization showing that, for moderate temperatures, the magnetic order is not spoiled even if the coupling is fully isotropic.

  11. Instantaneous measurements of nonlocal variables in relativistic quantum theory (a review)

    E-Print Network [OSTI]

    Matthew J. Lake

    2015-05-17

    This article reviews six historically important papers in the development of the theory of measurement for nonlocal variables in quantum mechanics, with special emphasis the non violation of relativistic causality. Spanning more than seventy years, we chart the major developments in the field from the declaration, by Landau and Peierls in 1931, that measurement of nonlocal variables was impossible in the relativistic regime to the demonstration, by Vaidman in 2003, that all such variables \\emph{can} be measured instantaneously without violation of causality through an appropriate act of "measurement", albeit not of a standard projective (Von Neumann) type.

  12. Quantum Field Theory Approach to the Optical Conductivity of Strained and Deformed Graphene

    E-Print Network [OSTI]

    W. de Paula; a. Chaves; O. Oliveira; T. Frederico

    2015-11-25

    The computation of the optical conductivity of strained and deformed graphene is discussed within the framework of quantum field theory in curved spaces. The analytical solutions of the Dirac equation in an arbitrary static background geometry for one dimensional periodic deformations are computed, together with the corresponding Dirac propagator. Analytical expressions are given for the optical conductivity of strained and deformed graphene associated with both intra and interbrand transitions. The special case of small deformations is discussed and the result compared to the prediction of the tight-binding model.

  13. Quantum Field Theory Approach to the Optical Conductivity of Strained and Deformed Graphene

    E-Print Network [OSTI]

    de Paula, W; Oliveira, O; Frederico, T

    2015-01-01

    The computation of the optical conductivity of strained and deformed graphene is discussed within the framework of quantum field theory in curved spaces. The analytical solutions of the Dirac equation in an arbitrary static background geometry for one dimensional periodic deformations are computed, together with the corresponding Dirac propagator. Analytical expressions are given for the optical conductivity of strained and deformed graphene associated with both intra and interbrand transitions. The special case of small deformations is discussed and the result compared to the prediction of the tight-binding model.

  14. Thermalization and possible quantum relaxation times in "classical" fluids: theory and experiment

    E-Print Network [OSTI]

    Z. Nussinov; F. Nogueira; M. Blodgett; K. F. Kelton

    2015-09-07

    Quantum effects in material systems are often pronounced at low energies and become insignificant at high temperatures. We find that, perhaps counterintuitively, certain quantum effects may follow the opposite route and become sharp when extrapolated to high temperature within a "classical" liquid phase. In the current work, we suggest basic quantum bounds on relaxation (and thermalization) times, examine kinetic theory by taking into account such possible fundamental quantum time scales, find new general equalities connecting semi-classical dynamics and thermodynamics to Planck's constant, and compute current correlation functions. Our analysis suggests that, on average, the extrapolated high temperature dynamical viscosity of general liquids may tend to a value set by the product of the particle number density ${\\sf n}$ and Planck's constant $h$. We compare this theoretical result with experimental measurements of an ensemble of 23 metallic fluids where this seems to indeed be the case. The extrapolated high temperature viscosity of each of these liquids $\\eta$ divided (for each respective fluid by its value of ${\\sf n} h$) veers towards a Gaussian with an ensemble average value that is close to unity up to an error of size $0.6 \\%$. Inspired by the Eigenstate Thermalization Hypothesis, we suggest a relation between the lowest equilibration temperature to the melting or liquidus temperature and discuss a possible corollary concerning the absence of finite temperature "ideal glass" transitions. We suggest a general quantum mechanical derivation for the viscosity of glasses at general temperatures. We invoke similar ideas to discuss other transport properties and demonstrate how simple behaviors including resistivity saturation and linear $T$ resistivity may appear very naturally. Our approach suggests that minimal time lags may be present in fluid dynamics.

  15. Fractional Quantum Hall Filling Factors from String Theory using Toric Geometry

    E-Print Network [OSTI]

    Belhaj, A; Idrissi, M El; Manaut, B; Sebbar, A; Sedra, M B

    2015-01-01

    Using toric Cartan matrices as abelian gauge charges, we present a class of stringy fractional quantum Hall effect (FQHE) producing some recent experimental observed filling factor values. More precisely, we derive the corresponding Chern-Simons type models from M-theory compactified on four complex dimensional hyper-K\\"{a}hler manifolds X^4. These manifolds, which are viewed as target spaces of a particular N=4 sigma model in two dimensions, are identified with the cotangent bundles over intersecting 2-dimensional toric varieties V_i^2 according to toric Cartan matrices. Exploring results of string dualities, the presented FQHE can be obtained from D6-banes wrapping on such intersecting toric varieties interacting with R-R gauge fields. This string theory realization provides a geometric interpretation of the filling factors in terms of toric and Euler characteristic topological data of the compactified geometry. Concretely, explicit bilayer models are worked out in some details.

  16. D-branes and Non-Perturbative Quantum Field Theory: Stringy Instantons and Strongly Coupled Spintronics

    E-Print Network [OSTI]

    Daniele Musso

    2012-10-20

    The non-perturbative dynamics of quantum field theories is studied using theoretical tools inspired by string formalism. Two main lines are developed: the analysis of stringy instantons in a class of four-dimensional N=2 gauge theories and the holographic study of the minimal model for a strongly coupled unbalanced superconductor. The field theory instanton calculus admits a natural and efficient description in terms of D-brane models. In addition, the string viewpoint offers the possibility of generalizing the ordinary instanton configurations. Even though such generalized, or stringy, instantons would be absent in a purely field-theoretical, low-energy treatment, we demonstrate that they do alter the IR effective description of the brane dynamics by introducing contributions related to the string scale. In the first part of this thesis we compute explicitly the stringy instanton corrections to the effective prepotential in a class of quiver gauge theories. In the second part of the thesis, we present a detailed analysis of the minimal holographic setup yielding an effective description of a superconductor with two Abelian currents. The model contains a scalar field whose condensation produces a spontaneous symmetry breaking which describes the transition to a superfluid phase. This system has important applications in both QCD and condensed matter physics; moreover, it allows us to study mixed electric-spin transport properties (i.e. spintronics) at strong coupling.

  17. The basic Leggett inequalities don't contradict the quantum theory, neither the classical physics

    E-Print Network [OSTI]

    Sofia Wechsler

    2009-12-21

    The basic Leggett inequalities, i.e. those inequalities in which the particular assumptions of Leggett's hidden-variable model (e.g. Malus law) were not yet introduced, are usually derived using hidden-variable distributions of probabilities (although in some cases completely general, positive probabilities would lead to the same result). This fact creates sometimes the illusion that these basic inequalities are a belonging of the hidden-variable theories and are bound to contradict the quantum theory. In the present text the basic Leggett inequalities are derived in the most general way, i.e. no assumption is made that the distribution of probabilities would result from some wave function, or from some set of classical variables. The consequence is that as long as one and the same probability distribution is used in the calculus of all the averages appearing in the basic Leggett inequalities, no contradiction may occur. These inequalities may be violated only when different averages are calculated with different distributions, for example, some of them calculated with the quantum formalism and the others with some distribution of classical parameters.

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

    E-Print Network [OSTI]

    Manfred Requardt

    2004-03-17

    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.

  19. The Computational Status of Physics: A Computable Formulation of Quantum Theory

    E-Print Network [OSTI]

    Mike Stannett

    2008-11-10

    According to the Church-Turing Thesis (CTT), effective formal behaviours can be simulated by Turing machines; this has naturally led to speculation that physical systems can also be simulated computationally. But is this wider claim true, or do behaviours exist which are strictly hypercomputational? Several idealised computational models are known which suggest the possibility of hypercomputation, some Newtonian, some based on cosmology, some on quantum theory. While these models' physicality is debatable, they nonetheless throw into question the validity of extending CTT to include all physical systems. We consider the physicality of hypercomputational behaviour from first principles, by showing that quantum theory can be reformulated in a way that explains why physical behaviours can be regarded as 'computing something' in the standard computational state-machine sense. While this does not rule out the physicality of hypercomputation, it strongly limits the forms it can take. Our model also has physical consequences; in particular, the continuity of motion and arrow of time become theorems within the basic model.

  20. The Slicing Theory of Quantum Measurement: Derivation of Transient Many Worlds Behavior

    E-Print Network [OSTI]

    Clifford Chafin

    2015-03-01

    An emergent theory of quantum measurement arises directly by considering the particular subset of many body wavefunctions that can be associated with classical condensed matter and its interaction with delocalized wavefunctions. This transfers questions of the "strangeness" of quantum mechanics from the wavefunction to the macroscopic material itself. An effectively many-worlds picture of measurement results for long times and induces a natural arrow of time. The challenging part is then justifying why our macroscopic world is dominated by such far-from-eigenstate matter. Condensing cold mesoscopic clusters provide a pathway to a partitioning of a highly correlated many body wavefunction to long lasting islands composed of classical-like bodies widely separated in Fock space. Low mass rapidly delocalizing matter that recombines with the solids "slice" the system into a set of nearby yet very weakly interacting subsystems weighted according to the Born statistics and yields a kind of many worlds picture but with the possibility of revived phase interference on iterative particle desorption, delocalization and readsorption. A proliferation of low energy photons competes with such a possibility. Causality problems associated with correlated quantum measurement are resolved and conserved quantities are preserved for the overall many body function despite their failure in each observer's bifurcating "slice-path." The necessity of such a state for a two state logic and reliable discrete state machine suggests that later stages of the universe's evolution will destroy the physical underpinnings required for consciousness and the arrow of time even without heat-death or atomic destruction. Some exotic possibilities outside the domain of usual quantum measurement are considered such as measurement with delocalized devices and revival of information from past measurements.

  1. Exact results in N=8 Chern-Simons-matter theories and quantum geometry

    E-Print Network [OSTI]

    Santiago Codesido; Alba Grassi; Marcos Marino

    2015-06-25

    We show that, in ABJ(M) theories with N=8 supersymmetry, the non-perturbative sector of the partition function on the three-sphere simplifies drastically. Due to this simplification, we are able to write closed form expressions for the grand potential of these theories, which determines the full large N asymptotics. Moreover, we find explicit formulae for the generating functionals of their partition functions, for all values of the rank N of the gauge group: they involve Jacobi theta functions on the spectral curve associated to the planar limit. Exact quantization conditions for the spectral problem of the Fermi gas are then obtained from the vanishing of the theta function. We also show that the partition function, as a function of N, can be extended in a natural way to an entire function on the full complex plane, and we explore some possible consequences of this fact for the quantum geometry of M-theory and for putative de Sitter extensions.

  2. Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory

    SciTech Connect (OSTI)

    Demján, Tamás; Vörös, Márton; Palummo, Maurizia; Gali, Adam

    2014-08-14

    Diamondoids are small diamond nanoparticles (NPs) that are built up from diamond cages. Unlike usual semiconductor NPs, their atomic structure is exactly known, thus they are ideal test-beds for benchmarking quantum chemical calculations. Their usage in spintronics and bioimaging applications requires a detailed knowledge of their electronic structure and optical properties. In this paper, we apply density functional theory (DFT) based methods to understand the electronic and optical properties of a few selected pure and modified diamondoids for which accurate experimental data exist. In particular, we use many-body perturbation theory methods, in the G{sub 0}W{sub 0} and G{sub 0}W{sub 0}+BSE approximations, and time-dependent DFT in the adiabatic local density approximation. We find large quasiparticle gap corrections that can exceed thrice the DFT gap. The electron-hole binding energy can be as large as 4 eV but it is considerably smaller than the GW corrections and thus G{sub 0}W{sub 0}+BSE optical gaps are about 50% larger than the Kohn-Sham (KS) DFT gaps. We find significant differences between KS time-dependent DFT and GW+BSE optical spectra on the selected diamondoids. The calculated G{sub 0}W{sub 0} quasiparticle levels agree well with the corresponding experimental vertical ionization energies. We show that nuclei dynamics in the ionization process can be significant and its contribution may reach about 0.5 eV in the adiabatic ionization energies.

  3. Self-Consistent Projection Operator Theory in Nonlinear Quantum Optical Systems: A case study on Degenerate Optical Parametric Oscillators

    E-Print Network [OSTI]

    Peter Degenfeld-Schonburg; Carlos Navarrete-Benlloch; Michael J. Hartmann

    2015-03-11

    Nonlinear quantum optical systems are of paramount relevance for modern quantum technologies, as well as for the study of dissipative phase transitions. Their nonlinear nature makes their theoretical study very challenging and hence they have always served as great motivation to develop new techniques for the analysis of open quantum systems. In this article we apply the recently developed self-consistent projection operator theory to the degenerate optical parametric oscillator to exemplify its general applicability to quantum optical systems. We show that this theory provides an efficient method to calculate the full quantum state of each mode with high degree of accuracy, even at the critical point. It is equally successful in describing both the stationary limit and the dynamics, including regions of the parameter space where the numerical integration of the full problem is significantly less efficient. We further develop a Gaussian approach consistent with our theory, which yields sensibly better results than the previous Gaussian methods developed for this system, most notably standard linearization techniques.

  4. ATLAS: A Real-Space Finite-Difference Implementation of Orbital-Free Density Functional Theory

    E-Print Network [OSTI]

    Wenhui Mi; Xuecheng Shao; Chuanxun Su; Yuanyuan Zhou; Shoutao Zhang; Quan Li; Hui Wang; Lijun Zhang; Maosheng Miao; Yanchao Wang; Yanming Ma

    2015-07-28

    Orbital-free density functional theory (OF-DFT) is a promising method for large-scale quantum mechanics simulation as it provides a good balance of accuracy and computational cost. Its applicability to large-scale simulations has been aided by progress in constructing kinetic energy functionals and local pseudopotentials. However, the widespread adoption of OF-DFT requires further improvement in its efficiency and robustly implemented software. Here we develop a real-space finite-difference method for the numerical solution of OF-DFT in periodic systems. Instead of the traditional self-consistent method, a powerful scheme for energy minimization is introduced to solve the Euler--Lagrange equation. Our approach engages both the real-space finite-difference method and a direct energy-minimization scheme for the OF-DFT calculations. The method is coded into the ATLAS software package and benchmarked using periodic systems of solid Mg, Al, and Al$_{3}$Mg. The test results show that our implementation can achieve high accuracy, efficiency, and numerical stability for large-scale simulations.

  5. ATLAS: A Real-Space Finite-Difference Implementation of Orbital-Free Density Functional Theory

    E-Print Network [OSTI]

    Mi, Wenhui; Sua, Chuanxun; Zhoua, Yuanyuan; Zhanga, Shoutao; Lia, Quan; Wanga, Hui; Zhang, Lijun; Miao, Maosheng; Wanga, Yanchao; Ma, Yanming

    2015-01-01

    Orbital-free density functional theory (OF-DFT) is a promising method for large-scale quantum mechanics simulation as it provides a good balance of accuracy and computational cost. Its applicability to large-scale simulations has been aided by progress in constructing kinetic energy functionals and local pseudopotentials. However, the widespread adoption of OF-DFT requires further improvement in its efficiency and robustly implemented software. Here we develop a real-space finite-difference method for the numerical solution of OF-DFT in periodic systems. Instead of the traditional self-consistent method, a powerful scheme for energy minimization is introduced to solve the Euler--Lagrange equation. Our approach engages both the real-space finite-difference method and a direct energy-minimization scheme for the OF-DFT calculations. The method is coded into the ATLAS software package and benchmarked using periodic systems of solid Mg, Al, and Al$_{3}$Mg. The test results show that our implementation can achieve ...

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

    E-Print Network [OSTI]

    Jerzy Lewandowski; Thomas Thiemann

    1999-01-07

    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.

  7. Theory of diatomic molecules in an external electromagnetic field from first quantum mechanical principles

    E-Print Network [OSTI]

    Sindelka, M; Sindelka, Milan; Moiseyev, Nimrod

    2006-01-01

    We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to a variety of specific applications. Such as, alignment or orientation of molecules by lasers, trapping of ultracold molecules in optical traps, molecular optics and interferometry, rovibrational spectroscopy of molecules in the presence of intense laser light, or generation of high order harmonics from molecules. Starting from the first quantum mechanical principles, we derive an appropriate molecular Hamiltonian suitable for description of the center of mass, rotational, vibrational and electronic molecular motions driven by the field within the electric dipole approximation. Consequently, the concept of the Born-Oppenheimer separation between the electronic and the nuclear degrees of freedom in the presence of an electromagnetic field is introduced. Special cases of the d...

  8. One-loop calculations in quantum field theory: from Feynman diagrams to unitarity cuts

    SciTech Connect (OSTI)

    Ellis, R. Keith [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States); Kunszt, Zoltan [Institute for Theoretical Physics (Switzerland); Melnikov, Kirill [Johns Hopkins Univ., Baltimore, MD (United States); Zanderighi, Giulia [Rudolf Peierls Centre for Theoretical Physics (United Kingdom)

    2012-09-01

    The success of the experimental program at the Tevatron re-inforced the idea that precision physics at hadron colliders is desirable and, indeed, possible. The Tevatron data strongly suggests that one-loop computations in QCD describe hard scattering well. Extrapolating this observation to the LHC, we conclude that knowledge of many short-distance processes at next-to-leading order may be required to describe the physics of hard scattering. While the field of one-loop computations is quite mature, parton multiplicities in hard LHC events are so high that traditional computational techniques become inefficient. Recently new approaches based on unitarity have been developed for calculating one-loop scattering amplitudes in quantum field theory. These methods are especially suitable for the description of multi-particle processes in QCD and are amenable to numerical implementations. We present a systematic pedagogical description of both conceptual and technical aspects of the new methods.

  9. 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

    2014-03-28

    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.

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

    E-Print Network [OSTI]

    Fedor Herbut

    2014-12-25

    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.

  11. 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 ...

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

    E-Print Network [OSTI]

    Adil Belhaj; Antonio Segui

    2010-07-02

    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.

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

    E-Print Network [OSTI]

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

    2014-10-17

    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.

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

    E-Print Network [OSTI]

    Kar, Arnab

    2012-01-01

    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 ...

  15. 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

    2015-01-01

    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.

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

    E-Print Network [OSTI]

    Alfredo Iorio; Gaetano Lambiase

    2014-12-15

    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.

  17. Using DFT Methods to Study Activators in Optical Materials Du...

    Office of Scientific and Technical Information (OSTI)

    Using DFT Methods to Study Activators in Optical Materials Du, Mao-Hua ORNL Oak Ridge National Laboratory (ORNL) ORNL work for others; SC USDOE - Office of Science (SC) United...

  18. New scenario for transition to slow turbulence. Turbulence like quantum chaos in three dimensional model of Euclidian quantum field theory

    E-Print Network [OSTI]

    Foukzon, Jaykov

    2008-01-01

    Advanced numerical-analytical study of the three-dimensional nonlinear stochastic partial differential equation, analogous to that proposed by V. N. Nikolaevski to describe longitudinal seismic waves, is presented. The equation has a threshold of short-wave instability and symmetry, providing long-wave dynamics. Proposed new mechanism for quantum "super chaos" generating in nonlinear dynamical systems. The hypothesis is said, that strong physical turbulence could be identified with quantum chaos of considered type.

  19. Global coherence of quantum evolutions based on decoherent histories: theory and application to photosynthetic quantum energy transport

    E-Print Network [OSTI]

    Michele Allegra; Paolo Giorda; Seth Lloyd

    2015-03-18

    In this paper we address the problem of charaterizing coherence in dissipative (Markovian) quantum evolutions. We base our analysis on the decoherent histories formalism which is the most basic and proper approach to assess coherence properties of quantum evolutions. We introduce and test different quantifiers and we show how these are able to capture the (average) coherence of general quantum evolutions on various time scales and for different levels of environmentally induced decoherence. In order to show the effectiveness of the introduced tools, we thoroughly apply them to a paradigmatic instance of quantum process where the role of coherence is being hotly debated: exciton transport in the FMO photosynthetic complex and its most relevant trimeric subunit. Our analysis illustrates how the high efficiency of environmentally assisted transport can be traced back to the coherence properties of the evolution and the interference between pathways in the decoherent histories formalism. Indeed, we show that the bath essentially implements a quantum recoil avoiding effect on the exciton dynamics: the action of decoherence in the system is set at precisely the right level needed to preserve and sustain the benefits of the fast initial quantum delocalization of the exciton over the network, while preventing the subsequent recoil that would necessarily follow form a purely coherent dynamics. This picture becomes very clear when expressed in terms of pathways leading to the exit site: the action of the bath is seen to selectively kill the negative interference between pathways, while retaining the intial positive one.

  20. Temperature Dependent Magnon-Phonon Coupling in bcc Fe from Theory and Experiment

    E-Print Network [OSTI]

    Tai, Yu-Chong

    - actions in bcc Fe. Parameter-free electronic structure calculations like den- sity functional theory (DFT moments (DLM) molecular dynamics [1], magnetic empirical poten- tials [2

  1. It may be true that at ,mes the behavior of quantum objects (photons or electrons) may seem strange and mysterious to us, but the theory of quantum mechanics itself

    E-Print Network [OSTI]

    Colorado at Boulder, University of

    or electrons) may seem strange and mysterious to us, but the theory of quantum the ability to work with a single atom, or a single photon or electron with electrons. As it's usually described in introductory textbooks, we represent

  2. Twisted conformal symmetry in noncommutative two-dimensional quantum field theory

    SciTech Connect (OSTI)

    Lizzi, Fedele; Vitale, Patrizia; Vaidya, Sachindeo

    2006-06-15

    By twisting the commutation relations between creation and annihilation operators, we show that quantum conformal invariance can be implemented in the 2-d Moyal plane. This is an explicit realization of an infinite dimensional symmetry as a quantum algebra.

  3. Theory of diatomic molecules in an external electromagnetic field from first quantum mechanical principles

    E-Print Network [OSTI]

    Milan Sindelka; Nimrod Moiseyev

    2006-01-29

    We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to a variety of specific applications. Such as, alignment or orientation of molecules by lasers, trapping of ultracold molecules in optical traps, molecular optics and interferometry, rovibrational spectroscopy of molecules in the presence of intense laser light, or generation of high order harmonics from molecules. Starting from the first quantum mechanical principles, we derive an appropriate molecular Hamiltonian suitable for description of the center of mass, rotational, vibrational and electronic molecular motions driven by the field within the electric dipole approximation. Consequently, the concept of the Born-Oppenheimer separation between the electronic and the nuclear degrees of freedom in the presence of an electromagnetic field is introduced. Special cases of the dc/ac field limits are then discussed separately. Finally, we consider a perturbative regime of a weak dc/ac field, and obtain simple analytic formulas for the associated Born-Oppenheimer translational/rotational/vibrational molecular Hamiltonian.

  4. Optimal control of open quantum systems: A combined surrogate Hamiltonian optimal control theory approach applied to photochemistry on surfaces

    SciTech Connect (OSTI)

    Asplund, Erik; Kluener, Thorsten [Institut fuer Reine und Angewandte Chemie, Carl von Ossietzky Universitaet Oldenburg, Postfach 2503, D-26111 Oldenburg (Germany)

    2012-03-28

    In this paper, control of open quantum systems with emphasis on the control of surface photochemical reactions is presented. A quantum system in a condensed phase undergoes strong dissipative processes. From a theoretical viewpoint, it is important to model such processes in a rigorous way. In this work, the description of open quantum systems is realized within the surrogate Hamiltonian approach [R. Baer and R. Kosloff, J. Chem. Phys. 106, 8862 (1997)]. An efficient and accurate method to find control fields is optimal control theory (OCT) [W. Zhu, J. Botina, and H. Rabitz, J. Chem. Phys. 108, 1953 (1998); Y. Ohtsuki, G. Turinici, and H. Rabitz, J. Chem. Phys. 120, 5509 (2004)]. To gain control of open quantum systems, the surrogate Hamiltonian approach and OCT, with time-dependent targets, are combined. Three open quantum systems are investigated by the combined method, a harmonic oscillator immersed in an ohmic bath, CO adsorbed on a platinum surface, and NO adsorbed on a nickel oxide surface. Throughout this paper, atomic units, i.e., ({Dirac_h}/2{pi})=m{sub e}=e=a{sub 0}= 1, have been used unless otherwise stated.

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

    E-Print Network [OSTI]

    Oshmyansky, A

    2007-01-01

    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...

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

    E-Print Network [OSTI]

    Alexander Oshmyansky

    2007-03-08

    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.

  7. Pair production in a strong electric field: an initial value problem in quantum field theory

    E-Print Network [OSTI]

    Y. Kluger; J. M. Eisenberg; B. Svetitsky

    2003-11-23

    We review recent achievements in the solution of the initial-value problem for quantum back-reaction in scalar and spinor QED. The problem is formulated and solved in the semiclassical mean-field approximation for a homogeneous, time-dependent electric field. Our primary motivation in examining back-reaction has to do with applications to theoretical models of production of the quark-gluon plasma, though we here address practicable solutions for back-reaction in general. We review the application of the method of adiabatic regularization to the Klein-Gordon and Dirac fields in order to renormalize the expectation value of the current and derive a finite coupled set of ordinary differential equations for the time evolution of the system. Three time scales are involved in the problem and therefore caution is needed to achieve numerical stability for this system. Several physical features, like plasma oscillations and plateaus in the current, appear in the solution. From the plateau of the electric current one can estimate the number of pairs before the onset of plasma oscillations, while the plasma oscillations themselves yield the number of particles from the plasma frequency. We compare the field-theory solution to a simple model based on a relativistic Boltzmann-Vlasov equation, with a particle production source term inferred from the Schwinger particle creation rate and a Pauli-blocking (or Bose-enhancement) factor. This model reproduces very well the time behavior of the electric field and the creation rate of charged pairs of the semiclassical calculation. It therefore provides a simple intuitive understanding of the nature of the solution since nearly all the physical features can be expressed in terms of the classical distribution function.

  8. Photodissociation in quantum chaotic systems: Random-matrix theory of cross-section fluctuations

    SciTech Connect (OSTI)

    Fyodorov, Y.V. [Fachbereich Physik, Universitaet-GH Essen, D-45117 Essen (Germany)] [Fachbereich Physik, Universitaet-GH Essen, D-45117 Essen (Germany); Alhassid, Y. [Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, Connecticut 06520 (United States)] [Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, Connecticut 06520 (United States)

    1998-11-01

    Using the random matrix description of open quantum chaotic systems we calculate in closed form the universal autocorrelation function and the probability distribution of the total photodissociation cross section in the regime of quantum chaos. {copyright} {ital 1998} {ital The American Physical Society}

  9. Towards a Complete Topological Quantum Field Theory Description for Bosonic Symmetry-Protected-Topological Phases with Abelian Symmetry in Three Dimensions

    E-Print Network [OSTI]

    Ye, Peng

    2015-01-01

    Topological quantum field theory (TQFT) plays a very important role in understanding topological phases of quantum matter. For example, Chern-Simons theory reveals the key mechanism of charge-flux attachment for fractional quantum hall effect (FQHE). It also completely describes all the essential topological data, e.g., fractionalized statistics, fractionalized charge of quasiparticles in FQHE sytems. Very recently, a new class of topological phases -- symmetry-protected topological (SPT) phases in interacting bosonic systems has been proposed based on the (extended) group cohomology theory. In two dimensions, it has been shown that bosonic SPT phases with Abelian symmetry can be well understood in terms of Chern-Simons theory. In this paper, we attempt to achieve a complete TQFT description for all bosonic SPT phases with Abelian group symmetry in three dimensions. The TQFT description reveals the key mechanism for three dimensional bosonic SPT phases in a simple and intuitive way.

  10. Quantum field theory treatment of magnetic effects on the spin and orbital angular momentum of a free electron

    E-Print Network [OSTI]

    P. Kurian; C. Verzegnassi

    2015-08-01

    We consider in a quantum field theory framework the effects of a classical magnetic field on the spin and orbital angular momentum (OAM) of a free electron. We derive formulae for the changes in the spin and OAM due to the introduction of a general classical background field. We consider then a constant magnetic field, in which case the relevant expressions of the effects become much simpler and conversions between spin and OAM become readily apparent. An estimate of the expectation values for a realistic electron state is also given. Our findings may be of interest to researchers in spintronics and the field of quantum biology, where electron spin has been implicated on macroscopic time and energy scales.

  11. Quantum Thermodynamics

    E-Print Network [OSTI]

    Ronnie Kosloff

    2013-05-10

    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.

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

    SciTech Connect (OSTI)

    Kosar, B. Albayrak, C.; Odabasoglu, M.; Bueyuekguengoer, O.

    2010-12-15

    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.

  13. The study of Lorenz and Rössler strange attractors by means of quantum theory

    E-Print Network [OSTI]

    Yu. I. Bogdanov; N. A. Bogdanova

    2014-12-28

    We have developed a method for complementing an arbitrary classical dynamical system to a quantum system using the Lorenz and R\\"ossler systems as examples. The Schr\\"odinger equation for the corresponding quantum statistical ensemble is described in terms of the Hamilton-Jacobi formalism. We consider both the original dynamical system in the position space and the conjugate dynamical system corresponding to the momentum space. Such simultaneous consideration of mutually complementary position and momentum frameworks provides a deeper understanding of the nature of chaotic behavior in dynamical systems. We have shown that the new formalism provides a significant simplification of the Lyapunov exponents calculations. From the point of view of quantum optics, the Lorenz and R\\"ossler systems correspond to three modes of a quantized electromagnetic field in a medium with cubic nonlinearity. From the computational point of view, the new formalism provides a basis for the analysis of complex dynamical systems using quantum computers.

  14. Dicke Quantum Spin and Photon Glass in Optical Cavities: Non-equilibrium theory and experimental signatures

    E-Print Network [OSTI]

    of the atomic spin glass physics onto a "photon glass" makes it possible to detect the glass state by standard theme in the research on strongly correlated ultracold atoms is the creation of quantum soft matter

  15. Ab initio molecular dynamics with nuclear quantum effects at classical cost: ring polymer contraction for density functional theory

    E-Print Network [OSTI]

    Marsalek, Ondrej

    2015-01-01

    Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding as a reference system, we show that our ab initio ring polymer contraction (AI-RPC) scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive pro...

  16. Million Atom KS-DFT with CP2K 

    E-Print Network [OSTI]

    Bethune, Iain; Carter, Adam; Guo, Xu; Korosoglou, Paschalis

    2011-01-01

    CP2K is a powerful materials science and computational chemistry code and is widely used by research groups across Europe and beyond. The recent addition of a linear scaling KS-DFT method within the code has made it possible to simulate systems...

  17. A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations

    SciTech Connect (OSTI)

    Shimojo, Fuyuki; Hattori, Shinnosuke [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States) [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan); Kalia, Rajiv K.; Mou, Weiwei; Nakano, Aiichiro; Nomura, Ken-ichi; Rajak, Pankaj; Vashishta, Priya [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States)] [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Kunaseth, Manaschai [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States) [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); National Nanotechnology Center, Pathumthani 12120 (Thailand); Ohmura, Satoshi [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States) [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan); Department of Physics, Kyoto University, Kyoto 606-8502 (Japan); Shimamura, Kohei [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States) [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan); Department of Applied Quantum Physics and Nuclear Engineering, Kyushu University, Fukuoka 819-0395 (Japan)

    2014-05-14

    We introduce an extension of the divide-and-conquer (DC) algorithmic paradigm called divide-conquer-recombine (DCR) to perform large quantum molecular dynamics (QMD) simulations on massively parallel supercomputers, in which interatomic forces are computed quantum mechanically in the framework of density functional theory (DFT). In DCR, the DC phase constructs globally informed, overlapping local-domain solutions, which in the recombine phase are synthesized into a global solution encompassing large spatiotemporal scales. For the DC phase, we design a lean divide-and-conquer (LDC) DFT algorithm, which significantly reduces the prefactor of the O(N) computational cost for N electrons by applying a density-adaptive boundary condition at the peripheries of the DC domains. Our globally scalable and locally efficient solver is based on a hybrid real-reciprocal space approach that combines: (1) a highly scalable real-space multigrid to represent the global charge density; and (2) a numerically efficient plane-wave basis for local electronic wave functions and charge density within each domain. Hybrid space-band decomposition is used to implement the LDC-DFT algorithm on parallel computers. A benchmark test on an IBM Blue Gene/Q computer exhibits an isogranular parallel efficiency of 0.984 on 786?432 cores for a 50.3 × 10{sup 6}-atom SiC system. As a test of production runs, LDC-DFT-based QMD simulation involving 16?661 atoms is performed on the Blue Gene/Q to study on-demand production of hydrogen gas from water using LiAl alloy particles. As an example of the recombine phase, LDC-DFT electronic structures are used as a basis set to describe global photoexcitation dynamics with nonadiabatic QMD (NAQMD) and kinetic Monte Carlo (KMC) methods. The NAQMD simulations are based on the linear response time-dependent density functional theory to describe electronic excited states and a surface-hopping approach to describe transitions between the excited states. A series of techniques are employed for efficiently calculating the long-range exact exchange correction and excited-state forces. The NAQMD trajectories are analyzed to extract the rates of various excitonic processes, which are then used in KMC simulation to study the dynamics of the global exciton flow network. This has allowed the study of large-scale photoexcitation dynamics in 6400-atom amorphous molecular solid, reaching the experimental time scales.

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

    E-Print Network [OSTI]

    Denis Bashkirov

    2011-08-20

    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.

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

    E-Print Network [OSTI]

    Michele Campisi; Jukka Pekola; Rosario Fazio

    2014-12-02

    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.

  20. The quantum theory of scalar fields on the de Sitter expanding universe

    E-Print Network [OSTI]

    Ion I. Cotaescu; Cosmin Crucean; Adrian Pop

    2008-02-14

    New quantum modes of the free scalar field are derived in a special time-evolution picture that may be introduced in moving charts of de Sitter backgrounds. The wave functions of these new modes are solutions of the Klein-Gordon equation and energy eigenfunctions, defining the energy basis. This completes the scalar quantum mechanics where the momentum basis is well-known from long time. In this enlarged framework the quantization of the scalar field can be done in canonical way obtaining the principal conserved one-particle operators and the Green functions.

  1. Dispersive and dissipative effects in quantum field theory in curved space-time to model condensed matter systems

    E-Print Network [OSTI]

    Xavier Busch

    2014-11-06

    The two main predictions of quantum field theory in curved space-time, namely Hawking radiation and cosmological pair production, have not been directly tested and involve ultra high energy configurations. As a consequence, they should be considered with caution. Using the analogy with condensed matter systems, their analogue versions could be tested in the lab. Moreover, the high energy behavior of these systems is known and involves dispersion and dissipation, which regulate the theory at short distances. When considering experiments which aim to test the above predictions, there will also be a competition between the stimulated emission from thermal noise and the spontaneous emission out of vacuum. In order to measure these effects, one should thus compute the consequences of UV dispersion and dissipation, and identify observables able to establish that the spontaneous emission took place. In this thesis, we first analyze the effects of dispersion and dissipation on both Hawking radiation and pair particle production. To get explicit results, we work in the context of de Sitter space. Using the extended symmetries of the theory in such a background, exact results are obtained. These are then transposed to the context of black holes using the correspondence between de Sitter space and the black hole near horizon region. To introduce dissipation, we consider an exactly solvable model producing any decay rate. We also study the quantum entanglement of the particles so produced. In a second part, we consider explicit condensed matter systems, namely Bose Einstein condensates and exciton-polariton systems. We analyze the effects of dissipation on entanglement produced by the dynamical Casimir effect. As a final step, we study the entanglement of Hawking radiation in the presence of dispersion for a generic analogue system.

  2. Hawking radiation correlations in Bose-Einstein condensates using quantum field theory in curved space

    E-Print Network [OSTI]

    Anderson, Paul R.

    space Paul R. Anderson* Department of Physics, Wake Forest University, Winston-Salem, North Carolina the validity of the approximation used, provided the profile of the flow varies smoothly on scales compared fluctuations are converted into real on shell quanta. One quantum (the positive energy one) is emitted outside

  3. Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for HartreeFock and density functional theory

    E-Print Network [OSTI]

    Beylkin, Gregory

    Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree An efficient and accurate analytic gradient method is presented for Hartree­Fock and density functional differential equations. In this paper, we extend the approach to include computation of analytic derivatives

  4. Can we advance macroscopic quantum systems outside the framework of complex decoherence theory?

    E-Print Network [OSTI]

    Mark E. Brezinski; Maria Rupnick

    2013-12-30

    Macroscopic quantum systems (MQS) are macroscopic systems driven by quantum rather than classical mechanics, a long studied area with minimal success till recently. Harnessing the benefits of quantum mechanics on a macroscopic level would revolutionize fields ranging from telecommunication to biology, the latter focused on here for reasons discussed. Contrary to misconceptions, there are no known physical laws that prevent the development of MQS. Instead, they are generally believed universally lost in complex systems from environmental entanglements (decoherence). But we argue success is achievable MQS with decoherence compensation developed, naturally or artificially, from top-down rather current reductionist approaches. This paper advances the MQS field by a complex systems approach to decoherence. First, why complex system decoherence approaches (top-down) are needed is discussed. Specifically, complex adaptive systems (CAS) are not amenable to reductionist models (and their master equations) because of emergent behavior, approximation failures, not accounting for quantum compensator mechanisms, ignoring path integrals, and the subentity problem. In addition, since MQS must exist within the context of the classical world, rapid decoherence and prolonged coherence are both needed. Nature has already demonstrated this for quantum subsystems such as photosynthesis and magnetoreception. Second, we perform a preliminary study that illustrates a top-down approach to potential MQS. In summary, reductionist arguments against MQS are not justifiable. It is more likely they are not easily detectable in large intact classical systems or has been destroyed by reductionist experimental set-ups. This complex systems decoherence approach, using top down investigations, is critical to paradigm shifts in MQS research both in biological and non-biological systems.

  5. A Computational Investigation of the Catalytic Properties of Graphene Oxide: Exploring Mechanisms Using DFT Methods

    E-Print Network [OSTI]

    Boukhvalov, Danil W; Bielawski, Christopher W; Son, Young-Woo

    2012-01-01

    Here we describe a computational study undertaken in an effort to elucidate the reaction mechanisms behind the experimentally observed oxidations and hydrations catalyzed by graphene oxide (GO). Using the oxidation of benzyl alcohol to benzaldehyde as a model reaction, density functional theory (DFT) calculations revealed that this reactivity stemmed from the transfer of hydrogen atoms from the organic molecule to the GO surface. In particular, neighbouring epoxide groups decorating GO's basal plane were ring-opened, resulting in the formation of diols, followed by dehydration. Consistent with the experimentally-observed dependence of this chemistry on molecular oxygen, our calculations revealed that the partially reduced catalyst was able to be recharged by molecular oxygen, allowing for catalyst turnover. Functional group-free carbon materials, such as graphite, were calculated to have substantially higher reaction barriers, indicating that the high chemical potential and rich functionality of GO are necess...

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

    SciTech Connect (OSTI)

    Desnavi, Sameerah; Chakraborty, Brahmananda; Ramaniah, Lavanya M.

    2014-04-24

    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.

  7. CONSERVATION LAWS AND THE QUANTUM THEORY OF TRANSPORT: THE EARLY DAYS

    E-Print Network [OSTI]

    Gardel, Margaret

    systems: superconductivity, and with Roy Glauber as well, writing a second thesis, Acceleration's interest in the problem arose from the question of how to write the BCS theory of superconductivity

  8. Correlation of photon pairs from the double Raman amplifier: Generalized analytical quantum Langevin theory 

    E-Print Network [OSTI]

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

    2007-01-01

    We present a largely analytical theory for two-photon correlations G((2)) between Stokes (s) and anti-Stokes (a) photon pairs from an extended medium (amplifier) composed of double-Lambda atoms in counterpropagating geometry. We generalize...

  9. A finite-energy solution in Yang-Mills theory and quantum fluctuations

    E-Print Network [OSTI]

    O. V. Pavlovsky

    2000-07-05

    A finite-energy solution of Yang-Mills theory with a nonstandard lagrangian is provided. Properties of these solution are studied and also a possible physical interpretation is given.

  10. Foundations for Relativistic Quantum Theory I: Feynman's Operator Calculus and the Dyson Conjectures

    E-Print Network [OSTI]

    of the charge. The thinking of the times was clearly expressed by Oppenheimer8 in his 1948 report to the Solvay process could be carried out in a covariant manner. Schwinger developed the general theory and applied

  11. A String Theory Explanation for Quantum Chaos in the Hadronic Spectrum

    E-Print Network [OSTI]

    Zayas, Leopoldo A Pando

    2012-01-01

    In the 1950's Wigner and collaborators provided an explanation for the spectrum of hadronic excitations in terms of Random Matrix Theory. In the 1980's it was understood that some hadronic spectral properties were generic to systems whose classical limit is chaotic. We use string theory to demonstrate explicitly how, under very general conditions, recent holographic models of strong interactions have a spectrum compatible with Wigner's conjecture.

  12. A String Theory Explanation for Quantum Chaos in the Hadronic Spectrum

    E-Print Network [OSTI]

    Leopoldo A. Pando Zayas; Dori Reichmann

    2013-03-27

    In the 1950's Wigner and collaborators provided an explanation for the spectrum of hadronic excitations in terms of Random Matrix Theory. In the 1980's it was understood that some hadronic spectral properties were generic to systems whose classical limit is chaotic. We use string theory to demonstrate explicitly how, under very general conditions, recent holographic models of strong interactions have a spectrum compatible with Wigner's conjecture.

  13. Quantum mechanical/molecular mechanical/continuum style solvation model: Second order Møller-Plesset perturbation theory

    SciTech Connect (OSTI)

    Thellamurege, Nandun M.; Si, Dejun; Cui, Fengchao; Li, Hui, E-mail: hli4@unl.edu [Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States)] [Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States)

    2014-05-07

    A combined quantum mechanical/molecular mechanical/continuum (QM/MM/C) style second order Møller-Plesset perturbation theory (MP2) method that incorporates induced dipole polarizable force field and induced surface charge continuum solvation model is established. The Z-vector method is modified to include induced dipoles and induced surface charges to determine the MP2 response density matrix, which can be used to evaluate MP2 properties. In particular, analytic nuclear gradient is derived and implemented for this method. Using the Assisted Model Building with Energy Refinement induced dipole polarizable protein force field, the QM/MM/C style MP2 method is used to study the hydrogen bonding distances and strengths of the photoactive yellow protein chromopore in the wild type and the Glu46Gln mutant.

  14. Atomic and Molecular Quantum Theory Course Number: C561 C A Measurement is a Projection or a "dot" product (or inner

    E-Print Network [OSTI]

    Iyengar, Srinivasan S.

    of obtaining these measurements is basically a dot product. The dot product can also be interpreted as a proAtomic and Molecular Quantum Theory Course Number: C561 C A Measurement is a Projection or a "dot" product (or inner product)!! 1. Lets go back and consider the Stern Gerlach experiment that we studied

  15. Alternative evaluation of a ln tan integral arising in quantum field theory

    E-Print Network [OSTI]

    Mark W. Coffey

    2008-11-15

    A certain dilogarithmic integral I_7 turns up in a number of contexts including Feynman diagram calculations, volumes of tetrahedra in hyperbolic geometry, knot theory, and conjectured relations in analytic number theory. We provide an alternative explicit evaluation of a parameterized family of integrals containing this particular case. By invoking the Bloch-Wigner form of the dilogarithm function, we produce an equivalent result, giving a third evaluation of I_7. We also alternatively formulate some conjectures which we pose in terms of values of the specific Clausen function Cl_2.

  16. Continuous monitoring and the introduction of a classical level in Quantum Theory

    E-Print Network [OSTI]

    G. M. Prosperi

    2015-08-26

    In ordinary Quantum Mechanics only ideally instantaneous observations of a quantity or a set of compatible quantities are usually considered. In an old paper of our group in Milano a formalism was introduced for the continuous monitoring of a system during a certain interval of time in the framework of a somewhat generalized approach to Q. M. The outcome was a distribution of probability on the space of all the possible continuous histories of a set of quantities to be considered as a kind of coarse grained approximation to some ordinary quantum observables commuting or not. The main aim was the introduction of a classical level in the context of Quantum Mechanics, treating formally a set of basic quantities {\\it to be considered as beables} in the sense of Bell as continuously taken under observation. However the effect of such assumption was a permanent modification of the Liouville-von Neumann equation for the statistical operator by the introduction of a dissipative term which is in conflict with basic conservation rules in all reasonable models we had considered. Difficulties were even encountered for a relativistic extension of the formalism. In this paper I propose a modified version of the original formalism which seems to overcome both difficulties. First I study the simple models of an harmonic oscillator and a free scalar field in which a coarse grain position and a coarse grained field respectively are treated as beables. Then I consider the more realistic case of Spinor Electrodynamics in which only certain coarse grained electric and magnetic fields and no matter related quantities are introduced as classical variables.

  17. Unified theory of exactly and quasiexactly solvable ''discrete'' quantum mechanics. I. Formalism

    SciTech Connect (OSTI)

    Odake, Satoru [Department of Physics, Shinshu University, Matsumoto 390-8621 (Japan); Sasaki, Ryu [Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan)

    2010-08-15

    We present a simple recipe to construct exactly and quasiexactly solvable Hamiltonians in one-dimensional ''discrete'' quantum mechanics, in which the Schroedinger equation is a difference equation. It reproduces all the known ones whose eigenfunctions consist of the Askey scheme of hypergeometric orthogonal polynomials of a continuous or a discrete variable. The recipe also predicts several new ones. An essential role is played by the sinusoidal coordinate, which generates the closure relation and the Askey-Wilson algebra together with the Hamiltonian. The relationship between the closure relation and the Askey-Wilson algebra is clarified.

  18. Multi-channel conduction in redox-based resistive switch modelled using quantum point contact theory

    SciTech Connect (OSTI)

    Miranda, E., E-mail: enrique.miranda@uab.cat; Suñé, J. [Departament d'Enginyeria Electrònica, Universitat Autònoma de Barcelona, 08193 Cerdanyola del Vallés, Barcelona (Spain)] [Departament d'Enginyeria Electrònica, Universitat Autònoma de Barcelona, 08193 Cerdanyola del Vallés, Barcelona (Spain); Mehonic, A.; Kenyon, A. J. [Department of Electronic and Electrical Engineering, University College London, Torrington Place, London WC1E 7JE (United Kingdom)] [Department of Electronic and Electrical Engineering, University College London, Torrington Place, London WC1E 7JE (United Kingdom)

    2013-11-25

    A simple analytic model for the electron transport through filamentary-type structures in Si-rich silica (SiO{sub x})-based resistive switches is proposed. The model is based on a mesoscopic description and is able to account for the linear and nonlinear components of conductance that arise from both fully and partially formed conductive channels spanning the dielectric film. Channels are represented by arrays of identical scatterers whose number and quantum transmission properties determine the current magnitude in the low and high resistance states. We show that the proposed model not only reproduces the experimental current-voltage (I-V) characteristics but also the normalized differential conductance (dln(I)/dln(V)-V) curves of devices under test.

  19. NO Chemisorption on Cu/SSZ-13: a Comparative Study from Infrared Spectroscopy and DFT Calculations

    SciTech Connect (OSTI)

    Zhang, Renqin; McEwen, Jean-Sabin; Kollar, Marton; Gao, Feng; Wang, Yilin; Szanyi, Janos; Peden, Charles HF

    2014-11-07

    The locations and energies of Cu ions in a Cu/SSZ-13 zeolite catalyst were investigated by density functional theory (DFT) calculations. For 'naked' Cu2+ ions (i.e., Cu2+ ions with no ligands in their coordination spheres other than zeolite lattice oxygen atoms), the more energetically favorable sites are within a 6-membered ring. However, with the presence of various adsorbates, the energy difference between 6- and 8-membered ring locations greatly diminishes. Specifically, Cu2+ ions are substantially stabilized by -OH ligands (as [CuII(OH)]+), making the extra-framework sites in an 8-membered ring energetically more favorable than 6-membered ring sites. Under fully dehydrated high vacuum conditions with different Si/Al and Cu/Al ratios, three chemisorbed NO species coexist upon exposure of NO to Cu/SSZ-13: NO+, Cu2+-NO and Cu+-NO. The relative signal intensities for these bands vary greatly with Si/Al ratios. The vibrational frequency of chemisorbed NO was found to be very sensitive to the location of Cu2+ ions. On the one hand, with the aid from DFT calculations, the nature for these vibrations can be assigned in detail. On the other hand, the relative intensities for various Cu2+-NO species provide a good measure of the nature of Cu2+ ions as functions of Si/Al and Cu/Al ratios and the presence of humidity. These new findings cast doubt on the generally accepted proposal that only Cu2+ ions located in 6-membered rings are catalytically active for NH3-SCR.

  20. Nash equilibrium in quantum superpositions

    E-Print Network [OSTI]

    Faisal Shah Khan; Simon. J. D. Phoenix

    2011-06-15

    A working definition of the term \\quantum game" is developed in an attempt to gain insights into aspects of quantum mechanics via game theory.

  1. Recent Progress in the Physics of Open Quantum Systems: Theory and Experiment

    E-Print Network [OSTI]

    Rotter, I

    2015-01-01

    This Report explores recent advances in our understanding of the physics of open quantum systems (OQSs) which consist of some localized region that is coupled to an external environment. Examples of such systems may be found in numerous areas of physics including mesoscopic physics that provides the main focus of this review. We provide a detailed discussion of the behavior of OQSs in terms of the projection-operator formalism, according to which the system under study is considered to be comprised of a localized region ($Q$), embedded into a well-defined environment ($P$) of scattering wavefunctions (with $Q+P=1$). The $Q$ subspace must be treated using the concepts of non-Hermitian physics, and of particular interest here is: the capacity of the environment to mediate a coupling between the different states of $Q$; the role played by the presence of exceptional points (EPs) in the spectra of OQSs; the influence of EPs on the rigidity of the wavefunction phases, and; the ability of EPs to initiate a dynamica...

  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

    2011-11-14

    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

    2015-02-27

    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. Finite-Volume Energy Spectrum, Fractionalized Strings, and Low-Energy Effective Field Theory for the Quantum Dimer Model on the Square Lattice

    E-Print Network [OSTI]

    Banerjee, D; Hofmann, C P; Jiang, F -J; Widmer, P; Wiese, U -J

    2015-01-01

    We present detailed analytic calculations of finite-volume energy spectra, mean field theory, as well as a systematic low-energy effective field theory for the square lattice quantum dimer model. The analytic considerations explain why a string connecting two external static charges in the confining columnar phase fractionalizes into eight distinct strands with electric flux $\\frac{1}{4}$. An emergent approximate spontaneously broken $SO(2)$ symmetry gives rise to a pseudo-Goldstone boson. Remarkably, this soft phonon-like excitation, which is massless at the Rokhsar-Kivelson (RK) point, exists far beyond this point. The Goldstone physics is captured by a systematic low-energy effective field theory. We determine its low-energy parameters by matching the analytic effective field theory with exact diagonalization results and Monte Carlo data. This confirms that the model exists in the columnar (and not in a plaquette or mixed) phase all the way to the RK point.

  5. Beyond Gauge Theories

    E-Print Network [OSTI]

    John H. Schwarz

    1998-09-01

    Superstring theory, and a recent extension called M theory, are leading candidates for a quantum theory that unifies gravity with the other forces. As such, they are certainly not ordinary quantum field theories. However, recent duality conjectures suggest that a more complete definition of these theories can be provided by the large N limits of suitably chosen U(N) gauge theories associated to the asymptotic boundary of spacetime.

  6. 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 and considered it just another semi-empirical method.2 Tom, however, realized that DFT was ``Das Future Tool

  7. 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

    2013-08-05

    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...

  8. Thermalized Non-Equilibrated Matter against Random Matrix Theory, Quantum Chaos and Direct Interaction: Warming up

    E-Print Network [OSTI]

    S. Kun; Y. Li; M. H. Zhao; M. R. Huang

    2013-07-17

    The idea of a thermalized non-equilibrated state of matter offers a conceptually new understanding of the strong angular asymmetry. In this compact review we present some clarifications, corrections and further developments of the approach, and provide a brief account of results previously discussed but not reported in the literature. The cross symmetry compound nucleus $S$-matrix correlations are obtained (i) starting from the unitary $S$-matrix representation, (ii) by explicitly taking into account a process of energy equilibration, and (iii) without taking the thermodynamic limit of an infinite number of particles in the thermalized system. It is conjectured that the long phase memory is due to the exponentially small total spin off-diagonal resonance intensity correlations. This manifestly implies that the strong angular asymmetry intimately relates to extremely small deviations of the eigenfunction distribution from Gaussian law. The spin diagonal resonance intensity correlations determine a new time/energy scale for a validity of random matrix theory. Its definition does not involve overlaps of the many-body interacting configurations with shell model non-interacting states and thus is conceptually different from the physical meaning (inverse energy relaxation time) of the spreading widths introduced by Wigner. Exact Gaussian distribution of the resonance wave functions corresponds to the instantaneous phase relaxation. We invite the nuclear reaction community for the competition to describe, as the first challenge, the strong forward peaking in the typically evaporation part of the proton spectra. This is necessary to initiate revealing long-term misconduct in the heavily cross-disciplinary field, also important for nuclear industry applications.

  9. Hybrid DFT Functional-Based Static and Molecular Dynamics Studies of Excess Electron in Liquid Ethylene Carbonate

    SciTech Connect (OSTI)

    Yu, J. M.; Balbuena, P. B.; Budzien, J. L.; Leung, Kevin

    2011-02-22

    We applied static and dynamic hybrid functional density functional theory (DFT) calculations to study the interactions of one and two excess electrons with ethylene carbonate (EC) liquid and clusters. Optimal structures of (EC)n and (EC)n- clusters devoid of Li+ ions, n = 1–6, were obtained. The excess electron was found to be localized on a single EC in all cases, and the EC dimeric radical anion exhibits a reduced barrier associated with the breaking of the ethylene carbon–oxygen covalent bond compared to EC-. In ab initio molecular dynamics (AIMD) simulations of EC- solvated in liquid EC, large fluctuations in the carbonyl carbon–oxygen bond lengths were observed. AIMD simulations of a two-electron attack on EC in EC liquid and on Li metal surfaces yielded products similar to those predicted using nonhybrid DFT functionals, except that CO release did not occur for all attempted initial configurations in the liquid state.

  10. Quantum Thermodynamics

    E-Print Network [OSTI]

    Sai Vinjanampathy; Janet Anders

    2015-08-25

    Quantum thermodynamics is an emerging research field aiming to extend standard thermodynamics and non-equilibrium statistical physics to ensembles of sizes well below the thermodynamic limit, in non-equilibrium situations, and with the full inclusion of quantum effects. Fuelled by experimental advances and the potential of future nanoscale applications this research effort is pursued by scientists with different backgrounds, including statistical physics, many-body theory, mesoscopic physics and quantum information theory, who bring various tools and methods to the field. A multitude of theoretical questions are being addressed ranging from issues of thermalisation of quantum systems and various definitions of "work", to the efficiency and power of quantum engines. This overview provides a perspective on a selection of these current trends accessible to postgraduate students and researchers alike.

  11. Electronic states near a quantum fluctuating point vortex in a d-wave superconductor: Dirac fermion theory

    E-Print Network [OSTI]

    -point motion in a d-wave superconductor. The vortex is treated as a point flux tube, carrying fluxElectronic states near a quantum fluctuating point vortex in a d-wave superconductor: Dirac fermion model of the low-energy electronic states in the vicinity of a vortex undergoing quantum zero

  12. 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

    2014-08-01

    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.

  13. Quantum backgrounds and QFT

    E-Print Network [OSTI]

    Jae-Suk Park; John Terilla; Thomas Tradler

    2009-09-21

    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.

  14. Optimal Transportation Theory with Repulsive Costs

    E-Print Network [OSTI]

    Simone Di Marino; Augusto Gerolin; Luca Nenna

    2015-06-15

    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.

  15. Quantum Field Theory & Gravity

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

    in momentum space and in arbitrary space-time dimensions relevant to massless anomaly poles and therefore the infrared macroscopic effects of the conformal trace anomaly in QFT...

  16. Describing excited state relaxation and localization in TiO2 nanoparticles using TD-DFT

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

    Berardo, Enrico; Hu, Han -Shi; van Dam, Hubertus J. J.; Shevlin, Stephen A.; Woodley, Scott M.; Kowalski, Karol; Zwijnenburg, Martijn A.

    2014-02-26

    We have investigated the description of excited state relaxation in naked and hydrated TiO2 nanoparticles using Time-Dependent Density Functional Theory (TD-DFT) with three common hybrid exchange-correlation (XC) potentials; B3LYP, CAM-B3LYP and BHLYP. Use of TD-CAM-B3LYP and TD-BHLYP yields qualitatively similar results for all structures, which are also consistent with predictions of coupled cluster theory for small particles. TD-B3LYP, in contrast, is found to make rather different predictions; including apparent conical intersections for certain particles that are not observed with TD-CAM-B3LYP nor with TD-BHLYP. In line with our previous observations for vertical excitations, the issue with TD-B3LYP appears to be themore »inherent tendency of TD-B3LYP, and other XC potentials with no or a low percentage of Hartree-Fock Like Exchange, to spuriously stabilize the energy of charge-transfer (CT) states. Even in the case of hydrated particles, for which vertical excitations are generally well described with all XC potentials, the use of TD-B3LYP appears to result in CT-problems for certain particles. We hypothesize that the spurious stabilization of CT-states by TD-B3LYP even may drive the excited state optimizations to different excited state geometries than those obtained using TD-CAM-B3LYP or TD-BHLYP. In conclusion, focusing on the TD-CAM-B3LYP and TD-BHLYP results, excited state relaxation in naked and hydrated TiO2 nanoparticles is predicted to be associated with a large Stokes’ shift.« less

  17. Quantum Error Correction for Quantum Memories

    E-Print Network [OSTI]

    Barbara M. Terhal

    2015-04-10

    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.

  18. The Spacetime of Double Field Theory: Review, Remarks, and Outlook

    E-Print Network [OSTI]

    Olaf Hohm; Dieter Lust; Barton Zwiebach

    2014-10-30

    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 of generalized coordinate transformations fails to associate. Moreover, in dimensional reduction, the O(d,d) T-duality transformations of fields can be obtained as generalized diffeomorphisms. Restricted to a half-dimensional subspace, DFT includes `generalized geometry', but is more general in that local patches of the doubled space may be glued together with generalized coordinate transformations. Indeed, we show that for certain T-fold backgrounds with non-geometric fluxes, there are generalized coordinate transformations that induce, as gauge symmetries of DFT, the requisite O(d,d;Z) monodromy transformations. Finally we review recent results on the \\alpha' extension of DFT which, reduced to the half-dimensional subspace, yields intriguing modifications of the basic structures of generalized geometry.

  19. On the Quantum Aspects of Geophysics

    E-Print Network [OSTI]

    F. Darabi

    2004-10-10

    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}

  20. Scaling Dynamical Correlation Energy from Density Functional Theory Correlation Functionals

    E-Print Network [OSTI]

    Ramachandran, Bala (Ramu)

    Scaling Dynamical Correlation Energy from Density Functional Theory Correlation Functionals B for molecules by scaling the electron correlation energy calculated by density functional theory (DFT)1 ReceiVed: February 2, 2005; In Final Form: April 18, 2005 The scaling of dynamical correlation energy

  1. Governing Dynamics from cause and effect: -A novel formulation for causality with applications in Quantum Gravity and Economic Theory

    E-Print Network [OSTI]

    Jussi Ilmari Lindgren

    2013-02-13

    This paper defines an equation for causality. This equation is then combined with the postulates of quantum mechanics and mass-energy equivalence to produce a quantum mechanical telegrapher's equation and to reproduce the Schrodinger and Klein-Gordon equations. The incompressible Navier-Stokes equations and dynamic general equilibrium in economics (with an interpretation of a Nash equilibrium) are obtained when the equation of causality refers to itself, i.e. when the cause is its own effect. As it is shown that the Klein-Gordon equation is obtained by Wick rotating the cause vector with de Broglie angular frequency, this paper postulates an equation for Quantum Gravity, which relates the Navier-Stokes equations to the Einstein Field Equations of General Relativity.

  2. On the geometry of the energy operator in quantum mechanics

    E-Print Network [OSTI]

    Vitolo, Raffaele

    with several contributions from many authors. 1 Introduction One of the problems of quantum mechanical theories

  3. Chemical accuracy from quantum Monte Carlo for the Benzene Dimer

    E-Print Network [OSTI]

    Azadi, Sam

    2015-01-01

    We report an accurate study of interactions between Benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory (DFT) using different van der Waals (vdW) functionals. In our QMC calculations, we use accurate correlated trial wave functions including three-body Jastrow factors, and backflow transformations. We consider two benzene molecules in the parallel displaced (PD) geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimal VMC and DMC binding energies of -2.3(4) and -2.7(3) kcal/mol, respectively. The best estimate of the CCSD(T)/CBS limit is -2.65(2) kcal/mol [E. Miliordos et al, J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, compar...

  4. Models of quantum computation and quantum programming languages

    E-Print Network [OSTI]

    J. A. Miszczak

    2011-12-03

    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.

  5. Quantum Discrete Fourier Transform with Classical Output for Signal Processing

    E-Print Network [OSTI]

    Chao-Yang Pang; Ben-Qiong Hu

    2007-06-17

    Discrete Fourier transform (DFT) is the base of modern signal or information processing. 1-Dimensional fast Fourier transform (1D FFT) and 2D FFT have time complexity O(NlogN) and O(N^2logN) respectively. Quantum 1D and 2D DFT algorithms with classical output (1D QDFT and 2D QDFT) are presented in this paper. And quantum algorithm for convolution estimation is also presented in this paper. Compared with FFT, QDFT has two advantages at least. One of advantages is that 1D and 2D QDFT has time complexity O(sqrt(N)) and O(N) respectively. The other advantage is that QDFT can process very long signal sequence at a time. QDFT and quantum convolution demonstrate that quantum signal processing with classical output is possible.

  6. 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

  7. Teaching Quantum Physics Without Paradoxes

    E-Print Network [OSTI]

    Hobson, Art

    that fundamental fields such as the electromagnetic (EM) field are physi- cally real, and not simply mathematical continuous but energetically quantized fields. But because the resolution resides in quantum field theory.) of introduc- tory quantum physics, and I certainly do not propose teaching quantum field theory

  8. Communication: Embedded fragment stochastic density functional theory Daniel Neuhauser, Roi Baer, and Eran Rabani

    E-Print Network [OSTI]

    Rabani, Eran

    Communication: Embedded fragment stochastic density functional theory Daniel Neuhauser, Roi Baer (2014) Communication: Embedded fragment stochastic density functional theory Daniel Neuhauser,1,a) Roi­18 Recently, we formulated KS-DFT as a statistical theory in which the electron density is determined from

  9. LATTICE GAUGE THEORY 1 Lattice Gauge Theory

    E-Print Network [OSTI]

    Creutz, Michael

    a crucial tool for the quantum field the- orist. Applied to the formalism of lattice gauge theory, numerical simulations are providing fundamental quantitative information about the interactions of quarksLATTICE GAUGE THEORY 1 Lattice Gauge Theory Michael Creutz Supercomputers have recently become

  10. 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.

    2005-01-01

    Backscattered signal of coherent anti-Stokes Raman spectroscopy can be an extremely useful tool for remote identification of airborne particles, provided the signal is sufficiently large. We formulate a semiclassical theory of nonlinear scattering...

  11. Quantum histories without contrary inferences

    SciTech Connect (OSTI)

    Losada, Marcelo; Laura, Roberto

    2014-12-15

    In the consistent histories formulation of quantum theory it was shown that it is possible to retrodict contrary properties. We show that this problem do not appear in our formalism of generalized contexts for quantum histories. - Highlights: • We prove ordinary quantum mechanics has no contrary properties. • Contrary properties in consistent histories are reviewed. • We prove generalized contexts for quantum histories have no contrary properties.

  12. Quantum Mechanics and Multiply Connected Spaces

    E-Print Network [OSTI]

    B. G. Sidharth

    2006-05-16

    t is well known that the difference between Quantum Mechanics and Classical Theory appears most crucially in the non Classical spin half of the former theory and the Wilson-Sommerfelt quantization rule. We argue that this is symptomatic of the fact that Quantum Theory is actually a theory in multiply connected space while Classical Theory operates in simply connected space.

  13. 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)

    2012-05-21

    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.

  14. 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

    2008-10-21

    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.

  15. Similarities Between Classical Timelike Geodesics in a Naked Reissner-Nordstrom Singularity Background and the Behaviour of Electrons in Quantum Theory

    E-Print Network [OSTI]

    Asghar Qadir; Azad A. Siddiqui

    2006-02-15

    It is generally assumed that naked singularities must be physically excluded, as they could otherwise introduce unpredictable influences in their future null cones. Considering geodesics for a naked Reissner-Nordstrom singularity, it is found that the singularity is effectively clothed by its repulsive nature. Regarding electron as naked singularity, the size of the clothed singularity (electron) turns out to be classical electro-magnetic radius of the electron, to an observer falling freely from infinity, initially at rest. The size shrinks for an observer falling freely from infinity, with a positive initial velocity. For geodetic parameters corresponding to negative energy there are trapped geodesics. The similarity of this picture with that arising in the Quantum Theory is discussed.

  16. Time-dependent Internal DFT formalism and Kohn-Sham scheme

    E-Print Network [OSTI]

    J. Messud

    2009-11-05

    We generalize to the time-dependent case the stationary Internal DFT / Kohn-Sham formalism presented in Ref. [14]. We prove that, in the time-dependent case, the internal properties of a self-bound system (as an atomic nuclei) are all defined by the internal one-body density and the initial state. We set-up a time-dependent Internal Kohn-Sham scheme as a practical way to compute the internal density. The main difference with the traditional DFT / Kohn-Sham formalism is the inclusion of the center-of-mass correlations in the functional.

  17. Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

    E-Print Network [OSTI]

    Hautier, Geoffroy

    The evaluation of reaction energies between solids using density functional theory (DFT) is of practical importance in many technological fields and paramount in the study of the phase stability of known and predicted ...

  18. Intrinsic point-defect equilibria in tetragonal ZrO[subscript 2]: Density functional theory analysis with finite-temperature effects

    E-Print Network [OSTI]

    Youssef, Mostafa Youssef Mahm

    We present a density functional theory (DFT) framework taking into account the finite temperature effects to quantitatively understand and predict charged defect equilibria in a metal oxide. Demonstration of this approach ...

  19. RELATIVISTIC GEOMETRY AND QUANTUM ELECTRODYNAMICS

    E-Print Network [OSTI]

    González Martín, Gustavo R.

    the fundamental aspects of quantum theory. SB/F/272-99 #12;2 Introduction A geometrical unified theory:\\\\prof.usb.ve\\ggonzalm\\ Excitations of a relativistic geometry were used to represent the theory of quantum electrodynamics. The connection excitations and the frame excitations reduce, respectively, to the electromagnetic field operator

  20. On Randomness in Quantum Mechanics

    E-Print Network [OSTI]

    Alberto C. de la Torre

    2007-07-19

    The quantum mechanical probability densities are compared with the probability densities treated by the theory of random variables. The relevance of their difference for the interpretation of quantum mechanics is commented.

  1. STATISTICAL MECHANICS AND FIELD THEORY

    E-Print Network [OSTI]

    Samuel, S.A.

    2010-01-01

    1. L. 1. Schiff, Quantum Mechanics, third edition (McGraw-two-dimensional quantum mechanics problem vith a potential,Theory Methods to Statistical Mechanics Chapter I The Use of

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

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Toman, Petr; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    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.

  3. QUANTUM CHAOS, CLASSICAL RANDOMNESS, AND BOHMIAN MECHANICS

    E-Print Network [OSTI]

    Goldstein, Sheldon

    QUANTUM CHAOS, CLASSICAL RANDOMNESS, AND BOHMIAN MECHANICS Detlef DË? urr* ,+ , Sheldon Goldstein of quantum theory, Bohmian mechanics, in which ``quantum chaos'' also arises solely from the dynamical law. Moreover, this occurs in a manner far simpler than in the classical case. KEY WORDS: Quantum chaos; quantum

  4. with statistically independent nonredundant coefficientsdue to the linearity of the DFT.

    E-Print Network [OSTI]

    Teich, Malvin C.

    with statistically independent nonredundant coefficientsdue to the linearity of the DFT. 2 5 P. D.Welch,"The useof Fast FourierTransform for the estimation of power spectra: A method based on time averaging over to produce impulses during the refractory period do not prolong the duration of the period (nonparalyzable

  5. An Efficient Arithmetic Sum-of-Product (SOP) based Multiplication Approach for FIR Filters and DFT 

    E-Print Network [OSTI]

    Kumar, Rajeev

    2013-04-24

    -arriving lower-order bits, a Kogge-Stone adder for the slower middle bits, and a carry-select adder for the early-arriving higher order bits). The DFT and FIR filters can also be cast as instances of the Multiple Constant Multiplication (MCM) problem. RAG...

  6. Quantum Mechanics Without Observers

    E-Print Network [OSTI]

    W. H. Sulis

    2013-03-03

    The measurement problem and the role of observers have plagued quantum mechanics since its conception. Attempts to resolve these have introduced anthropomorphic or non-realist notions into physics. A shift of perspective based upon process theory and utilizing methods from combinatorial games, interpolation theory and complex systems theory results in a novel realist version of quantum mechanics incorporating quasi-local, nondeterministic hidden variables that are compatible with the no-hidden variable theorems and relativistic invariance, and reproduce the standard results of quantum mechanics to a high degree of accuracy without invoking observers.

  7. 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)

    2014-04-07

    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.

  8. 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...

  9. Density functional theory study on the interstitial chemical shifts of main-group-element centered hexazirconium halide clusters; synthetic control of speciation in [(Zr6ZCl12)] (Z = B, C)-based mixed ligand complexes 

    E-Print Network [OSTI]

    Shen, Jingyi

    2005-08-29

    The correlation between NMR chemical shifts of interstitial atoms and electronic structures of boron- and carbon-centered hexazirconium halide clusters was investigated by density functional theory (DFT) calculation. The ...

  10. 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

    2007-01-12

    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.

  11. Potential energy and free energy surfaces of glycyl-phenyalanyl-alanine (GFA) tripeptide: experiment and theory

    E-Print Network [OSTI]

    de Vries, Mattanjah S.

    energies of these complexes by means of density functional theory (DFT) and/or wave-function theory (WFT1 Potential energy and free energy surfaces of glycyl-phenyalanyl-alanine (GFA) tripeptide of Chemical Technology of Prague. Technicka 3, 166 28 Prague 6, Czech Republic. c) IRC Polymer and Complex

  12. An Underlying Theory for Gravity

    E-Print Network [OSTI]

    Yuan K. Ha

    2012-08-14

    A new direction to understand gravity has recently been explored by considering classical gravity to be a derived interaction from an underlying theory. This underlying theory would involve new degrees of freedom at a deeper level and it would be structurally different from classical gravitation. It may conceivably be a quantum theory or a non-quantum theory. The relation between this underlying theory and Einstein's gravity is similar to the connection between statistical mechanics and thermodynamics. We discuss the apparent lack of evidence of any quantum nature of gravity in this context.

  13. Quantum Locality?

    E-Print Network [OSTI]

    Stapp, Henry P

    2011-01-01

    Robert Griffiths has recently addressed, within the framework of a 'consistent quantum theory' 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 that the putative proofs of this property that involve hidden variables 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 establishing, instead, properties of a system modified by adding properties alien to the original 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...

  14. Periodic subsystem density-functional theory

    SciTech Connect (OSTI)

    Genova, Alessandro; Pavanello, Michele; Ceresoli, Davide

    2014-11-07

    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.

  15. 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

    2014-08-01

    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.

  16. TORSION AND QUANTUM GRAVITY

    E-Print Network [OSTI]

    Hanson, Andrew J.

    2011-01-01

    more restrictive context of Einstein's theory of gravity.6782 TORSION AND QUANTUM GRAVITY Andrevr J, Him son Lawrencetorsion in conventional gravity cou~d in fact be dynamicaL A

  17. M-Theory and Maximally Supersymmetric Gauge Theories

    E-Print Network [OSTI]

    Neil Lambert

    2012-05-21

    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.

  18. 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

    2014-01-01

    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.

  19. 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

    2009-01-01

    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:

  20. 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.

    2013-12-15

    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.

  1. Experimental and DFT studies of initiation processes for butane isomerization over sulfated-zirconia catalysts

    SciTech Connect (OSTI)

    Hong, Z.; Watwe, R.M.; Natal-Santiago, M.A.; Hill, J.M.; Dumesic, J.A.; Fogash, K.B.; Kim, B.; Masqueda-Jimenez, B.I.

    1998-09-10

    Reaction kinetics studies were conducted of isobutane and n-butane isomerization at 423 K over sulfated-zirconia, with the butane feeds purified of olefins. Dihydrogen evolution was observed during butane isomerization over fresh catalysts, as well as over catalysts selectively poisoned by preadsorbed ammonia. Butane isomerization over sulfated-zirconia can be viewed as a surface chain reaction comprised of initiation, propagation, and termination steps. The primary initiation step in the absence of feed olefins is considered to be the dehydrogenation of butane over sulfated-zirconia, generating butenes which adsorb onto acid sites to form protonated olefinic species associated with the conjugate base form of the acid sites. Quantum-chemical calculations, employing density-functional theory, suggest that the dissociative adsorption of dihydrogen, isobutylene hydrogenation, and dissociative adsorption of isobutane are feasible over the sulfated-zirconia cluster, and these reactions take place over Zr-O sites.

  2. Quantum Gravity and Turbulence

    E-Print Network [OSTI]

    Vishnu Jejjala; Djordje Minic; Y. Jack Ng; Chia-Hsiung Tze

    2010-05-18

    We apply recent advances in quantum gravity to the problem of turbulence. Adopting the AdS/CFT approach we propose a string theory of turbulence that explains the Kolmogorov scaling in 3+1 dimensions and the Kraichnan and Kolmogorov scalings in 2+1 dimensions. In the gravitational context, turbulence is intimately related to the properties of spacetime, or quantum, foam.

  3. Quantum Physics Einstein's Gravity

    E-Print Network [OSTI]

    Visser, Matt

    Quantum Physics confronts Einstein's Gravity Matt Visser Physics Department Washington University Saint Louis USA Science Saturdays 13 October 2001 #12; Quantum Physics confronts Einstein's Gravity and with Einstein's theory of gravity (the general relativity) is still the single biggest theoretical problem

  4. Describing excited state relaxation and localization in TiO2 nanoparticles using TD-DFT

    SciTech Connect (OSTI)

    Berardo, Enrico; Hu, Han -Shi; van Dam, Hubertus J. J.; Shevlin, Stephen A.; Woodley, Scott M.; Kowalski, Karol; Zwijnenburg, Martijn A.

    2014-02-26

    We have investigated the description of excited state relaxation in naked and hydrated TiO2 nanoparticles using Time-Dependent Density Functional Theory (TD-DFT) with three common hybrid exchange-correlation (XC) potentials; B3LYP, CAM-B3LYP and BHLYP. Use of TD-CAM-B3LYP and TD-BHLYP yields qualitatively similar results for all structures, which are also consistent with predictions of coupled cluster theory for small particles. TD-B3LYP, in contrast, is found to make rather different predictions; including apparent conical intersections for certain particles that are not observed with TD-CAM-B3LYP nor with TD-BHLYP. In line with our previous observations for vertical excitations, the issue with TD-B3LYP appears to be the inherent tendency of TD-B3LYP, and other XC potentials with no or a low percentage of Hartree-Fock Like Exchange, to spuriously stabilize the energy of charge-transfer (CT) states. Even in the case of hydrated particles, for which vertical excitations are generally well described with all XC potentials, the use of TD-B3LYP appears to result in CT-problems for certain particles. We hypothesize that the spurious stabilization of CT-states by TD-B3LYP even may drive the excited state optimizations to different excited state geometries than those obtained using TD-CAM-B3LYP or TD-BHLYP. In conclusion, focusing on the TD-CAM-B3LYP and TD-BHLYP results, excited state relaxation in naked and hydrated TiO2 nanoparticles is predicted to be associated with a large Stokes’ shift.

  5. From Superstrings to M Theory

    E-Print Network [OSTI]

    John H. Schwarz

    1998-08-16

    In the strong coupling limit type IIA superstring theory develops an eleventh dimension that is not apparent in perturbation theory. This suggests the existence of a consistent 11d quantum theory, called M theory, which is approximated by 11d supergravity at low energies. In this review we describe some of the evidence for this picture and some of its implications.

  6. Quantum Biology

    E-Print Network [OSTI]

    Alessandro Sergi

    2009-07-11

    A critical assessment of the recent developments of molecular biology is presented. The thesis that they do not lead to a conceptual understanding of life and biological systems is defended. Maturana and Varela's concept of autopoiesis is briefly sketched and its logical circularity avoided by postulating the existence of underlying {\\it living processes}, entailing amplification from the microscopic to the macroscopic scale, with increasing complexity in the passage from one scale to the other. Following such a line of thought, the currently accepted model of condensed matter, which is based on electrostatics and short-ranged forces, is criticized. It is suggested that the correct interpretation of quantum dispersion forces (van der Waals, hydrogen bonding, and so on) as quantum coherence effects hints at the necessity of including long-ranged forces (or mechanisms for them) in condensed matter theories of biological processes. Some quantum effects in biology are reviewed and quantum mechanics is acknowledged as conceptually important to biology since without it most (if not all) of the biological structures and signalling processes would not even exist. Moreover, it is suggested that long-range quantum coherent dynamics, including electron polarization, may be invoked to explain signal amplification process in biological systems in general.

  7. Quantum Gravito-Optics: A Light Route from Semiclassical Gravity to Quantum Gravity

    E-Print Network [OSTI]

    Unnikrishnan, C S

    2015-01-01

    Quantum gravity remains an elusive theory, in spite of our thorough understanding of the quantum theory and the general theory of relativity separately, presumably due to the lack of any observational clues. We argue that the theory of quantum gravity has a strong constraining anchor in the sector of gravitational radiation ensuring reliable physical clues, albeit in a limited observable form. In particular, all types of gravitational waves expected to be observable in LIGO-like advanced detectors are fully quantum mechanical states of radiation. Exact equivalence of the full quantum gravity theory with the familiar semiclassical theory is ensured in the radiation sector, in most real situations where the relevant quantum operator functions are normal ordered, by the analogue of the optical equivalence theorem in quantum optics. We show that this is indeed the case for detection of the waves from a massive binary system, a single gravitational atom, that emits coherent radiation. The idea of quantum-gravitati...

  8. Quantum Dimensions And Quantum Galois Theory

    E-Print Network [OSTI]

    Jiao, Xiangyu

    2013-01-01

    following v m M (n) ? M (n + wtv ? m ? 1) for homogeneousq n , n? T 1 Z + where o(v) = v(wtv ? 1) is the degree zeroz] = Y (v, e z ? 1)e z·wtv = v[n]z n?1 n?Z for homogeneous

  9. Quantum Noise Filtering via Cross-Correlations

    E-Print Network [OSTI]

    Boaz Tamir; Eliahu Cohen

    2015-04-04

    Motivated by successful classical models for noise reduction, we suggest a quantum technique for filtering noise out of quantum states. The purpose of this paper is twofold: presenting a simple construction of quantum cross-correlations between two wave-functions, and presenting a scheme for a quantum noise filtering. We follow a well-known scheme in classical communication theory that attenuates random noise, and show that one can build a quantum analog by using non-trace-preserving operators. By this we introduce a classically motivated signal processing scheme to quantum information theory, which can help reducing quantum noise, and particularly, phase flip noise.

  10. Progress at the interface of wave-function and density-functional theories

    SciTech Connect (OSTI)

    Gidopoulos, Nikitas I.

    2011-04-15

    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.

  11. Stern-Gerlach Experiments and Complex Numbers in Quantum Physics

    E-Print Network [OSTI]

    S. Sivakumar

    2012-07-09

    It is often stated that complex numbers are essential in quantum theory. In this article, the need for complex numbers in quantum theory is motivated using the results of tandem Stern-Gerlach experiments

  12. Efficiency and formalism of quantum games

    E-Print Network [OSTI]

    Chiu Fan Lee; Neil Johnson

    2008-09-19

    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.

  13. Composite Photon Theory Versus Elementary Photon Theory

    E-Print Network [OSTI]

    Walton A. Perkins

    2015-03-02

    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.

  14. Intrinsic Time Quantum Geometrodynamics

    E-Print Network [OSTI]

    Eyo Eyo Ita III; Chopin Soo; Hoi-Lai Yu

    2015-02-06

    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.

  15. Quantum algorithms for algebraic problems

    E-Print Network [OSTI]

    Andrew M. Childs; Wim van Dam

    2008-12-02

    Quantum computers can execute algorithms that dramatically outperform classical computation. As the best-known example, Shor discovered an efficient quantum algorithm for factoring integers, whereas factoring appears to be difficult for classical computers. Understanding what other computational problems can be solved significantly faster using quantum algorithms is one of the major challenges in the theory of quantum computation, and such algorithms motivate the formidable task of building a large-scale quantum computer. This article reviews the current state of quantum algorithms, focusing on algorithms with superpolynomial speedup over classical computation, and in particular, on problems with an algebraic flavor.

  16. Quantum evolution across singularities

    E-Print Network [OSTI]

    Ben Craps; Oleg Evnin

    2008-01-21

    Attempts to consider evolution across space-time singularities often lead to quantum systems with time-dependent Hamiltonians developing an isolated singularity as a function of time. Examples include matrix theory in certain singular time-dependent backgounds and free quantum fields on the two-dimensional compactified Milne universe. Due to the presence of the singularities in the time dependence, the conventional quantum-mechanical evolution is not well-defined for such systems. We propose a natural way, mathematically analogous to renormalization in conventional quantum field theory, to construct unitary quantum evolution across the singularity. We carry out this procedure explicitly for free fields on the compactified Milne universe and compare our results with the matching conditions considered in earlier work (which were based on the covering Minkowski space).

  17. A density functional theory study of the correlation between analyte basicity, ZnPc adsorption strength, and sensor response

    E-Print Network [OSTI]

    Kummel, Andrew C.

    A density functional theory study of the correlation between analyte basicity, ZnPc adsorption Received 4 January 2009; accepted 27 April 2009; published online 28 May 2009 Density functional theory DFT of their electron donating ability or Lewis basicity. With the exception of the most basic analyte investigated

  18. Quantization of Games: Towards Quantum Artificial Intelligence

    E-Print Network [OSTI]

    Katarzyna Miakisz; Edward W. Piotrowski; Jan Sladkowski

    2004-12-30

    On grounds of the discussed material, we reason about possible future development of quantum game theory and its impact on information processing and the emerging information society. The idea of quantum artificial intelligence is explained.

  19. Quantum Time

    E-Print Network [OSTI]

    John Ashmead

    2010-05-05

    Normally we quantize along the space dimensions but treat time classically. But from relativity we expect a high level of symmetry between time and space. What happens if we quantize time using the same rules we use to quantize space? To do this, we generalize the paths in the Feynman path integral to include paths that vary in time as well as in space. We use Morlet wavelet decomposition to ensure convergence and normalization of the path integrals. We derive the Schr\\"odinger equation in four dimensions from the short time limit of the path integral expression. We verify that we recover standard quantum theory in the non-relativistic, semi-classical, and long time limits. Quantum time is an experiment factory: most foundational experiments in quantum mechanics can be modified in a way that makes them tests of quantum time. We look at single and double slits in time, scattering by time-varying electric and magnetic fields, and the Aharonov-Bohm effect in time.

  20. Quantum Gravitational Optics

    E-Print Network [OSTI]

    Graham M Shore

    2003-04-15

    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.

  1. Quantum Graphs: Applications to Quantum Chaos and Universal Spectral Statistics

    E-Print Network [OSTI]

    Sven Gnutzmann; Uzy Smilansky

    2006-12-15

    During the last years quantum graphs have become a paradigm of quantum chaos with applications from spectral statistics to chaotic scattering and wave function statistics. In the first part of this review we give a detailed introduction to the spectral theory of quantum graphs and discuss exact trace formulae for the spectrum and the quantum-to-classical correspondence. The second part of this review is devoted to the spectral statistics of quantum graphs as an application to quantum chaos. Especially, we summarise recent developments on the spectral statistics of generic large quantum graphs based on two approaches: the periodic-orbit approach and the supersymmetry approach. The latter provides a condition and a proof for universal spectral statistics as predicted by random-matrix theory.

  2. Quantum nonlocality

    SciTech Connect (OSTI)

    Stapp, H.P.

    1988-04-01

    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.

  3. DFT+U Study of CeO2 and Its Native Defects

    E-Print Network [OSTI]

    Huang, Bolong; Gillen, Roland; Robertson, John

    2014-10-14

    , Frenkel defect, pseudopotential transferability, oxidation catalyst 1. Introduction CeO2 is an important lanthanide oxide which is widely used as an oxygen buffer in car exhaust catalysts1, as a fast ion conductor in solid state fuel cells2, as a... as optimization of pseudopotentials47. The PBE functional was chosen for PBE+U calculations with a kinetic cutoff energy of 750eV, which expands the valence electrons states in a plane-wave basis set. The ensemble DFT (EDFT) method of Marzari et al48 is used...

  4. Quantum physics meets biology

    E-Print Network [OSTI]

    Markus Arndt; Thomas Juffmann; Vlatko Vedral

    2009-11-01

    Quantum physics and biology have long been regarded as unrelated disciplines, describing nature at the inanimate microlevel on the one hand and living species on the other hand. Over the last decades the life sciences have succeeded in providing ever more and refined explanations of macroscopic phenomena that were based on an improved understanding of molecular structures and mechanisms. Simultaneously, quantum physics, originally rooted in a world view of quantum coherences, entanglement and other non-classical effects, has been heading towards systems of increasing complexity. The present perspective article shall serve as a pedestrian guide to the growing interconnections between the two fields. We recapitulate the generic and sometimes unintuitive characteristics of quantum physics and point to a number of applications in the life sciences. We discuss our criteria for a future quantum biology, its current status, recent experimental progress and also the restrictions that nature imposes on bold extrapolations of quantum theory to macroscopic phenomena.

  5. Quantum Chaos & Quantum Computers

    E-Print Network [OSTI]

    D. L. Shepelyansky

    2000-06-15

    The standard generic quantum computer model is studied analytically and numerically and the border for emergence of quantum chaos, induced by imperfections and residual inter-qubit couplings, is determined. This phenomenon appears in an isolated quantum computer without any external decoherence. The onset of quantum chaos leads to quantum computer hardware melting, strong quantum entropy growth and destruction of computer operability. The time scales for development of quantum chaos and ergodicity are determined. In spite the fact that this phenomenon is rather dangerous for quantum computing it is shown that the quantum chaos border for inter-qubit coupling is exponentially larger than the energy level spacing between quantum computer eigenstates and drops only linearly with the number of qubits n. As a result the ideal multi-qubit structure of the computer remains rather robust against imperfections. This opens a broad parameter region for a possible realization of quantum computer. The obtained results are related to the recent studies of quantum chaos in such many-body systems as nuclei, complex atoms and molecules, finite Fermi systems and quantum spin glass shards which are also reviewed in the paper.

  6. Quantum Locality?

    SciTech Connect (OSTI)

    Stapp, Henry

    2011-11-10

    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.

  7. Topics in quantum field theory 

    E-Print Network [OSTI]

    Kibble, T. W. B.

    1958-01-01

    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 ...

  8. Quantum Institute

    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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory ofDid youOxygen Generation |Publications The NREL PublicationsPublishedQuantum

  9. Riemann zeta function and quantum chaos

    E-Print Network [OSTI]

    Eugene Bogomolny

    2007-08-30

    A brief review of recent developments in the theory of the Riemann zeta function inspired by ideas and methods of quantum chaos is given.

  10. Quantum Noise in Conventional Optical Heterodyne Devices

    E-Print Network [OSTI]

    Dechao He; Boya Xie; Yu Xiao; Sheng Feng

    2014-10-31

    By invoking the quantum theory of optical coherence, we theoretically show that the quantum noise in conventional optical heterodyne devices, which were previously identified as usual phase-insensitive amplifiers with additional quantum noise, is similar to that in optical homodyne devices, as verified by experimental data. Albeit more study is demanded to understand this result, it is certain that neither the uncertainty principle nor Caves's theorem for quantum noise of linear amplifiers sets a limit to the quantum noise of heterodyne devices.

  11. DFT modeling of adsorption onto uranium metal using large-scale parallel computing

    SciTech Connect (OSTI)

    Davis, N.; Rizwan, U.

    2013-07-01

    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)

  12. Nash equilibrium quantum states and optimal quantum data classification

    E-Print Network [OSTI]

    Faisal Shah Khan

    2015-07-27

    This letter reports a novel application of game theory to quantum informational processes which can be used to optimally classify data generated by these processes. To this end, the notion of simultaneously distinguishing a pure quantum state, generated by a quantum informational process, from its constituent observable states optimally - given the constraint of these observables being orthogonal to each other, is first introduced. This problem is solved via a non-cooperative game model and the affiliated solution concept of Nash equilibrium. The notion of Nash equilibrium quantum states is introduced and used to classify quantum data optimally.

  13. From Classical To Quantum Gravity: Introduction to Loop Quantum Gravity

    E-Print Network [OSTI]

    Kristina Giesel; Hanno Sahlmann

    2013-01-02

    We present an introduction to the canonical quantization of gravity performed in loop quantum gravity, based on lectures held at the 3rd quantum geometry and quantum gravity school in Zakopane in 2011. A special feature of this introduction is the inclusion of new proposals for coupling matter to gravity that can be used to deparametrize the theory, thus making its dynamics more tractable. The classical and quantum aspects of these new proposals are explained alongside the standard quantization of vacuum general relativity in loop quantum gravity.

  14. Plasma analogy and non-Abelian statistics for Ising-type quantum...

    Office of Scientific and Technical Information (OSTI)

    ISING MODEL; PLASMA; QUANTUM FIELD THEORY; QUANTUM STATES; QUASI PARTICLES; STATISTICS; WAVE FUNCTIONS CRYSTAL MODELS; ELECTRICAL PROPERTIES; ENERGY-LEVEL TRANSITIONS; FIELD...

  15. Density Functional Theory investigations of titanium gamma-surfaces and stacking faults

    E-Print Network [OSTI]

    Benoit, Magali; Morillo, Joseph

    2015-01-01

    Properties of hcp-Ti such as elastic constants, stacking faults and gamma-surfaces are computed using Density Functional Theory (DFT) and two central force Embedded Atom interaction Models (EAM). The results are compared to previously published calculations and to predicting models. Their implications on the plastic properties of hcp-Ti are discussed.

  16. Quantum computing for pattern classification

    E-Print Network [OSTI]

    Maria Schuld; Ilya Sinayskiy; Francesco Petruccione

    2014-12-11

    It is well known that for certain tasks, quantum computing outperforms classical computing. A growing number of contributions try to use this advantage in order to improve or extend classical machine learning algorithms by methods of quantum information theory. This paper gives a brief introduction into quantum machine learning using the example of pattern classification. We introduce a quantum pattern classification algorithm that draws on Trugenberger's proposal for measuring the Hamming distance on a quantum computer (CA Trugenberger, Phys Rev Let 87, 2001) and discuss its advantages using handwritten digit recognition as from the MNIST database.

  17. Time in Quantum Mechanics

    E-Print Network [OSTI]

    Curt A. Moyer

    2013-05-23

    The failure of conventional quantum theory to recognize time as an observable and to admit time operators is addressed. Instead of focusing on the existence of a time operator for a given Hamiltonian, we emphasize the role of the Hamiltonian as the generator of translations in time to construct time states. Taken together, these states constitute what we call a timeline, or quantum history, that is adequate for the representation of any physical state of the system. Such timelines appear to exist even for the semi-bounded and discrete Hamiltonian systems ruled out by Pauli's theorem. However, the step from a timeline to a valid time operator requires additional assumptions that are not always met. Still, this approach illuminates the crucial issue surrounding the construction of time operators, and establishes quantum histories as legitimate alternatives to the familiar coordinate and momentum bases of standard quantum theory.

  18. Information and noise in quantum measurement

    E-Print Network [OSTI]

    Holger F. Hofmann

    2000-03-30

    Even though measurement results obtained in the real world are generally both noisy and continuous, quantum measurement theory tends to emphasize the ideal limit of perfect precision and quantized measurement results. In this article, a more general concept of noisy measurements is applied to investigate the role of quantum noise in the measurement process. In particular, it is shown that the effects of quantum noise can be separated from the effects of information obtained in the measurement. However, quantum noise is required to ``cover up'' negative probabilities arising as the quantum limit is approached. These negative probabilities represent fundamental quantum mechanical correlations between the measured variable and the variables affected by quantum noise.

  19. Characterizing and Quantifying Quantum Chaos with Quantum Tomography

    E-Print Network [OSTI]

    Vaibhav Madhok; Carlos A. Riofrío; Ivan H. Deutsch

    2015-06-08

    We explore quantum signatures of classical chaos by studying the rate of information gain in quantum tomography. The tomographic record consists of a time series of expectation values of a Hermitian operator evolving under application of the Floquet operator of a quantum map that possesses (or lacks) time reversal symmetry. We find that the rate of information gain, and hence the fidelity of quantum state reconstruction, depends on the symmetry class of the quantum map involved. Moreover, we find an increase in information gain and hence higher reconstruction fidelities when the Floquet maps employed increase in chaoticity. We make predictions for the information gain and show that these results are well described by random matrix theory in the fully chaotic regime. We derive analytical expressions for bounds on information gain using random matrix theory for different class of maps and show that these bounds are realized by fully chaotic quantum systems.

  20. Tuning Range-Separated Density Functional Theory for Photocatalytic Water Splitting Systems

    E-Print Network [OSTI]

    Bokareva, Olga S; Bokarev, Sergey I; Kühn, Oliver

    2015-01-01

    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.

  1. Theoretical Study of the Inverting Mechanism in a Processive Cellobiohydrolase with Quantum Mechanical Calculations

    SciTech Connect (OSTI)

    Kim, S.; Payne, C. M.; Himmel, M. E.; Crowley, M. F.; Paton, R. S.; Beckham, G. T.

    2012-01-01

    The Hypocrea jecorina Family 6 cellobiohydrolase (Cel6A) is one of most efficient enzymes for cellulose deconstruction to soluble sugars and is thus of significant current interest for the growing biofuels industry. Cel6A is known to hydrolyze b(1,4)-glycosidic linkages in cellulose via an inverting mechanism, but there are still questions that remain regarding the role of water and the catalytic base. Here we study the inverting, single displacement, hydrolytic reaction mechanism in Cel6A using density functional theory (DFT) calculations. The computational model used to follow the reaction is a truncated active site model with several explicit waters based on structural studies of H. jecorina Cel6A. Proposed mechanisms are evaluated with several density functionals. From our calculations, the role of the water in nucleophilic attack on the anomeric carbon, and the roles of several residues in the active site loops are elucidated explicitly for the first time. We also apply quantum mechanical calculations to understand the proton transfer reaction which completes the catalytic cycle.

  2. Quantum measurement and decoherence

    E-Print Network [OSTI]

    G. W. Ford; J. T. Lewis; R. F. O'Connell

    2003-01-13

    Distribution functions defined in accord with the quantum theory of measurement are combined with results obtained from the quantum Langevin equation to discuss decoherence in quantum Brownian motion. Closed form expressions for wave packet spreading and the attenuation of coherence of a pair of wave packets are obtained. The results are exact within the context of linear passive dissipation. It is shown that, contrary to widely accepted current belief, decoherence can occur at high temperature in the absence of dissipation. Expressions for the decoherence time with and without dissipation are obtained that differ from those appearing in earlier discussions.

  3. Hybrid Zinc Phthalocyanine/Zinc Oxide System for Photovoltaic De-vices: a DFT and TDDFPT Theoretical Investigation

    E-Print Network [OSTI]

    Giannozzi, Paolo

    Hybrid Zinc Phthalocyanine/Zinc Oxide System for Photovoltaic De- vices: a DFT and TDDFPT in the functioning of hybrid photovoltaic devices. The molecule-surface interactions are also characterized-inorganic photovoltaic devices (OPV and HPV, respectively) have received enormous re- search attention in the last years

  4. 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

  5. QUANTUM CHAOS IN QUANTUM NETWORKS()

    E-Print Network [OSTI]

    Shepelyansky, Dima

    QUANTUM CHAOS IN QUANTUM NETWORKS() Chepelianskii Alexei Lyc´ee Pierre de Fermat and Quantware MIPS Computers and Quantum Chaos", June 28 - 30, 2001, Villa Olmo, Como, Italy #12;SHORT DESCRIPTION OF THE RESULTS Quantum chaos in a quantum small world We introduce and study a quantum small world model

  6. Quantum field tomography

    E-Print Network [OSTI]

    A. Steffens; C. A. Riofrío; R. Hübener; J. Eisert

    2014-11-06

    We introduce the concept of quantum field tomography, the efficient and reliable reconstruction of unknown quantum fields based on data of correlation functions. At the basis of the analysis is the concept of continuous matrix product states, a complete set of variational states grasping states in quantum field theory. We innovate a practical method, making use of and developing tools in estimation theory used in the context of compressed sensing such as Prony methods and matrix pencils, allowing us to faithfully reconstruct quantum field states based on low-order correlation functions. In the absence of a phase reference, we highlight how specific higher order correlation functions can still be predicted. We exemplify the functioning of the approach by reconstructing randomised continuous matrix product states from their correlation data and study the robustness of the reconstruction for different noise models. We also apply the method to data generated by simulations based on continuous matrix product states and using the time-dependent variational principle. The presented approach is expected to open up a new window into experimentally studying continuous quantum systems, such as encountered in experiments with ultra-cold atoms on top of atom chips. By virtue of the analogy with the input-output formalism in quantum optics, it also allows for studying open quantum systems.

  7. Exploring the interaction between lithium ion and defective graphene surface using dispersion corrected DFT studies

    SciTech Connect (OSTI)

    Vijayakumar, M.; Hu, Jian Z.

    2013-10-15

    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.

  8. Theories of Physics and Impossibilities

    E-Print Network [OSTI]

    Elemer E Rosinger

    2005-12-21

    The role of impossibilities in theories of Physics is mentioned and a recent result is recalled in which Quantum Mechanics is characterized by three information-theoretic impossibilities. The inconvenience of the asymmetries established by such impossibilities is pointed out.

  9. Lecture Notes in Quantum Mechanics

    E-Print Network [OSTI]

    Doron Cohen

    2013-08-27

    These lecture notes cover undergraduate textbook topics (e.g. as in Sakurai), and also additional advanced topics at the same level of presentation. In particular: EPR and Bell; Basic postulates; The probability matrix; Measurement theory; Entanglement; Quantum computation; Wigner-Weyl formalism; The adiabatic picture; Berry phase; Linear response theory; Kubo formula; Modern approach to scattering theory with mesoscopic orientation; Theory of the resolvent and the Green function; Gauge and Galilei Symmetries; Motion in magnetic field; Quantum Hall effect; Quantization of the electromagnetic field; Fock space formalism.

  10. Pressure dependent elastic constants of alpha and gamma cyclotrimethylene trinitramine: A quantum mechanical study

    SciTech Connect (OSTI)

    Taylor, DeCarlos E., E-mail: decarlos.e.taylor.civ@mail.mil [U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States)

    2014-08-07

    The elastic constants of the ? and ? polymorphs of cyclotrimethylene trinitramine (RDX) have been computed using dispersion corrected density functional theory (DFT). The DFT results validate the values obtained in several experiments using ultrasonic and impulsive stimulated thermal scattering techniques and disagree with those obtained using Brillouin scattering which, in general, exceed the other experimental and theoretical results. Compressibility diagrams at zero pressure are presented for the ab, ac, and bc crystallographic planes, and the anisotropic linear compressibility within the ac plane of ?-RDX at 0?GPa, observed using ultrasonic and impulsive stimulated thermal scattering measurements, is verified using DFT. The pressure dependence of the elastic constants of ?-RDX (0–4?GPa) and ?-RDX (4–8?GPa) is also presented.

  11. Double Field Theory on Group Manifolds (Thesis)

    E-Print Network [OSTI]

    Hassler, Falk

    2015-01-01

    This thesis deals with Double Field Theory (DFT), an effective field theory capturing the low energy dynamics of closed strings on a torus. It renders T-duality on a torus manifest by adding $D$ winding coordinates in addition to the $D$ space time coordinates. An essential consistency constraint of the theory, the strong constraint, only allows for field configurations which depend on half of the coordinates of the arising doubled space. I derive DFT${}_\\mathrm{WZW}$, a generalization of the current formalism. It captures the low energy dynamics of a closed bosonic string propagating on a compact group manifold. Its classical action and the corresponding gauge transformations arise from Closed String Field Theory up to cubic order in the massless fields. These results are rewritten in terms of a generalized metric and extended to all orders in the fields. There is an explicit distinction between background and fluctuations. For the gauge algebra to close, the latter have to fulfill a modified strong constrai...

  12. Real-time linear response for time-dependent density-functional theory Department of Physical Chemistry and the Lise Meitner Minerva-Center for Quantum Chemistry,

    E-Print Network [OSTI]

    Baer, Roi

    Real-time linear response for time-dependent density-functional theory Roi Baer Department a linear-response approach for time-dependent density-functional theories using time-adiabatic functionals describing the evolution is not strictly linear in the wave function representation. Only after going

  13. QUANTUM MECHANICS WITHOUT STATISTICAL POSTULATES

    SciTech Connect (OSTI)

    G. GEIGER; ET AL

    2000-11-01

    The Bohmian formulation of quantum mechanics describes the measurement process in an intuitive way without a reduction postulate. Due to the chaotic motion of the hidden classical particle all statistical features of quantum mechanics during a sequence of repeated measurements can be derived in the framework of a deterministic single system theory.

  14. Strong reactions in quantum super PDEs. III: Exotic quantum supergravity

    E-Print Network [OSTI]

    Agostino Prástaro

    2015-03-23

    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.

  15. Playing Prisoner's Dilemma with Quantum Rules

    E-Print Network [OSTI]

    Jiangfeng Du; Xiaodong Xu; Hui Li; Xianyi Zhou; Rongdian Han

    2003-01-11

    Quantum game theory is a recently developing field of physical research. In this paper, we investigate quantum games in a systematic way. With the famous instance of the Prisoner's Dilemma, we present the fascinating properties of quantum games in different conditions, i.e. different number of the players, different strategic space of the players and different amount of the entanglement involved.

  16. Hetero-twin formation during growth of nano-scale Al-TiN composites - experimental and DFT studies

    SciTech Connect (OSTI)

    Bhattacharyya, Dhriti [Los Alamos National Laboratory; Liu, Xiang - Yang [Los Alamos National Laboratory; Hoagland, Richard G [Los Alamos National Laboratory; Misra, Amit [Los Alamos National Laboratory; Genc, A [MSE, OSU; Fraser, H L [MSE, OSU

    2009-01-01

    It is well known that high stacking fault energy metals such as Al do not form either growth twins or mechanical twins easily. Although mechanical twins in nanocrystalline Al have been observed under certain conditions, growth twins have never been observed. In this work, the authors report for the first time, through transmission electron microscopy (TEM), that Al layers, when deposited on TiN layers, tend to grow in a twin relationship to both the TiN layer and the underlying Al layer. The TiN layers assume the orientation of the Al layers below. Calculations using density functional theory (DFT) show that nitrogen termination in the {l_brace}111{r_brace} growth plane of the TiN layers favors the growth of twin oriented Al layers over these TiN layers. This finding provides a way to create a twin-modulated structure in Al with the inclusion of intermediate nm-scale layer of an ionic solid such as TiN. Al metal is resistant to twinning, as it has a high stacking fault energy (SFE) of > 150 mJ/m. Although twins have been observed in nano-scale grains of Al, and predicted by molecular dynamics (MD) simulations in conditions when the nanoscale grains are plastically deformed, no process or phenomenon has been reported yet in which the deposition of an intermediate layer of a different material phase causes the subsequent layer of Al to be deposited in the twin orientation. The authors show in this paper that it is possible to form Al layers in twin orientation to each other across polar TiN layers, if these are grown so that both the Al and TiN layers have a {l_brace}111{r_brace} surface as their growth front. Since the deposition of Al and TiN layers is used in the formation of diffusion barriers, and the mechanical properties of these nanoscale multilayers are also seen to be exceptional, it is important to investigate and understand their structure at the nanometer length scale, and thence to be able to control it. Moreover, these findings point out a method of introducing nano-scale twins in high SFE materials in general, and can potentially improve the properties of nano-layered materials.

  17. Polymer Quantum Mechanics and its Continuum Limit

    E-Print Network [OSTI]

    Alejandro Corichi; Tatjana Vukasinac; Jose A. Zapata

    2007-08-22

    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.

  18. From the Academy Random matrices and quantum chaos

    E-Print Network [OSTI]

    Marklof, Jens

    From the Academy Random matrices and quantum chaos Thomas Kriecherbauer*, Jens Marklof appearances of random matrices, namely in the theory of quantum chaos and in the theory of prime numbers, in fact, are not only used to describe statistical properties of physical systems (e.g., in quantum chaos

  19. Simulating chemistry using quantum computers

    E-Print Network [OSTI]

    Ivan Kassal; James D. Whitfield; Alejandro Perdomo-Ortiz; Man-Hong Yung; Alán Aspuru-Guzik

    2010-07-15

    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.

  20. Quantum Renormalization Group

    E-Print Network [OSTI]

    Nagy, S; Steib, I

    2015-01-01

    The observed IR and the spectator UV particles of a regulated, cutoff quantum field theory are entangled hence the IR sector alone can be described by the help of the density matrix only. The tree-level renormalized trajectory is obtained for a self interacting scalar field theory, containing the mixed state contributions. One needs a sharp cutoff in the momentum space as regulator to realize the true loss of information.

  1. Quantum chaos and critical behavior on a chip Neill Lambert,1 Yueh-nan Chen,2 Robert Johansson,1 and Franco Nori1,3

    E-Print Network [OSTI]

    Nori, Franco

    Quantum chaos and critical behavior on a chip Neill Lambert,1 Yueh-nan Chen,2 Robert Johansson,1, such as quantum phase transitions1 and quantum chaos,2 is an important part of quantum many-body theory. Recently

  2. Financial Market Modeling with Quantum Neural Networks

    E-Print Network [OSTI]

    Gonçalves, Carlos Pedro

    2015-01-01

    Econophysics has developed as a research field that applies the formalism of Statistical Mechanics and Quantum Mechanics to address Economics and Finance problems. The branch of Econophysics that applies of Quantum Theory to Economics and Finance is called Quantum Econophysics. In Finance, Quantum Econophysics' contributions have ranged from option pricing to market dynamics modeling, behavioral finance and applications of Game Theory, integrating the empirical finding, from human decision analysis, that shows that nonlinear update rules in probabilities, leading to non-additive decision weights, can be computationally approached from quantum computation, with resulting quantum interference terms explaining the non-additive probabilities. The current work draws on these results to introduce new tools from Quantum Artificial Intelligence, namely Quantum Artificial Neural Networks as a way to build and simulate financial market models with adaptive selection of trading rules, leading to turbulence and excess ku...

  3. Quantum measurement and its role in thermodynamics

    E-Print Network [OSTI]

    Philipp Kammerlander; Janet Anders

    2015-02-09

    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.

  4. Density functional theory based generalized effective fragment potential method

    SciTech Connect (OSTI)

    Nguyen, Kiet A. E-mail: ruth.pachter@wpafb.af.mil; Pachter, Ruth E-mail: ruth.pachter@wpafb.af.mil; Day, Paul N.

    2014-06-28

    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.

  5. Static Quantum Games Revisited

    E-Print Network [OSTI]

    Marcin Markiewicz; Adrian Kosowski; Tomasz Tylec; Jaroslaw Pykacz; Cyril Gavoille

    2010-03-23

    The so called \\emph{quantum game theory} has recently been proclaimed as one of the new branches in the development of both quantum information theory and game theory. However, the notion of a quantum game itself has never been strictly defined, which has led to a lot of conceptual confusion among different authors. In this paper we introduce a new conceptual framework of a \\emph{scenario} and an \\emph{implementation} of a game. It is shown that the procedures of "quantization" of games proposed in the literature lead in fact to several different games which can be defined within the same scenario, but apart from this they may have nothing in common with the original game. Within the framework we put forward, a lot of conceptual misunderstandings that have arisen around "quantum games" can be stated clearly and resolved uniquely. In particular, the proclaimed essential role of entanglement in several static "quantum games", and their connection with Bell inequalities, is disproved.

  6. Nonlinear effect on quantum control for two-level systems

    E-Print Network [OSTI]

    W. Wang; J. Shen; X. X. Yi

    2009-06-05

    The traditional quantum control theory focuses on linear quantum system. Here we show the effect of nonlinearity on quantum control of a two-level system, we find that the nonlinearity can change the controllability of quantum system. Furthermore, we demonstrate that the Lyapunov control can be used to overcome this uncontrollability induced by the nonlinear effect.

  7. Green's Functions and Their Applications to Quantum Mechanics

    E-Print Network [OSTI]

    Morrow, James A.

    Green's Functions and Their Applications to Quantum Mechanics Jeff Schueler June 2, 2011 Contents 1 Green's Functions in Quantum Mechanics and Many-body Theory 8 3.1 Time Independent Green's Fuctions, specifically in how they apply to quantum mechan- ics. I plan to introduce some of the fundamentals of quantum

  8. Coupled mode theory for photonic crystal cavity-waveguide interaction

    E-Print Network [OSTI]

    Waks, Edo

    for cavity quantum electrodynamics with a single quantum dot," App. Phys. Lett. 82, 2374­2376 (2003). 4. T and single-line defect waveguide on inp membranes," IEEE J. Quantum Electron. 38 811­815 (2002) 7. B.K. Min. Quantum Elec- tron. 35, 1322 (1999) 10. Y. Xu et al. "Scattering-theory analysis of waveguide

  9. Negative Energies and Field Theory

    E-Print Network [OSTI]

    Gerald E. Marsh

    2008-11-20

    The assumption that the vacuum is the minimum energy state, invariant under unitary transformations, is fundamental to quantum field theory. However, the assertion that the conservation of charge implies that the equal time commutator of the charge density and its time derivative vanish for two spatially separated points is inconsistent with the requirement that the vacuum be the lowest energy state. Yet, for quantum field theory to be gauge invariant, this commutator must vanish. This essay explores how this conundrum is resolved in quantum electrodynamics.

  10. THE JOURNAL OF CHEMICAL PHYSICS 134, 134701 (2011) Binding of hydrogen on benzene, coronene, and graphene from quantum

    E-Print Network [OSTI]

    Alfè, Dario

    2011-01-01

    the binding energy curves of hydrogen on benzene, coronene, and graphene. The DMC results on benzene agree well with MP2, giving an adsorption energy of 40 meV. For physisorbed hydrogen on graphene, DMC predicts a very small adsorption energy of only 5 ± 5 meV. Density functional theory (DFT) calculations

  11. Structure and Binding Site of Acetate on Pd(111) Determined Using Density Functional Theory and Low Energy Electron Diffraction

    E-Print Network [OSTI]

    Saldin, Dilano

    , University of Wisconsin ­ Milwaukee, Milwaukee, WI 53211, USA 4 National Energy Technology Laboratory and Low Energy Electron Diffraction Joanna James1 , Dilano K. Saldin2 , T. Zheng3 , W. T. Tysoe3 Theory (DFT) calculations have played a key role in the growing list of surface species whose structure

  12. Far-from-equilibrium field theory of many-body quantum spin systems: Prethermalization and relaxation of spin spiral states in three dimensions

    E-Print Network [OSTI]

    Mehrtash Babadi; Eugene Demler; Michael Knap

    2015-10-13

    We study theoretically the far-from-equilibrium relaxation dynamics of spin spiral states in the three dimensional isotropic Heisenberg model. The investigated problem serves as an archetype for understanding quantum dynamics of isolated many-body systems in the vicinity of a spontaneously broken continuous symmetry. We present a field-theoretical formalism that systematically improves on mean-field for describing the real-time quantum dynamics of generic spin-1/2 systems. This is achieved by mapping spins to Majorana fermions followed by a 1/N expansion of the resulting two-particle irreducible (2PI) effective action. Our analysis reveals rich fluctuation-induced relaxation dynamics in the unitary evolution of spin spiral states. In particular, we find the sudden appearance of long-lived prethermalized plateaus with diverging lifetimes as the spiral winding is tuned toward the thermodynamically stable ferro- or antiferromagnetic phases. The emerging prethermalized states are characterized by different bosonic modes being thermally populated at different effective temperatures, and by a hierarchical relaxation process reminiscent of glassy systems. Spin-spin correlators found by solving the non-equilibrium Bethe-Salpeter equation provide further insight into the dynamic formation of correlations, the fate of unstable collective modes, and the emergence of fluctuation-dissipation relations. Our predictions can be verified experimentally using recent realizations of spin spiral states with ultracold atoms in a quantum gas microscope [S. Hild, et al. Phys. Rev. Lett. 113, 147205 (2014)].

  13. Quantum cosmology: a review

    E-Print Network [OSTI]

    Martin Bojowald

    2015-01-20

    In quantum cosmology, one applies quantum physics to the whole universe. While no unique version and no completely well-defined theory is available yet, the framework gives rise to interesting conceptual, mathematical and physical questions. This review presents quantum cosmology in a new picture that tries to incorporate the importance of inhomogeneity: De-emphasizing the traditional minisuperspace view, the dynamics is rather formulated in terms of the interplay of many interacting "microscopic" degrees of freedom that describe the space-time geometry. There is thus a close relationship with more-established systems in condensed-matter and particle physics even while the large set of space-time symmetries (general covariance) requires some adaptations and new developments. These extensions of standard methods are needed both at the fundamental level and at the stage of evaluating the theory by effective descriptions.

  14. Quantum Chaos in a Yang--Mills--Higgs System Luca Salasnich 1

    E-Print Network [OSTI]

    Quantum Chaos in a Yang--Mills--Higgs System Luca Salasnich 1 Dipartimento di Matematica Pura ed to quantum chaos, i.e. the study of properties of quantum systems which are classically chaotic 9 theory 13) . In this paper we study quantum chaos in a field--theory schematic model. We analyze

  15. Quantum Criticality and Black Holes

    ScienceCinema (OSTI)

    Sachdev, Subir [Harvard University, Cambridge, Massachusetts, United States

    2009-09-01

    I will describe the behavior of a variety of condensed matter systems in the vicinity of zero temperature quantum phase transitions. There is a remarkable analogy between the hydrodynamics of such systems and the quantum theory of black holes. I will show how insights from this analogy have shed light on recent experiments on the cuprate high temperature superconductors. Studies of new materials and trapped ultracold atoms are yielding new quantum phases, with novel forms of quantum entanglement. Some materials are of technological importance: e.g. high temperature superconductors. Exact solutions via black hole mapping have yielded first exact results for transport coefficients in interacting many-body systems, and were valuable in determining general structure of hydrodynamics. Theory of VBS order and Nernst effect in cuprates. Tabletop 'laboratories for the entire universe': quantum mechanics of black holes, quark-gluon plasma, neutrons stars, and big-bang physics.

  16. Quantum chemistry studies of the O K-edge X-ray absorption in WO3 and AWO3

    E-Print Network [OSTI]

    Bocharov, Dmitry; Purans, Juris; Zhukovskii, Yuri; 10.1117/12.815297

    2010-01-01

    In this work we present an interpretation of experimental O K-edge x-ray absorption near edge structure (XANES) in perovskite-type WO3 and AWO3 compounds (A = H and Na) using three different first principles approaches: (i) full-multiple-scattering (FMS) formalism (the real-space FEFF code), (ii) hybrid density functional theory (DFT) method with partial incorporation of exact Hartree-Fock exchange using formalism of the linear combination of atomic orbitals (LCAO) as implemented in the CRYSTAL code; (iii) plane-wave DFT method using formalism of the projector-augmented waves (PAW) as implemented in the VASP code.

  17. Test of the Quantum Chaoticity Criterion for Diamagnetic Kepler Problem

    E-Print Network [OSTI]

    V. E. Bunakov; I. B. Ivanov; R. B. Panin

    2000-03-29

    The earlier suggested criterion of quantum chaoticity, borrowed from the nuclear compound resonance theory, is used in the analysis of the quantum diamagnetic Kepler problem (the spinless charged particle motion in the Coulomb and homogenious magnetic fields).

  18. Do quantum strategies always win?

    E-Print Network [OSTI]

    Namit Anand; Colin Benjamin

    2015-08-11

    In a seminal paper, Meyer [David Meyer, Phys. Rev. Lett. 82, 1052 (1999)] described the advantages of quantum game theory by looking at the classical penny flip game. A player using a quantum strategy can win against a classical player almost 100\\% of the time. Here we make a slight modification to the quantum game, with the two players sharing an entangled state to begin with. We then analyze two different scenarios, first in which quantum player makes unitary transformations to his qubit while the classical player uses a pure strategy of either flipping or not flipping the state of his qubit. In this case the quantum player always wins against the classical player. In the second scenario we have the quantum player making similar unitary transformations while the classical player makes use of a mixed strategy wherein he either flips or not with some probability "p". We show that in the second scenario, 100\\% win record of a quantum player is drastically reduced and for a particular probability "p" the classical player can even win against the quantum player. This is of possible relevance to the field of quantum computation as we show that in this quantum game of preserving versus destroying entanglement a particular classical algorithm can beat the quantum algorithm.

  19. First principles DFT study of ferromagnetism in SnO{sub 2} induced by doped group 1A and 2A non-magnetic elements X (X=Li, Na, K, Be, Mg, Ca)

    SciTech Connect (OSTI)

    Chakraborty, Brahmananda Ramaniah, Lavanya M.

    2014-04-24

    Transition metal - free - ferromagnetism in diluted magnetic semiconductors (DMS) is of much current interest in the search for more efficient DMS materials for spintronic applications. Here, we report the results of our first principles density functional theory (DFT) study on impurity - induced ferromagnetism in non-magnetic SnO{sub 2} by a non-magnetic impurity. The impurities considered are sp-type of group 1A and 2A elements X (X = Li, Na, K, Be, Mg, Ca). Even a single atom of the group 1A elements makes the system magnetic, whereas for the group 2A elements Ca and Mg, a higher doping is required to induce ferromagnetism. For all the elements studied, the magnetic moment appears to increase with the doping concentration, at least at certain impurity separations, which is a positive indicator for practical applications.

  20. Quantum Techniques for Stochastic Mechanics

    E-Print Network [OSTI]

    John C. Baez; Jacob Biamonte

    2015-10-22

    Some ideas from quantum theory are just beginning to percolate back to classical probability theory. For example, there is a widely used and successful theory of "chemical reaction networks", which describes the interactions of molecules in a stochastic rather than quantum way. Computer science and population biology use the same ideas under a different name: "stochastic Petri nets". But if we look at these theories from the perspective of quantum theory, they turn out to involve creation and annihilation operators, coherent states and other well-known ideas - but in a context where probabilities replace amplitudes. We explain this connection as part of a detailed analogy between quantum mechanics and stochastic mechanics. We use this analogy to present new proofs of two major results in the theory of chemical reaction networks: the deficiency zero theorem and the Anderson-Craciun-Kurtz theorem. We also study the overlap of quantum mechanics and stochastic mechanics, which involves Hamiltonians that can generate either unitary or stochastic time evolution. These Hamiltonians are called "Dirichlet forms", and they arise naturally from electrical circuits made only of resistors.

  1. Quantum Lyapunov Exponents

    E-Print Network [OSTI]

    P. Falsaperla; G. Fonte; G. Salesi

    2007-01-16

    We show that it is possible to associate univocally with each given solution of the time-dependent Schroedinger equation a particular phase flow ("quantum flow") of a non-autonomous dynamical system. This fact allows us to introduce a definition of chaos in quantum dynamics (quantum chaos), which is based on the classical theory of chaos in dynamical systems. In such a way we can introduce quantities which may be appelled "Quantum Lyapunov Exponents". Our approach applies to a non-relativistic quantum-mechanical system of n charged particles; in the present work numerical calculations are performed only for the hydrogen atom. In the computation of the trajectories we first neglect the spin contribution to chaos, then we consider the spin effects in quantum chaos. We show how the quantum Lyapunov exponents can be evaluated and give several numerical results which describe some properties found in the present approach. Although the system is very simple and the classical counterpart is regular, the most non-stationary solutions of the corresponding Schroeodinger equation are "chaotic" according to our definition.

  2. Quantum structural methods for atoms and molecules 1907 Quantum structural methods for atoms and molecules

    E-Print Network [OSTI]

    Simons, Jack

    of these states with electromagnetic fields lie within the realm of quantum structure theory. B3 and molecules Jack Simons B3.1.1 What does quantum chemistry try to do? Electronic structure theory describes, the fundamental assumption of the Born­Oppenheimer model is valid, but for loosely held (e.g. Rydberg) electrons

  3. The relation between quantum mechanics and higher brain functions: Lessons from quantum computation and

    E-Print Network [OSTI]

    Koch, Christof

    . Quantum Mechanics Quantum mechanics is, in the framework of this essay, the basic theory of all low-energy and Applied Science, California Institute of Technology, Pasadena, CA 91125, USA. To whom all correspondence `text-book theory' of atoms, electrons and photons, below the energy for pair creation of massive

  4. Brane-world Quantum Gravity

    E-Print Network [OSTI]

    M. D. Maia; Nildsen Silva; M. C. B. Fernandes

    2007-04-10

    The Arnowitt-Deser-Misner canonical formulation of general relativity is extended to the covariant brane-world theory in arbitrary dimensions. The exclusive probing of the extra dimensions makes a substantial difference, allowing for the construction of a non-constrained canonical theory. The quantum states of the brane-world geometry are defined by the Tomonaga-Schwinger equation, whose integrability conditions are determined by the classical perturbations of submanifolds contained in the Nash's differentiable embedding theorem. In principle, quantum brane-world theory can be tested by current experiments in astrophysics and by near future laboratory experiments at Tev energy. The implications to the black-hole information loss problem, to the accelerating cosmology, and to a quantum mathematical theory of four-sub manifolds are briefly commented.

  5. A Systematic Study of Chloride Ion Solvation in Water using van der Waals Inclusive Hybrid Density Functional Theory

    E-Print Network [OSTI]

    Bankura, Arindam; DiStasio, Robert A; Swartz, Charles W; Klein, Michael L; Wu, Xifan

    2015-01-01

    In this work, the solvation and electronic structure of the aqueous chloride ion solution was investigated using Density Functional Theory (DFT) based \\textit{ab initio} molecular dynamics (AIMD). From an analysis of radial distribution functions, coordination numbers, and solvation structures, we found that exact exchange ($E_{\\rm xx}$) and non-local van der Waals (vdW) interactions effectively \\textit{weaken} the interactions between the Cl$^-$ ion and the first solvation shell. With a Cl-O coordination number in excellent agreement with experiment, we found that most configurations generated with vdW-inclusive hybrid DFT exhibit 6-fold coordinated distorted trigonal prism structures, which is indicative of a significantly disordered first solvation shell. By performing a series of band structure calculations on configurations generated from AIMD simulations with varying DFT potentials, we found that the solvated ion orbital energy levels (unlike the band structure of liquid water) strongly depend on the un...

  6. Density functional theory study of transition metal porphine adsorption on gold surface and electric field induced conformation changes.

    SciTech Connect (OSTI)

    Batista, Victor S. (Yale University, New Haven, CT); Chandross, Michael Evan; Leung, Kevin; Sporviero, Eduardo (Yale University, New Haven, CT); Schultz, Peter Andrew; Rempe, Susan B.

    2005-06-01

    We apply density functional theory (DFT) and the DFT+U technique to study the adsorption of transition metal porphine molecules on atomistically flat Au(111) surfaces. DFT calculations using the Perdew?Burke?Ernzerhof exchange correlation functional correctly predict the palladium porphine (PdP) low-spin ground state. PdP is found to adsorb preferentially on gold in a flat geometry, not in an edgewise geometry, in qualitative agreement with experiments on substituted porphyrins. It exhibits no covalent bonding to Au(111), and the binding energy is a small fraction of an electronvolt. The DFT+U technique, parametrized to B3LYP-predicted spin state ordering of the Mn d-electrons, is found to be crucial for reproducing the correct magnetic moment and geometry of the isolated manganese porphine (MnP) molecule. Adsorption of Mn(II)P on Au(111) substantially alters the Mn ion spin state. Its interaction with the gold substrate is stronger and more site-specific than that of PdP. The binding can be partially reversed by applying an electric potential, which leads to significant changes in the electronic and magnetic properties of adsorbed MnP and 0.1 {angstrom} changes in the Mn-nitrogen distances within the porphine macrocycle. We conjecture that this DFT+U approach may be a useful general method for modeling first-row transition metal ion complexes in a condensed-matter setting.

  7. The Early Years of String Theory: A Personal Perspective

    E-Print Network [OSTI]

    John H. Schwarz

    2009-04-03

    This article surveys some of the highlights in the development of string theory through the first superstring revolution in 1984. The emphasis is on topics in which the author was involved, especially the observation that critical string theories provide consistent quantum theories of gravity and the proposal to use string theory to construct a unified theory of all fundamental particles and forces.

  8. Effective field theory for dilute fermions with pairing

    SciTech Connect (OSTI)

    Furnstahl, R.J. [Department of Physics, Ohio State University, Columbus, OH 43210 (United States)], E-mail: furnstahl.1@osu.edu; Hammer, H.-W. [Helmholtz-Institut fuer Strahlen- und Kernphysik (Theorie), Universitaet Bonn, Nussallee 14-16, D-53115 Bonn (Germany)], E-mail: hammer@itkp.uni-bonn.de; Puglia, S.J. [SBIG PLC, Berkeley Square House, London W1J 6BR (United Kingdom)], E-mail: spuglia@sbiguk.com

    2007-11-15

    Effective field theory (EFT) methods for a uniform system of fermions with short-range, natural interactions are extended to include pairing correlations, as part of a program to develop a systematic Kohn-Sham density functional theory (DFT) for medium and heavy nuclei. An effective action formalism for local composite operators leads to a free-energy functional that includes pairing by applying an inversion method order by order in the EFT expansion. A consistent renormalization scheme is demonstrated for the uniform system through next-to-leading order, which includes induced-interaction corrections to pairing.

  9. Physicalism versus quantum mechanics

    E-Print Network [OSTI]

    Henry P. Stapp

    2008-03-11

    In the context of theories of the connection between mind and brain, physicalism is the demand that all is basically purely physical. But the concept of "physical" embodied in this demand is characterized essentially by the properties of the physical that hold in classical physical theories. Certain of these properties contradict the character of the physical in quantum mechanics, which provides a better, more comprehensive, and more fundamental account of phenomena. It is argued that the difficulties that have plaged physicalists for half a century, and that continue to do so, dissolve when the classical idea of the physical is replaced by its quantum successor. The argument is concretized in a way that makes it accessible to non-physicists by exploiting the recent evidence connecting our conscious experiences to macroscopic measurable synchronous oscillations occurring in well-separated parts of the brain. A specific new model of the mind-brain connection that is fundamentally quantum mechanical but that ties conscious experiences to these macroscopic synchronous oscillations is used to illustrate the essential disparities between the classical and quantum notions of the physical, and in particular to demonstrate the failure in the quantum world of the principle of the causal closure of the physical, a failure that goes beyond what is entailed by the randomness in the outcomes of observations, and that accommodates the efficacy in the brain of conscious intent.

  10. Quantum nonlocal effects on optical properties of spherical nanoparticles

    SciTech Connect (OSTI)

    Moradi, Afshin

    2015-02-15

    To study the scattering of electromagnetic radiation by a spherical metallic nanoparticle with quantum spatial dispersion, we develop the standard nonlocal Mie theory by allowing for the excitation of the quantum longitudinal plasmon modes. To describe the quantum nonlocal effects, we use the quantum longitudinal dielectric function of the system. As in the standard Mie theory, the electromagnetic fields are expanded in terms of spherical vector wavefunctions. Then, the usual Maxwell boundary conditions are imposed plus the appropriate additional boundary conditions. Examples of calculated extinction spectra are presented, and it is found that the frequencies of the subsidiary peaks, due to quantum bulk plasmon excitations exhibit strong dependence on the quantum spatial dispersion.

  11. Quantum Gravito-Optics: A Light Route from Semiclassical Gravity to Quantum Gravity

    E-Print Network [OSTI]

    C. S. Unnikrishnan; George T. Gillies

    2015-08-03

    Quantum gravity remains an elusive theory, in spite of our thorough understanding of the quantum theory and the general theory of relativity separately, presumably due to the lack of any observational clues. We argue that the theory of quantum gravity has a strong constraining anchor in the sector of gravitational radiation ensuring reliable physical clues, albeit in a limited observable form. In particular, all types of gravitational waves expected to be observable in LIGO-like advanced detectors are fully quantum mechanical states of radiation. Exact equivalence of the full quantum gravity theory with the familiar semiclassical theory is ensured in the radiation sector, in most real situations where the relevant quantum operator functions are normal ordered, by the analogue of the optical equivalence theorem in quantum optics. We show that this is indeed the case for detection of the waves from a massive binary system, a single gravitational atom, that emits coherent radiation. The idea of quantum-gravitational optics can assist in guiding along the fuzzy roads to quantum gravity.

  12. Divergences of generalized quantum electrodynamics on the Lorenz gauge

    SciTech Connect (OSTI)

    Bufalo, R.; Pimentel, B. M.; Zambrano, G. E.

    2013-03-25

    In this paper we study the Generalized Quantum Electrodynamics (GQED4) on the Lorenz gauge condition and show that divergences are still present in the theory.

  13. Scalable, High-Speed Measurement-Based Quantum Computer Using...

    Office of Scientific and Technical Information (OSTI)

    University of Toronto, Toronto, Ontario M5S 1A7 (Canada) 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; CALCIUM IONS; INFORMATION THEORY; MULTI-PHOTON PROCESSES;...

  14. Theory and fabrication of evanescently-coupled photoluminescent devices

    E-Print Network [OSTI]

    Friend, David Harry

    2008-01-01

    This thesis discusses the theory and implementation of evanescently-coupled photoluminescent devices. We demonstrate the feasibility of efficient, spectrally tunable lighting devices through quantum dot photoluminescence. ...

  15. Surface plasmon oscillations on a quantum plasma half-space

    SciTech Connect (OSTI)

    Moradi, Afshin

    2015-01-15

    We investigate the propagation of surface electrostatic oscillations on a quantum plasma half-space, taking into account the quantum effects. We derive the quantum surface wave frequencies of the system, by means the quantum hydrodynamic theory in conjunction with the Poisson equation and applying the appropriate additional quantum boundary conditions. Numerical results show in the presence of the slow nonlocal variations, plasmon wave energies of the system are significantly modified and plasmonic oscillations with blue-shifted frequencies emerge.

  16. Treating Time Travel Quantum Mechanically

    E-Print Network [OSTI]

    John-Mark A. Allen

    2014-10-10

    The fact that closed timelike curves (CTCs) are permitted by general relativity raises the question as to how quantum systems behave when time travel to the past occurs. Research into answering this question by utilising the quantum circuit formalism has given rise to two theories: Deutschian-CTCs (D-CTCs) and "postselected" CTCs (P-CTCs). In this paper the quantum circuit approach is thoroughly reviewed, and the strengths and shortcomings of D-CTCs and P-CTCs are presented in view of their non-linearity and time travel paradoxes. In particular, the "equivalent circuit model"---which aims to make equivalent predictions to D-CTCs, while avoiding some of the difficulties of the original theory---is shown to contain errors. The discussion of D-CTCs and P-CTCs is used to motivate an analysis of the features one might require of a theory of quantum time travel, following which two overlapping classes of new theories are identified. One such theory, the theory of "transition probability" CTCs (T-CTCs), is fully developed. The theory of T-CTCs is shown not to have certain undesirable features---such as time travel paradoxes, the ability to distinguish non-orthogonal states with certainty, and the ability to clone or delete arbitrary pure states---that are present with D-CTCs and P-CTCs. The problems with non-linear extensions to quantum mechanics are discussed in relation to the interpretation of these theories, and the physical motivations of all three theories are discussed and compared.

  17. Quantum Chaos and Quantum Algorithms

    E-Print Network [OSTI]

    Daniel Braun

    2001-10-05

    It was recently shown (quant-ph/9909074) that parasitic random interactions between the qubits in a quantum computer can induce quantum chaos and put into question the operability of a quantum computer. In this work I investigate whether already the interactions between the qubits introduced with the intention to operate the quantum computer may lead to quantum chaos. The analysis focuses on two well--known quantum algorithms, namely Grover's search algorithm and the quantum Fourier transform. I show that in both cases the same very unusual combination of signatures from chaotic and from integrable dynamics arises.

  18. Trends in Covalency for d- and f-Element Metallocene Dichlorides Identified Using Chlorine K-Edge X-Ray Absorption Spectroscopy and Time Dependent-Density Functional Theory

    SciTech Connect (OSTI)

    Kozimor, Stosh A.; Yang, Ping; Batista, Enrique R.; Boland, Kevin S.; Burns, Carol J.; Clark, David L.; Conradson, Steven D.; Martin, Richard L.; Wikerson, Marianne P.; Wolfsberg, Laura E.

    2009-09-02

    We describe the use of Cl K-edge X-ray Absorption Spectroscopy (XAS) and both ground state and time-dependent hybrid density functional theory (DFT) to probe electronic structure and determine the degree of orbital mixing in M-Cl bonds for (C5Me5)2MCl2 (M = Ti, 1; Zr, 2; Hf, 3; Th, 4; and U, 5), where we can directly compare a class of structurally similar compounds for d- and f-elements. We report direct experimental evidence for covalency in M-Cl bonding, including actinides, and offer insight into the relative roles of the valence f- and dorbitals in these systems. The Cl K-edge XAS data for the group IV transition metals, 1 – 3, show slight decreases in covalency in M-Cl bonding with increasing principal quantum number, in the order Ti > Zr > Hf. The percent Cl 3p character per M-Cl bond was experimentally determined to be 25, 23, and 22% per M-Cl bond for 1-3, respectively. For actinides, we find a shoulder on the white line for (C5Me5)2ThCl2, 4, and distinct, but weak pre-edge features for 2 (C5Me5)2UCl2, 5. The percent Cl 3p character in Th-Cl bonds in 4 was determined to be 14 %, with high uncertainty, while the U-Cl bonds in 5 contains 9 % Cl 3p character. The magnitudes of both values are approximately half what was observed for the transition metal complexes in this class of bent metallocene dichlorides. Using the hybrid DFT calculations as a guide to interpret the experimental Cl K-edge XAS, these experiments suggest that when evaluating An- Cl bonding, both 5f- and 6d-orbitals should be considered. For (C5Me5)2ThCl2, the calculations and XAS indicate that the 5f- and 6d-orbitals are nearly degenerate and heavily mixed. In contrast, the 5f- and 6d-orbitals in (C5Me5)2UCl2 are no longer degenerate, and fall in two distinct energy groupings. The 5f-orbitals are lowest in energy and split into a 5-over-2 pattern with the high lying U 6d-orbitals split in a 4-over-1 pattern, the latter of which is similar to the dorbital splitting in group IV transition metal (C5R5)2MCl2 (R = H, Me) compounds. Time dependent-DFT (TD-DFT) was used to calculate the energies and intensities of Cl 1s transitions into empty metal based orbitals containing Cl 3p character, and provide simulated Cl K-edge XAS spectra for 1 - 4. However, for 5, which has two unpaired electrons, analogous information was obtained from transition dipole calculations using ground state Kohn-Sham orbitals. The simulations provide additional confidence in the interpretation of spectra based on ground state calculations. Overall, this study demonstrates that Cl K-edge XAS and DFT calculations represent powerful tools that can be used to evaluate electronic structure and covalency in actinide metal-ligand bonding. In addition, these results provide a framework that can be used in future studies to evaluate actinide covalency in compounds that contain transuranic elements.

  19. Dirac Quantum Cellular Automaton from Split-step Quantum Walk

    E-Print Network [OSTI]

    Arindam Mallick; C. M. Chandrashekar

    2015-09-29

    Simulations of one quantum system by an other has an implications in realization of quantum machine that can imitate any quantum systems and solve problems that are not accessible to classical computers. One of the approach to engineer quantum simulations is to discretize the space-time degree of freedom in quantum dynamics and define the quantum cellular automata (QCA), a local unitary update rule on a lattice. Different models of QCA are constructed using different set of conditions which are not uniquely defined. The form of the operators in these model are not always in implementable configuration on an other system. Here, starting from a split-step discrete-time quantum walk (DTQW) which are uniquely defined for experimental implementation, we recover the Dirac quantum cellular automaton (DQCA). This will bridge the connection between Dirac equation(DE)-DQCA-DTQW and eliminate the explicit use of invariance, symmetries and limiting range of parameter to establish the connections. For a combination of parameters defining the split-step DTQW, we will show the recovery of all the fine oscillation of the probability distribution in position observed in DQCA but not in conventional DTQW. We will also present the Zitterbewegung oscillations and quantify the entanglement as a function of that parameters that define split-step DTQW. The unique definition of DTQW along with the parameter tuneability demonstrated in experimental implementation will establish it as an efficient tool to design quantum simulator with access to different physical regime and approach quantum field theory from principles of quantum information theory.

  20. Turbocharging Quantum Tomography.

    SciTech Connect (OSTI)

    Blume-Kohout, Robin J; Gamble, John King,; Nielsen, Erik; Maunz, Peter Lukas Wilhelm; Scholten, Travis L.; Rudinger, Kenneth Michael

    2015-01-01

    Quantum tomography is used to characterize quantum operations implemented in quantum information processing (QIP) hardware. Traditionally, state tomography has been used to characterize the quantum state prepared in an initialization procedure, while quantum process tomography is used to characterize dynamical operations on a QIP system. As such, tomography is critical to the development of QIP hardware (since it is necessary both for debugging and validating as-built devices, and its results are used to influence the next generation of devices). But tomography su %7C ers from several critical drawbacks. In this report, we present new research that resolves several of these flaws. We describe a new form of tomography called gate set tomography (GST), which unifies state and process tomography, avoids prior methods critical reliance on precalibrated operations that are not generally available, and can achieve unprecedented accuracies. We report on theory and experimental development of adaptive tomography protocols that achieve far higher fidelity in state reconstruction than non-adaptive methods. Finally, we present a new theoretical and experimental analysis of process tomography on multispin systems, and demonstrate how to more e %7C ectively detect and characterize quantum noise using carefully tailored ensembles of input states.

  1. Quantum Memristors

    E-Print Network [OSTI]

    P. Pfeiffer; I. L. Egusquiza; M. Di Ventra; M. Sanz; E. Solano

    2015-11-06

    Technology based on memristors, resistors with memory whose resistance depends on the history of the crossing charges, has lately enhanced the classical paradigm of computation with neuromorphic architectures. However, in contrast to the known quantized models of passive circuit elements, such as inductors, capacitors or resistors, the design and realization of a quantum memristor is still missing. Here, we introduce the concept of a quantum memristor as a quantum dissipative device, whose decoherence mechanism is controlled by a continuous-measurement feedback scheme, which accounts for the memory. Indeed, we provide numerical simulations showing that memory effects actually persist in the quantum regime. Our quantization method, specifically designed for superconducting circuits, may be extended to other quantum platforms, allowing for memristor-type constructions in different quantum technologies. The proposed quantum memristor is then a building block for neuromorphic quantum computation and quantum simulations of non-Markovian systems.

  2. Quantum Algorithms

    E-Print Network [OSTI]

    Michele Mosca

    2008-08-04

    This article surveys the state of the art in quantum computer algorithms, including both black-box and non-black-box results. It is infeasible to detail all the known quantum algorithms, so a representative sample is given. This includes a summary of the early quantum algorithms, a description of the Abelian Hidden Subgroup algorithms (including Shor's factoring and discrete logarithm algorithms), quantum searching and amplitude amplification, quantum algorithms for simulating quantum mechanical systems, several non-trivial generalizations of the Abelian Hidden Subgroup Problem (and related techniques), the quantum walk paradigm for quantum algorithms, the paradigm of adiabatic algorithms, a family of ``topological'' algorithms, and algorithms for quantum tasks which cannot be done by a classical computer, followed by a discussion.

  3. Quantum Information and Computation, Vol. 14, No. 11&12 (2014) 10141080 c Rinton Press

    E-Print Network [OSTI]

    Preskill, John

    2014-01-01

    COMPUTATION OF SCATTERING IN SCALAR QUANTUM FIELD THEORIES STEPHEN P. JORDAN Applied and Computational fundamental physical theories to be confirmed experimentally and has enabled predictions of unprecedented. Quantum field theory is the basis for the most fundamental physical theory to be estab- lished

  4. Quantum Physics and the Nature of Reality: An Introduction to the Book

    E-Print Network [OSTI]

    Aerts, Diederik

    their prehistory traced back to Leibniz and Boole till the most recent papers concerning effect algebras aspects of logico- algebraic structures encountered in the very foundations of quantum physics. Quantum algebra, theory of ordered structures, measure theory, probability theory, and fuzzy set theory), logic

  5. Published: April 05, 2011 r 2011 American Chemical Society 1296 dx.doi.org/10.1021/ct100607w |J. Chem. Theory Comput. 2011, 7, 12961306

    E-Print Network [OSTI]

    Herbert, John

    43210, United States bS Supporting Information ABSTRACT: The electronic spectrum of alternant polycyclic-dependent density functional theory (TD-DFT) affords reasonable excitation energies for the 1 Lb state in such molecules, but often severely underestimates 1 La excitation energies and fails to reproduce observed trends

  6. Electric fields and quantum wormholes

    E-Print Network [OSTI]

    Dalit Engelhardt; Ben Freivogel; Nabil Iqbal

    2015-05-24

    Electric fields can thread a classical Einstein-Rosen bridge. Maldacena and Susskind have recently suggested that in a theory of dynamical gravity the entanglement of ordinary perturbative quanta should be viewed as creating a quantum version of an Einstein-Rosen bridge between the particles, or a "quantum wormhole". We demonstrate within low-energy effective field theory that there is a precise sense in which electric fields can also thread such quantum wormholes. We define a non-perturbative "wormhole susceptibility" that measures the ease of passing an electric field through any sort of wormhole. The susceptibility of a quantum wormhole is suppressed by powers of the U(1) gauge coupling relative to that for a classical wormhole but can be made numerically equal with a sufficiently large amount of entangled matter.

  7. Nanodiamond interferometry meets quantum gravity

    E-Print Network [OSTI]

    Albrecht, Andreas; Plenio, Martin B

    2014-01-01

    Interferometry with massive particles may have the potential to explore the limitations of standard quantum mechanics in particular where it concerns its boundary with general relativity and the yet to be developed theory of quantum gravity. This development is hindered considerably by the lack of experimental evidence and testable predictions. Analyzing effects that appear to be common to many of such theories, such as a modification of the energy dispersion and of the canonical commutation relation within the standard framework of quantum mechanics, has been proposed as a possible way forward. Here we analyze in some detail the impact of a modified energy-momentum dispersion in a Ramsey-Bord\\'e setup and provide achievable bounds of these correcting terms when operating such an interferometer with nanodiamonds. Thus, taking thermal and gravitational disturbances into account will show that without specific prerequisites, quantum gravity modifications may in general be suppressed requiring a revision of prev...

  8. String Theory and Math: Why This Marriage May Last

    E-Print Network [OSTI]

    Aganagic, Mina

    2015-01-01

    String theory is changing the relationship between mathematics and physics. The central role is played by the phenomenon of duality, which is intrinsic to quantum physics and abundant in string theory.

  9. Shape invariance and the exactness of quantum Hamilton-Jacobi formalism

    E-Print Network [OSTI]

    Charles Cherqui; Yevgeny Binder; Asim Gangopadhyaya

    2007-09-25

    Quantum Hamilton-Jacobi Theory and supersymmetric quantum mechanics (SUSYQM) are two parallel methods to determine the spectra of a quantum mechanical systems without solving the Schr\\"odinger equation. It was recently shown that the shape invariance, which is an integrability condition in SUSYQM formalism, can be utilized to develop an iterative algorithm to determine the quantum momentum functions. In this paper, we show that shape invariance also suffices to determine the eigenvalues in Quantum Hamilton-Jacobi Theory.

  10. Quantum Interest in (3+1) dimensional Minkowski space

    E-Print Network [OSTI]

    Gabriel Abreu; Matt Visser

    2009-03-05

    The so-called "Quantum Inequalities", and the "Quantum Interest Conjecture", use quantum field theory to impose significant restrictions on the temporal distribution of the energy density measured by a time-like observer, potentially preventing the existence of exotic phenomena such as "Alcubierre warp-drives" or "traversable wormholes". Both the quantum inequalities and the quantum interest conjecture can be reduced to statements concerning the existence or non-existence of bound states for a certain one-dimensional quantum mechanical pseudo-Hamiltonian. Using this approach, we shall provide a simple proof of one version of the Quantum Interest Conjecture in (3+1) dimensional Minkowski space.

  11. Quantum Interest in (3+1) dimensional Minkowski space

    E-Print Network [OSTI]

    Abreu, Gabriel

    2008-01-01

    The so-called "Quantum Inequalities", and the "Quantum Interest Conjecture", use quantum field theory to impose significant restrictions on the temporal distribution of the energy density measured by a time-like observer, potentially preventing the existence of exotic phenomena such as "Alcubierre warp-drives" or "traversable wormholes". Both the quantum inequalities and the quantum interest conjecture can be reduced to statements concerning the existence or non-existence of bound states for a certain one-dimensional quantum mechanical pseudo-Hamiltonian. Using this approach, we shall provide a simple proof of one version of the Quantum Interest Conjecture in (3+1) dimensional Minkowski space.

  12. The structure of supersymmetry in ${\\cal PT}$ symmetric quantum mechanics

    E-Print Network [OSTI]

    D. Bazeia; Ashok Das; L. Greenwood; L. Losano

    2009-03-17

    The structure of supersymmetry is analyzed systematically in ${\\cal PT}$ symmetric quantum mechanical theories. We give a detailed description of supersymmetric systems associated with one dimensional ${\\cal PT}$ symmetric quantum mechanical theories. We show that there is a richer structure present in these theories compared to the conventional theories associated with Hermitian Hamiltonians. We bring out various properties associated with these supersymmetric systems and generalize such quantum mechanical theories to higher dimensions as well as to the case of one dimensional shape invariant potentials.

  13. String theory and integrable systems

    E-Print Network [OSTI]

    Nissimov, Emil R; Nissimov, Emil; Pacheva, Svetlana

    1993-01-01

    This is mainly a brief review of some key achievements in a `hot'' area of theoretical and mathematical physics. The principal aim is to outline the basic structures underlying {\\em integrable} quantum field theory models with {\\em infinite-dimensional} symmetry groups which display a radically new type of {\\em quantum group} symmetries. Certain particular aspects are elaborated upon with some detail: integrable systems of Kadomtsev-Petviashvili type and their reductions appearing in matrix models of strings; Hamiltonian approach to Lie-Poisson symmetries; quantum field theory approach to two-dimensional relativistic integrable models with dynamically broken conformal invariance. All field-theoretic models in question are of primary relevance to diverse branches of physics ranging from nonlinear hydrodynamics to string theory of fundamental particle interactions at ultra-high energies.

  14. Fresnel-transform's quantum correspondence and quantum optical ABCD Law

    E-Print Network [OSTI]

    Fan Hongyi; Hu Liyun

    2007-05-29

    Corresponding to Fresnel transform there exists a unitary operator in quantum optics theory, which could be named Fresnel operator (FO). We show that the multiplication rule of FO naturally leads to the quantum optical ABCD law. The canonical operator methods as mapping of ray-transfer ABCD matrix is explicitly shown by FO's normally ordered expansion through the coherent state representation and the technique of integration within an ordered product of operators. We show that time evolution of the damping oscillator embodies the quantum optical ABCD law.

  15. Relational Quantum Mechanics

    E-Print Network [OSTI]

    Argyris Nicolaidis

    2012-11-09

    We suggest that the inner syntax of Quantum Mechanics is relational logic, a form of logic developed by C. S. Peirce during the years 1870 - 1880. The Peircean logic has the structure of category theory, with relation serving as an arrow (or morphism). At the core of the relational logical system is the law of composition of relations. This law leads to the fundamental quantum rule of probability as the square of an amplitude. Our study of a simple discrete model, extended to the continuum, indicates that a finite number of degrees of freedom can live in phase space. This "granularity" of phase space is determined by Planck's constant h. We indicate also the broader philosophical ramifications of a relational quantum mechanics.

  16. Grassmann Matrix Quantum Mechanics

    E-Print Network [OSTI]

    Dionysios Anninos; Frederik Denef; Ruben Monten

    2015-12-11

    We explore quantum mechanical theories whose fundamental degrees of freedom are rectangular matrices with Grassmann valued matrix elements. We study particular models where the low energy sector can be described in terms of a bosonic Hermitian matrix quantum mechanics. We describe the classical curved phase space that emerges in the low energy sector. The phase space lives on a compact Kahler manifold parameterized by a complex matrix, of the type discovered some time ago by Berezin. The emergence of a semiclassical bosonic matrix quantum mechanics at low energies requires that the original Grassmann matrices be in the long rectangular limit. We discuss possible holographic interpretations of such matrix models which, by construction, are endowed with a finite dimensional Hilbert space.

  17. Grassmann Matrix Quantum Mechanics

    E-Print Network [OSTI]

    Anninos, Dionysios; Monten, Ruben

    2015-01-01

    We explore quantum mechanical theories whose fundamental degrees of freedom are rectangular matrices with Grassmann valued matrix elements. We study particular models where the low energy sector can be described in terms of a bosonic Hermitian matrix quantum mechanics. We describe the classical curved phase space that emerges in the low energy sector. The phase space lives on a compact Kahler manifold parameterized by a complex matrix, of the type discovered some time ago by Berezin. The emergence of a semiclassical bosonic matrix quantum mechanics at low energies requires that the original Grassmann matrices be in the long rectangular limit. We discuss possible holographic interpretations of such matrix models which, by construction, are endowed with a finite dimensional Hilbert space.

  18. The quantum bit from relativity of simultaneity on an interferometer

    E-Print Network [OSTI]

    Garner, Andrew J P; Dahlsten, Oscar C O

    2014-01-01

    The patterns of fringes produced by an interferometer have always been important testbeds for our best contemporary theories of physics. Historically, interference has been used to contrast quantum mechanics to classical physics, but recently experiments have been performed that test quantum theory against even more exotic alternatives. A physically motivated family of theories are those where the state space of a two-level system is given by a sphere of arbitrary dimension. This includes classical bits, and real, complex and quaternionic quantum theory. In this paper, we consider relativity of simultaneity (that observers may disagree about the order of events at different locations) as applied to a two-armed interferometer. We show that this forbids most interference phenomena more complicated than those of standard complex quantum theory. In this sense, special relativity itself can be used to explain why physics should be described by the rules of quantum theory in this setup. Moreover, our result has con...

  19. Quantum music

    E-Print Network [OSTI]

    Volkmar Putz; Karl Svozil

    2015-08-17

    We consider ways of conceptualizing, rendering and perceiving quantum music, and quantum art in general. Thereby, we give particular emphasis to its non-classical aspects, such as coherent superposition and entanglement.

  20. Quantum music

    E-Print Network [OSTI]

    Putz, Volkmar

    2015-01-01

    We consider ways of conceptualizing, rendering and perceiving quantum music, and quantum art in general. Thereby we give particular emphasis to its non-classical aspects, such as coherent superposition and entanglement.