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Sample records for dft quantum mechanics

  1. Physicalism versus quantum mechanics

    E-Print Network [OSTI]

    Stapp, Henry P; Theoretical Physics Group; Physics Division

    2009-01-01

    Foundations of Quantum Mechanics. (Princeton UniversityMind, Matter, and Quantum Mechanics, (Springer, Berlin & NewMindful Universe: Quantum Mechanics and the Participating

  2. Bohmian mechanics contradicts quantum mechanics

    E-Print Network [OSTI]

    Neumaier, Arnold

    Bohmian mechanics contradicts quantum mechanics Arnold Neumaier Institut fur Mathematik, Universit://solon.cma.univie.ac.at/#24;neum/ Abstract. It is shown that, for a harmonic oscillator in the ground state, Bohmian mechanics and quantum mechanics predict values of opposite sign for certain time correlations. The discrepancy can

  3. Introduction to Quantum Mechanics

    E-Print Network [OSTI]

    Eduardo J. S. Villaseñor

    2008-04-23

    The purpose of this contribution is to give a very brief introduction to Quantum Mechanics for an audience of mathematicians. I will follow Segal's approach to Quantum Mechanics paying special attention to algebraic issues. The usual representation of Quantum Mechanics on Hilbert spaces is also discussed.

  4. Bohmian mechanics contradicts quantum mechanics

    E-Print Network [OSTI]

    Arnold Neumaier

    2000-02-16

    It is shown that, for a harmonic oscillator in the ground state, Bohmian mechanics and quantum mechanics predict values of opposite sign for certain time correlations. The discrepancy can be explained by the fact that Bohmian mechanics has no natural way to accomodate the Heisenberg picture, since the local expectation values that define the beables of the theory depend on the Heisenberg time being used to define the operators. Relations to measurement are discussed, too, and shown to leave no loophole for claiming that Bohmian mechanics reproduces all predictions of quantum mechanics exactly.

  5. QUICK QUANTUM MECHANICS ---Introduction ---

    E-Print Network [OSTI]

    Jackson, Andrew D.

    QUICK QUANTUM MECHANICS --- Introduction --- The following notes are intended to be a supplement to your study of Liboff's ``Introductory Quantum Mechanics.'' They are not an alternative! My purpose here of Classical Mechanics After Newton found his equations of motion, physicists knew they would have to wait

  6. Geometrization of Quantum Mechanics

    E-Print Network [OSTI]

    J. F. Carinena; J. Clemente-Gallardo; G. Marmo

    2007-03-23

    We show that it is possible to represent various descriptions of Quantum Mechanics in geometrical terms. In particular we start with the space of observables and use the momentum map associated with the unitary group to provide an unified geometrical description for the different pictures of Quantum Mechanics. This construction provides an alternative to the usual GNS construction for pure states.

  7. Quantum Chaos and Statistical Mechanics

    E-Print Network [OSTI]

    Mark Srednicki

    1994-06-14

    We briefly review the well known connection between classical chaos and classical statistical mechanics, and the recently discovered connection between quantum chaos and quantum statistical mechanics.

  8. Quantum Mechanics and Black Holes

    E-Print Network [OSTI]

    Jose N. Pecina-Cruz

    2005-11-27

    This paper discusses the existence of black holes from the foundations of quantum mechanics. It is found that quantum mechanics rule out a possible gravitational collapse.

  9. 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.

  10. Quantum Mechanical Pressure Frank Rioux

    E-Print Network [OSTI]

    Rioux, Frank

    Quantum Mechanical Pressure Frank Rioux CSB|SJU Quantum mechanics is based on the concept of wave it to its quantum mechanical equivalent. 2 2 2 2 2 p h KE m m = = Because objects with wave-like properties" character of quantum mechanical kinetic energy is the ultimate basis for the stability of matter. It also

  11. QUANTUM MECHANICS II Physics 342

    E-Print Network [OSTI]

    Rosner, Jonathan L.

    QUANTUM MECHANICS II Physics 342 KPTC 103 9:00 ­ 10:20 a.m. 1 Tues., Thurs. ­ Winter Quarter 2011 quantum mechanics at the graduate level. The text for Quantum Mechanics II will be J. J. Sakurai and Jim Napolitano, Modern Quantum Mechanics, Second Edition (Addison-Wesley, San Francisco, 2011). For supplemental

  12. 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.

  13. 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.

  14. Time in quantum mechanics 

    E-Print Network [OSTI]

    Chapin, Kimberly R.

    1997-01-01

    TIME IN QUANTUM MECHANICS A Thesis by KIMBERLY R. CHAPIN Submitted to Texas A8M University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE Approved as to style and content by: Marian O. Scully (Chair... of Committee) Edward S. Fry (Member) aan Laane (Member) Thomas W. Adair, III (Head of Department) August 1997 Major Subject: Physics TIME IN QIJANTUM MECHANICS A Thesis by KIMBERLY R. CHAPIN Submitted to the Oflice of Graduate Studies of Texas A...

  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. 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.

  17. 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.

  18. Quantum jump mechanics

    E-Print Network [OSTI]

    A. Yu. Samarin

    2015-05-10

    The change with time of the system consisting of the quantum object and the macroscopic measuring instrument is described on the base of the uniform dynamic law, which is suitable both evolution and reduction processes description. It is the integral wave equation with kernel in the form of a path integral. It is shown, that wave function collapse is the specific transformation which is fundamentally differ from Shr\\"odinger's evolution. Specifically, a formal cause of the collapse is a local time derivative (infinite large) of the potential energy. Such transformation can not be described using mathematical apparatus of conventional quantum mechanics.

  19. 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...

  20. Some topics in thermodynamics and quantum mechanics

    E-Print Network [OSTI]

    Robert Carroll

    2012-11-17

    We sketch some connecting relations involving fractional and quantum calculi, fractal structure, thermodynamics, and quantum mechanics.

  1. 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

  2. Three Pictures of Quantum Mechanics

    E-Print Network [OSTI]

    Olszewski Jr., Edward A.

    Three Pictures of Quantum Mechanics Thomas R. Shafer April 17, 2009 #12;Outline of the Talk · Brief Three Pictures of Quantum Mechanics Schrödinger Heisenberg Dirac #12;The Three Pictures of Quantum picture, the operators stay fixed while the Schrödinger equation changes the basis with time. #12;The

  3. From Quantum Mechanics to Thermodynamics?

    E-Print Network [OSTI]

    Steinhoff, Heinz-Jürgen

    From Quantum Mechanics to Thermodynamics? Dresden, 22.11.2004 Jochen Gemmer Universit¨at Osnabr to thermodynamical behavior · Quantum approach to thermodynamical behavior · The route to equilibrium · Summary of thermodynamical behavior entirely on the basis of Hamilton models and Schr¨odinger-type quantum dynamics. · define

  4. 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.

  5. Invariance in adelic quantum mechanics

    E-Print Network [OSTI]

    Branko Dragovich

    2006-12-07

    Adelic quantum mechanics is form invariant under an interchange of real and p-adic number fields as well as rings of p-adic integers. We also show that in adelic quantum mechanics Feynman's path integrals for quadratic actions with rational coefficients are invariant under changes of their entries within nonzero rational numbers.

  6. On a New Form of Quantum Mechanics

    E-Print Network [OSTI]

    N. N. Gorobey; A. S. Lukyanenko

    2008-07-22

    We propose a new form of nonrelativistic quantum mechanics which is based on a quantum version of the action principle.

  7. Quantum Mechanics 1 for graduate students

    E-Print Network [OSTI]

    Course 606 Quantum Mechanics 1 for graduate students Fall 2010 Instructor Valery Pokrovsky 1 electromagnetic field. Gauge invariance. Landau levels. 7. Semiclassical approximation. 8. Quantum mechanics. Scattering. The main textbook is E. Merzbacher, Quantum Mechanics, third edition, Wiley. Additional

  8. Coherent states in quantum mechanics

    E-Print Network [OSTI]

    Rodrigues, R D L; Fernandes, D

    2001-01-01

    We present a review work on the coherent states is non-relativistic quantum mechanics analysing the quantum oscillators in the coherent states. The coherent states obtained via a displacement operator that act on the wave function of ground state of the oscillator and the connection with Quantum Optics which were implemented by Glauber have also been considered. A possible generalization to the construction of new coherent states it is point out.

  9. Hyper-Hamiltonian quantum mechanics

    E-Print Network [OSTI]

    Vladimir Trifonov

    2006-03-02

    We present a modification of quantum mechanics with a *possible worlds* semantics. It is shown that `gauge' degrees of freedom along possible worlds can be used to encode gravitational information.

  10. 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.

  11. QUANTUM MECHANICS AND REAL Department of Mathematics

    E-Print Network [OSTI]

    Penrose, Oliver

    QUANTUM MECHANICS AND REAL EVENTS O.Penrose Department of Mathematics Heriot-Watt University into the evolution of a quantum-mechanical system, without altering the usual laws of quantum mechanics in any way Although quantum mechanics is wonderfully successful for predicting the results of experiments done

  12. What quantum computers may tell us about quantum mechanics

    E-Print Network [OSTI]

    Monroe, Christopher

    17 What quantum computers may tell us about quantum mechanics Christopher R. Monroe University of Michigan, Ann Arbor Quantum mechanics occupies a unique position in the history of science. It has sur successes of quantum mechanics, its foundations are often questioned, owing to the glaring difficulties

  13. 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

  14. 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.

  15. Creation mechanism of quantum accelerator modes

    E-Print Network [OSTI]

    Summy, G. S.

    We investigate the creation mechanism of quantum accelerator modes which are attributed to the existence of the stability islands in an underlying pseudoclassical phase space of the quantum delta-kicked accelerator. Quantum ...

  16. Star Products for Relativistic Quantum Mechanics

    E-Print Network [OSTI]

    P. Henselder

    2007-05-24

    The star product formalism has proved to be an alternative formulation for nonrelativistic quantum mechanics. We want introduce here a covariant star product in order to extend the star product formalism to relativistic quantum mechanics in the proper time formulation.

  17. Quantum Mechanics: Structures, Axioms and Paradoxes

    E-Print Network [OSTI]

    Aerts, Diederik

    Quantum Mechanics: Structures, Axioms and Paradoxes Diederik Aerts Center Leo Apostel, Brussels present an analysis of quantum mechanics and its problems and para- doxes taking into account the results a genuine incomplete- ness of standard quantum mechanics, however not an incompleteness that means

  18. Statistical Mechanics and Quantum Cosmology

    E-Print Network [OSTI]

    B. L. Hu

    1995-11-29

    Statistical mechanical concepts and processes such as decoherence, correlation, and dissipation can prove to be of basic importance to understanding some fundamental issues of quantum cosmology and theoretical physics such as the choice of initial states, quantum to classical transition and the emergence of time. Here we summarize our effort in 1) constructing a unified theoretical framework using techniques in interacting quantum field theory such as influence functional and coarse-grained effective action to discuss the interplay of noise, fluctuation, dissipation and decoherence; and 2) illustrating how these concepts when applied to quantum cosmology can alter the conventional views on some basic issues. Two questions we address are 1) the validity of minisuperspace truncation, which is usually assumed without proof in most discussions, and 2) the relevance of specific initial conditions, which is the prevailing view of the past decade. We also mention how some current ideas in chaotic dynamics, dissipative collective dynamics and complexity can alter our view of the quantum nature of the universe.

  19. 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.

  20. Quantum Mechanics Joachim Burgdorfer and Stefan Rotter

    E-Print Network [OSTI]

    Rotter, Stefan

    1 1 Quantum Mechanics Joachim Burgd¨orfer and Stefan Rotter 1.1 Introduction 3 1.2 Particle and Quantization 8 1.5 Angular Momentum in Quantum Mechanics 9 1.6 Formalism of Quantum Mechanics 12 1.7 Solution 29 1.8.3 Resonances 30 1.9 Semiclassical Mechanics 31 1.9.1 The WKB Approximation 31 1.9.2 The EBK

  1. Conjugates, Filters and Quantum Mechanics

    E-Print Network [OSTI]

    Alexander Wilce

    2014-11-18

    The Jordan structure of finite-dimensional quantum theory is derived, in a conspicuously easy way, from a few simple postulates concerning abstract probabilistic models (each defined by a set of basic measurements and a convex set of states). A key assumption is that each system $A$ can be paired with an isomorphic conjugate system, $\\bar{A}$, by means of a non-signaling bipartite state $\\eta_A$ perfectly and uniformly correlating each basic measurement on $A$ with its counterpart on $\\bar{A}$. In the case of a quantum-mechanical system associated with a complex Hilbert space ${\\mathbf H}$, the conjugate system is that associated with the conjugate Hilbert space $\\bar{\\mathbf H}$, and $\\eta_A$ corresponds to the standard maximally entangled EPR state on ${\\mathbf H} \\otimes \\bar{\\mathbf H}$.

  2. 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.

  3. Errors and paradoxes in quantum mechanics

    E-Print Network [OSTI]

    D. Rohrlich

    2007-08-28

    Errors and paradoxes in quantum mechanics, entry in the Compendium of Quantum Physics: Concepts, Experiments, History and Philosophy, ed. F. Weinert, K. Hentschel, D. Greenberger and B. Falkenburg (Springer), to appear

  4. An extended phase space for Quantum Mechanics

    E-Print Network [OSTI]

    C. Lopez

    2015-09-23

    The standard formulation of Quantum Mechanics violates locality of interactions and the action reaction principle. An alternative formulation in an extended phase space could preserve both principles, but Bell's theorems show that a distribution of probability in a space of local variables can not reproduce the quantum correlations. An extended phase space is defined in an alternative formulation of Quantum Mechanics. Quantum states are represented by a complex va\\-lued distribution of amplitude, so that Bell's theorems do not apply.

  5. 221B Lecture Notes Relativistic Quantum Mechanics

    E-Print Network [OSTI]

    Murayama, Hitoshi

    221B Lecture Notes Relativistic Quantum Mechanics 1 Need for Relativistic Quantum Mechanics We r + dx 1 8 (E2 + B2 ). (1) (Coulomb potential is there only if there is another static charged, similarly to the Newton's equation of motion in mechanics. The initial condtions to solve the Newton

  6. 129 Lecture Notes Relativistic Quantum Mechanics

    E-Print Network [OSTI]

    Murayama, Hitoshi

    129 Lecture Notes Relativistic Quantum Mechanics 1 Need for Relativistic Quantum Mechanics2 ). (1) (Coulomb potential is there only if there is another static charged particle's equation of motion in mechanics. The initial condtions to solve the Newton's equation of motion

  7. 221B Lecture Notes Relativistic Quantum Mechanics

    E-Print Network [OSTI]

    Murayama, Hitoshi

    221B Lecture Notes Relativistic Quantum Mechanics 1 Need for Relativistic Quantum Mechanics We r + dx 1 8 (E2 + B2 ). (1) (Coulomb potential is there only if there is another static charged's equation of motion in mechanics. The initial condtions to solve the Newton's equation of motion

  8. 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.

  9. Quantum Mechanics and Closed Timelike Curves

    E-Print Network [OSTI]

    Florin Moldoveanu

    2007-04-23

    General relativity allows solutions exhibiting closed timelike curves. Time travel generates paradoxes and quantum mechanics generalizations were proposed to solve those paradoxes. The implications of self-consistent interactions on acausal region of space-time are investigated. If the correspondence principle is true, then all generalizations of quantum mechanics on acausal manifolds are not renormalizable. Therefore quantum mechanics can only be defined on global hyperbolic manifolds and all general relativity solutions exhibiting time travel are unphysical.

  10. Bohmian particle trajectories contradict quantum mechanics

    E-Print Network [OSTI]

    Michael Zirpel

    2009-03-23

    The Bohmian interpretation of quantum mechanics adds particle trajectories to the wave function and ensures that the probability distribution of the particle positions agrees with quantum mechanics at any time. This is not sufficient to avoid contradictions with quantum mechanics. There are correlations between particle positions at different times which cannot be reproduced with real particle trajectories. A simple rearrangement of an experimental test of the Bell-CHSH inequality demonstrates this.

  11. Deformed Geometric Algebra and Supersymmetric Quantum Mechanics

    E-Print Network [OSTI]

    Peter Henselder

    2006-09-09

    Deforming the algebraic structure of geometric algebra on the phase space with a Moyal product leads naturally to supersymmetric quantum mechanics in the star product formalism.

  12. Quantum Mechanics Course Number: C668 C668: Special topics in physical chemistry: Advanced Quantum Mechanics

    E-Print Network [OSTI]

    Iyengar, Srinivasan S.

    Quantum Mechanics Course Number: C668 C668: Special topics in physical chemistry: Advanced Quantum Mechanics Instructor: Srinivasan S. Iyengar Office Hours Wednesday, Friday 10:30AM-12PM (Chemistry C202B@gmail.com Chemistry, Indiana University i c 2014, Srinivasan S. Iyengar (instructor) #12;Quantum Mechanics Course

  13. Mechanical quantum resonators A. N. Cleland

    E-Print Network [OSTI]

    Geller, Michael R.

    Mechanical quantum resonators A. N. Cleland and M. R. Geller Department of Physics, University based on the integration of GHz-frequency mechanical resonators with Josephson phase qubits, which have

  14. Quantum mechanics without potential function

    E-Print Network [OSTI]

    A. D. Alhaidari; M. E. H. Ismail

    2015-06-26

    In the standard formulation of quantum mechanics, one starts by proposing a potential function that models the physical system. The potential is then inserted into the Schr\\"odinger equation, which is solved for the wave function, bound states energy spectrum and/or scattering phase shift. In this work, however, we propose an alternative formulation in which the potential function does not appear. The aim is to obtain a set of analytically realizable systems, which is larger than in the standard formulation and may or may not be associated with any given or previously known potential functions. We start with the wavefunction, which is written as a bounded infinite sum of elements of a complete basis with polynomial coefficients that are orthogonal on an appropriate domain in the energy space. Using the asymptotic properties of these polynomials, we obtain the scattering phase shift, bound states and resonances. This formulation enables one to handle not only the well-known quantum systems but also previously untreated ones. Illustrative examples are given for two- and there-parameter systems.

  15. Testing non-associative quantum mechanics

    E-Print Network [OSTI]

    Bojowald, Martin; Buyukcam, Umut

    2015-01-01

    The familiar concepts of state vectors and operators in quantum mechanics rely on associative products of observables. However, these notions do not apply to some exotic systems such as magnetic monopoles, which have long been known to lead to non-associative algebras. Their quantum physics has remained obscure. This letter presents the first derivation of potentially testable physical results in non-associative quantum mechanics, based on effective potentials. They imply new effects which cannot be mimicked in usual quantum mechanics with standard magnetic fields.

  16. Quaternionic Formulation of Supersymmetric Quantum Mechanics

    E-Print Network [OSTI]

    Seema Rawat; O. P. S. Negi

    2007-03-18

    Quaternionic formulation of supersymmetric quantum mechanics has been developed consistently in terms of Hamiltonians, superpartner Hamiltonians, and supercharges for free particle and interacting field in one and three dimensions. Supercharges, superpartner Hamiltonians and energy eigenvalues are discussed and it has been shown that the results are consistent with the results of quantum mechanics.

  17. On a realistic interpretation of quantum mechanics

    E-Print Network [OSTI]

    Arnold Neumaier

    1999-08-22

    The best mathematical arguments against a realistic interpretation of quantum mechanics - that gives definite but partially unknown values to all observables - are analysed and shown to be based on reasoning that is not compelling. This opens the door for an interpretation that, while respecting the indeterministic nature of quantum mechanics, allows to speak of definite values for all observables at any time that are, however, only partially measurable. The analysis also suggests new ways to test the foundations of quantum theory.

  18. An entropic picture of emergent quantum mechanics

    E-Print Network [OSTI]

    D. Acosta; P. Fernandez de Cordoba; J. M. Isidro; J. L. G. Santander

    2011-09-20

    Quantum mechanics emerges a la Verlinde from a foliation of space by holographic screens, when regarding the latter as entropy reservoirs that a particle can exchange entropy with. This entropy is quantised in units of Boltzmann's constant k. The holographic screens can be treated thermodynamically as stretched membranes. On that side of a holographic screen where spacetime has already emerged, the energy representation of thermodynamics gives rise to the usual quantum mechanics. A knowledge of the different surface densities of entropy flow across all screens is equivalent to a knowledge of the quantum-mechanical wavefunction on space. The entropy representation of thermodynamics, as applied to a screen, can be used to describe quantum mechanics in the absence of spacetime, that is, quantum mechanics beyond a holographic screen, where spacetime has not yet emerged. Our approach can be regarded as a formal derivation of Planck's constant h from Boltzmann's constant k.

  19. Classical and Quantum Mechanics via Lie algebras

    E-Print Network [OSTI]

    Arnold Neumaier; Dennis Westra

    2011-04-14

    The goal of this book is to present classical mechanics, quantum mechanics, and statistical mechanics in an almost completely algebraic setting, thereby introducing mathematicians, physicists, and engineers to the ideas relating classical and quantum mechanics with Lie algebras and Lie groups. The book emphasizes the closeness of classical and quantum mechanics, and the material is selected in a way to make this closeness as apparent as possible. Much of the material covered here is not part of standard textbook treatments of classical or quantum mechanics (or is only superficially treated there). For physics students who want to get a broader view of the subject, this book may therefore serve as a useful complement to standard treatments of quantum mechanics. Almost without exception, this book is about precise concepts and exact results in classical mechanics, quantum mechanics, and statistical mechanics. The structural properties of mechanics are discussed independent of computational techniques for obtaining quantitatively correct numbers from the assumptions made. The standard approximation machinery for calculating from first principles explicit thermodynamic properties of materials, or explicit cross sections for high energy experiments can be found in many textbooks and is not repeated here.

  20. 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.

  1. Background Independent Quantum Mechanics, Classical Geometric Forms and Geometric Quantum Mechanics-I

    E-Print Network [OSTI]

    Aalok Pandya

    2008-09-08

    The geometry of the symplectic structures and Fubini-Study metric is discussed. Discussion in the paper addresses geometry of Quantum Mechanics in the classical phase space. Also, geometry of Quantum Mechanics in the projective Hilbert space has been discussed for the chosen Quantum states. Since the theory of classical gravity is basically geometric in nature and Quantum Mechanics is in no way devoid of geometry, the explorations pertaining to more and more geometry in Quantum Mechanics could prove to be valuable for larger objectives such as understanding of gravity.

  2. QUANTUM MECHANICS, GENERAL PHYSICS; 74 ATOMIC AND MOLECULAR PHYSICS...

    Office of Scientific and Technical Information (OSTI)

    of model atoms in fields Milonni, P.W. 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 74 ATOMIC AND MOLECULAR PHYSICS; ATOMS; OPTICAL MODELS; QUANTUM MECHANICS;...

  3. Four-dimensional understanding of quantum mechanics

    E-Print Network [OSTI]

    Jarek Duda

    2009-10-14

    In this paper I will try to convince that quantum mechanics does not have to lead to indeterminism, but is just a natural consequence of four-dimensional nature of our world - that for example particles shouldn't be imagined as 'moving points' in space, but as their trajectories in the spacetime like in optimizing action formulation of Lagrangian mechanics. There will be analyzed simplified model - Boltzmann distribution among trajectories occurs to give quantum mechanic like behavior - for example electron moving in proton's potential would make some concrete trajectory which average exactly to the probability distribution of the quantum mechanical ground state. We will use this model to build intuition about quantum mechanics and discuss its generalizations to get some effective approximation of physics. We will see that topological excitations of the simplest model obtained this way already creates known from physics particle structure, their decay modes and electromagnetic/gravitational interactions between them.

  4. A new introductory quantum mechanics curriculum

    E-Print Network [OSTI]

    Kohnle, Antje; Browne, Dan; Everitt, Mark; Fomins, Aleksejs; Kok, Pieter; Kulaitis, Gytis; Prokopas, Martynas; Raine, Derek; Swinbank, Elizabeth

    2013-01-01

    The Institute of Physics New Quantum Curriculum consists of freely available online learning and teaching materials (quantumphysics.iop.org) for a first course in university quantum mechanics starting from two-level systems. This approach immediately immerses students in inherently quantum mechanical aspects by focusing on experiments that have no classical explanation. It allows from the start a discussion of interpretive aspects of quantum mechanics and quantum information theory. This article gives an overview of the resources available at the IOP website. The core text is presented as around 80 articles co-authored by leading experts that are arranged in themes and can be used flexibly to provide a range of alternative approaches. Many of the articles include interactive simulations with accompanying activities and problem sets that can be explored by students to enhance their understanding. Much of the linear algebra needed for this approach is part of the resource. Solutions to activities are available ...

  5. Strange Bedfellows: Quantum Mechanics and Data Mining

    E-Print Network [OSTI]

    Marvin Weinstein

    2009-11-03

    Last year, in 2008, I gave a talk titled {\\it Quantum Calisthenics}. This year I am going to tell you about how the work I described then has spun off into a most unlikely direction. What I am going to talk about is how one maps the problem of finding clusters in a given data set into a problem in quantum mechanics. I will then use the tricks I described to let quantum evolution lets the clusters come together on their own.

  6. Quantum Mechanics and the Generalized Uncertainty Principle

    E-Print Network [OSTI]

    Jang Young Bang; Micheal S. Berger

    2006-11-30

    The generalized uncertainty principle has been described as a general consequence of incorporating a minimal length from a theory of quantum gravity. We consider a simple quantum mechanical model where the operator corresponding to position has discrete eigenvalues and show how the generalized uncertainty principle results for minimum uncertainty wave packets.

  7. 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.

  8. 2T Physics and Quantum Mechanics

    E-Print Network [OSTI]

    W. Chagas-Filho

    2008-02-20

    We use a local scale invariance of a classical Hamiltonian and describe how to construct six different formulations of quantum mechanics in spaces with two time-like dimensions. All these six formulations have the same classical limit described by the same Hamiltonian. One of these formulations is used as a basis for a complementation of the usual quantum mechanics when in the presence of gravity.

  9. Background Independent Quantum Mechanics, Classical Geometric Forms and Geometric Quantum Mechanics-II

    E-Print Network [OSTI]

    Aalok Pandya

    2009-01-19

    The geometry of Quantum Mechanics in the context of uncertainty and complementarity, and probability is explored. We extend the discussion of geometry of uncertainty relations in wider perspective. Also, we discuss the geometry of probability in Quantum Mechanics and its interpretations. We give yet another interpretation to the notion of Faraday lines and loops as the locus of probability flow. Also, the possibilities of visualization of spectra of area operators by means of classical geometric forms and conventional Quantum Mechanics are explored.

  10. 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.

  11. On a New Form of Quantum Mechanics (II)

    E-Print Network [OSTI]

    N. Gorobey; A. Lukyanenko; I. Lukyanenko

    2009-12-16

    The correspondence of a new form of quantum mechanics based on a quantum version of the action principle, which was proposed earlier [arXiv:0807.3508], with the ordinary quantum mechanics is established. New potentialities of the quantum action principle in the interpretation of quantum mechanics are considered.

  12. CLNS 96/1399 Peculiarities of Quantum Mechanics

    E-Print Network [OSTI]

    CLNS 96/1399 Peculiarities of Quantum Mechanics: Origins and Meaning Yuri F. Orlov Floyd R. Newman, specifically quantum, features of quantum mechanics --- quan­ tum nonlocality, indeterminism, interference are quantum observables themselves and are represented in quantum mechanics by density matrices of pure states

  13. On the Geometrization of Quantum Mechanics

    E-Print Network [OSTI]

    Ivano Tavernelli

    2015-10-21

    Nonrelativistic quantum mechanics is commonly formulated in terms of wavefunctions (probability amplitudes) obeying the static and the time-dependent Schroedinger equations (SE). Despite the success of this representation of the quantum world a wave-particle duality concept is required to reconcile the theory with observations (experimental measurements). A first solution to this dichotomy was introduced in the de Broglie-Bohm theory according to which a pilot wave (solution of the SE) is guiding the evolution of particle trajectories. Here, I propose a geometrization of quantum mechanics that describes the time evolution of particles as geodesic lines in a curved space, whose curvature is induced by the quantum potential. This formulation allows therefore the incorporation of all quantum effects into the geometry of space-time, as it is the case for gravitation in the general relativity.

  14. Local Power in Quantum Mechanics

    E-Print Network [OSTI]

    Guillermo Albareda; Fabio Lorenzo Traversa; Xavier Oriols

    2015-11-12

    A general expression for the local power of a quantum system is derived. Defined as the time rate of change of the kinetic energy evaluated in a finite volume $\\Omega$ of the physical space, the local power exhibits contributions from both many-body classical and quantum correlations. Significantly, quantum correlations are manifested through the presence of non-local sources/sinks of power and through the action of local forces with no classical counterpart. The soundness of our results is proved along three limits of particular relevance: the closed-system limit ($\\Omega \\to \\infty$), the limit of non-interacting particles, and invoking classicality. Interestingly, we show that quantum fingerprints arise on the local power expression only when the volume $\\Omega$ is finite. Otherwise we recover a classical-like expression. This work could be of particular interest in the field of nanoelectronics, where the realization of a zero-power technology constitutes a long standing challenge.

  15. A Quantum Approach to Classical Statistical Mechanics

    E-Print Network [OSTI]

    Rolando D. Somma; Cristian D. Batista; Gerardo Ortiz

    2006-10-11

    We present a new approach to study the thermodynamic properties of $d$-dimensional classical systems by reducing the problem to the computation of ground state properties of a $d$-dimensional quantum model. This classical-to-quantum mapping allows us to deal with standard optimization methods, such as simulated and quantum annealing, on an equal basis. Consequently, we extend the quantum annealing method to simulate classical systems at finite temperatures. Using the adiabatic theorem of quantum mechanics, we derive the rates to assure convergence to the optimal thermodynamic state. For simulated and quantum annealing, we obtain the asymptotic rates of $T(t) \\approx (p N) /(k_B \\log t)$ and $\\gamma(t) \\approx (Nt)^{-\\bar{c}/N}$, for the temperature and magnetic field, respectively. Other annealing strategies, as well as their potential speed-up, are also discussed.

  16. 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

  17. Quantum Mechanics Summary/Review Spring 2009 Compton Lecture Series

    E-Print Network [OSTI]

    Quantum Mechanics Summary/Review Spring 2009 Compton Lecture Series: From Quantum Mechanics one component at a time. · Planck's constant determines the scale at which quantum mechanical effects could get rid of quantum mechanical effects ­ The "wavelength" of particles given by h mv would all

  18. Statistical mechanics based on fractional classical and quantum mechanics

    SciTech Connect (OSTI)

    Korichi, Z.; Meftah, M. T.

    2014-03-15

    The purpose of this work is to study some problems in statistical mechanics based on the fractional classical and quantum mechanics. At first stage we have presented the thermodynamical properties of the classical ideal gas and the system of N classical oscillators. In both cases, the Hamiltonian contains fractional exponents of the phase space (position and momentum). At the second stage, in the context of the fractional quantum mechanics, we have calculated the thermodynamical properties for the black body radiation, studied the Bose-Einstein statistics with the related problem of the condensation and the Fermi-Dirac statistics.

  19. Quantum mechanics: last stop for reductionism

    E-Print Network [OSTI]

    Gabriele Carcassi

    2012-03-16

    The state space of a homogeneous body is derived under two different assumptions: infinitesimal reducibility and irreducibility. The first assumption leads to a real vector space, used in classical mechanics, while the second one leads to a complex vector space, used in quantum mechanics.

  20. 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.

  1. Standard Quantum Limit for Probing Mechanical Energy Quantization

    E-Print Network [OSTI]

    Corbitt, Thomas R.

    We derive a standard quantum limit for probing mechanical energy quantization in a class of systems with mechanical modes parametrically coupled to external degrees of freedom. To resolve a single mechanical quantum, it ...

  2. Testing the limits of quantum mechanical superpositions

    E-Print Network [OSTI]

    Markus Arndt; Klaus Hornberger

    2014-10-01

    Quantum physics has intrigued scientists and philosophers alike, because it challenges our notions of reality and locality--concepts that we have grown to rely on in our macroscopic world. It is an intriguing open question whether the linearity of quantum mechanics extends into the macroscopic domain. Scientific progress over the last decades inspires hope that this debate may be decided by table-top experiments.

  3. Collapse challenge for interpretations of quantum mechanics

    E-Print Network [OSTI]

    Arnold Neumaier

    2005-05-23

    The collapse challenge for interpretations of quantum mechanics is to build from first principles and your preferred interpretation a complete, observer-free quantum model of the described experiment (involving a photon and two screens), together with a formal analysis that completely explains the experimental result. The challenge is explained in detail, and discussed in the light of the Copenhagen interpretation and the decoherence setting.

  4. On Time. 6b: Quantum Mechanical Time

    E-Print Network [OSTI]

    C. K. Raju

    2008-08-09

    The existence of small amounts of advanced radiation, or a tilt in the arrow of time, makes the basic equations of physics mixed-type functional differential equations. The novel features of such equations point to a microphysical structure of time. This corresponds to a change of logic at the microphysical level. We show that the resulting logic is a quantum logic. This provides a natural and rigorous explanation of quantum interference. This structured-time interpretation of quantum mechanics is briefly compared with various other interpretations of q.m.

  5. Emergent Quantum Mechanics and Emergent Symmetries

    E-Print Network [OSTI]

    Gerard 't Hooft

    2007-07-31

    Quantum mechanics is 'emergent' if a statistical treatment of large scale phenomena in a locally deterministic theory requires the use of quantum operators. These quantum operators may allow for symmetry transformations that are not present in the underlying deterministic system. Such theories allow for a natural explanation of the existence of gauge equivalence classes (gauge orbits), including the equivalence classes generated by general coordinate transformations. Thus, local gauge symmetries and general coordinate invariance could be emergent symmetries, and this might lead to new alleys towards understanding the flatness problem of the Universe.

  6. 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

  7. CLNS 96/1443 Peculiarities of Quantum Mechanics

    E-Print Network [OSTI]

    CLNS 96/1443 REVISED Peculiarities of Quantum Mechanics: Origins and Meaning 1 Yuri F. Orlov Floyd The most peculiar, specifically quantum, features of quantum mechanics --- quan­ tum nonlocality mechanics 1 This paper, to be presented to the Nordic Symposium on Basic Problems in Quantum Physics, June

  8. Multichannel framework for singular quantum mechanics

    SciTech Connect (OSTI)

    Camblong, Horacio E.; Epele, Luis N.; Fanchiotti, Huner; García Canal, Carlos A.; Ordóñez, Carlos R.

    2014-01-15

    A multichannel S-matrix framework for singular quantum mechanics (SQM) subsumes the renormalization and self-adjoint extension methods and resolves its boundary-condition ambiguities. In addition to the standard channel accessible to a distant (“asymptotic”) observer, one supplementary channel opens up at each coordinate singularity, where local outgoing and ingoing singularity waves coexist. The channels are linked by a fully unitary S-matrix, which governs all possible scenarios, including cases with an apparent nonunitary behavior as viewed from asymptotic distances. -- Highlights: •A multichannel framework is proposed for singular quantum mechanics and analogues. •The framework unifies several established approaches for singular potentials. •Singular points are treated as new scattering channels. •Nonunitary asymptotic behavior is subsumed in a unitary multichannel S-matrix. •Conformal quantum mechanics and the inverse quartic potential are highlighted.

  9. An axiomatic basis for quantum mechanics

    E-Print Network [OSTI]

    Gianni Cassinelli; Pekka Lahti

    2015-08-15

    In this paper we use the framework of generalized probabilistic theories to present two sets of basic assumptions, called axioms, for which we show that they lead to the Hilbert space formulation of quantum mechanics. The key results in this derivation are the co-ordinatization of generalized geometries and a theorem of Sol\\'er which characterizes Hilbert spaces among the orthomodular spaces. A generalized Wigner theorem is applied to reduce some of the assumptions of the theorem of Sol\\'er to the theory of symmetry in quantum mechanics. Since this reduction is only partial we also point out the remaining open questions.

  10. Quantum Mechanical Effects in Gravitational Collapse

    E-Print Network [OSTI]

    Eric Greenwood

    2010-01-12

    In this thesis we investigate quantum mechanical effects to various aspects of gravitational collapse. These quantum mechanical effects are implemented in the context of the Functional Schr\\"odinger formalism. The Functional Schr\\"odinger formalism allows us to investigate the time-dependent evolutions of the quantum mechanical effects, which is beyond the scope of the usual methods used to investigate the quantum mechanical corrections of gravitational collapse. Utilizing the time-dependent nature of the Functional Schr\\"odinger formalism, we study the quantization of a spherically symmetric domain wall from the view point of an asymptotic and infalling observer, in the absence of radiation. To build a more realistic picture, we then study the time-dependent nature of the induced radiation during the collapse using a semi-classical approach. Using the domain wall and the induced radiation, we then study the time-dependent evolution of the entropy of the domain wall. Finally we make some remarks about the possible inclusion of backreaction into the system.

  11. Quantum-mechanical Landau-Lifshitz equation

    E-Print Network [OSTI]

    D. Yearchuck; Y. Yerchak

    2008-01-09

    Quantum-mechanical analogue of Landau-Lifshitz equation has been derived. It has been established that Landau-Lifshitz equation is fundamental physical equation underlying the dynamics of spectroscopic transitions and transitional phenomena. New phenomenon is predicted: electrical spin wave resonance (ESWR) being to be electrical analogue of magnetic spin wave resonance.

  12. Spin Glass: A Bridge between quantum computation and statistical mechanics

    E-Print Network [OSTI]

    Masayuki Ohzeki

    2012-04-24

    We show two fascinating topics lying between quantum information processing and statistical mechanics. First, we introduce an elaborated technique, the surface code, to prepare the particular quantum state with robustness against decoherence. Second, we show another interesting technique to employ quantum nature, quantum annealing. Through both of the topics, we would shed light on the birth of the interdisciplinary field between quantum mechanics and statistical mechanics.

  13. Philosophy of Mind and the Problem of Free Will in the Light of Quantum Mechanics.

    E-Print Network [OSTI]

    Stapp, Henry P

    2008-01-01

    Foundations of Quantum Mechanics. (Princeton UniversityMind, Matter, and Quantum Mechanics, (Springer, Berlin & NewMindful Universe: Quantum Mechanics and the Participating

  14. A Signal Processing Model of Quantum Mechanics

    E-Print Network [OSTI]

    Chris Thron; Johnny Watts

    2012-05-08

    This paper develops a deterministic model of quantum mechanics as an accumulation-and-threshold process. The model arises from an analogy with signal processing in wireless communications. Complex wavefunctions are interpreted as expressing the amplitude and phase information of a modulated carrier wave. Particle transmission events are modeled as the outcome of a process of signal accumulation that occurs in an extra (non-spacetime) dimension. Besides giving a natural interpretation of the wavefunction and the Born rule, the model accommodates the collapse of the wave packet and other quantum paradoxes such as EPR and the Ahanorov-Bohm effect. The model also gives a new perspective on the 'relational' nature of quantum mechanics: that is, whether the wave function of a physical system is "real" or simply reflects the observer's partial knowledge of the system. We simulate the model for a 2-slit experiment, and indicate possible deviations of the model's predictions from conventional quantum mechanics. We also indicate how the theory may be extended to a field theory.

  15. Deformation Quantization: Quantum Mechanic Lives and Works in...

    Office of Scientific and Technical Information (OSTI)

    DENSITY MATRIX; DISTRIBUTION FUNCTIONS; FERMILAB; HILBERT SPACE; NUCLEAR PHYSICS; OPTICS; PATH INTEGRALS; PHASE SPACE; PROCESSING; QUANTIZATION; QUANTUM MECHANICS; UNCERTAINTY...

  16. Emergence of Quantum Mechanics from a Sub-Quantum Statistical Mechanics

    E-Print Network [OSTI]

    Gerhard Groessing

    2013-04-12

    A research program within the scope of theories on "Emergent Quantum Mechanics" is presented, which has gained some momentum in recent years. Via the modeling of a quantum system as a non-equilibrium steady-state maintained by a permanent throughput of energy from the zero-point vacuum, the quantum is considered as an emergent system. We implement a specific "bouncer-walker" model in the context of an assumed sub-quantum statistical physics, in analogy to the results of experiments by Couder's group on a classical wave-particle duality. We can thus give an explanation of various quantum mechanical features and results on the basis of a "21st century classical physics", such as the appearance of Planck's constant, the Schr\\"odinger equation, etc. An essential result is given by the proof that averaged particle trajectories' behaviors correspond to a specific type of anomalous diffusion termed "ballistic" diffusion on a sub-quantum level. It is further demonstrated both analytically and with the aid of computer simulations that our model provides explanations for various quantum effects such as double-slit or n-slit interference. We show the averaged trajectories emerging from our model to be identical to Bohmian trajectories, albeit without the need to invoke complex wave functions or any other quantum mechanical tool. Finally, the model provides new insights into the origins of entanglement, and, in particular, into the phenomenon of a "systemic" nonlocality.

  17. The syllabus of the Course 624 Quantum Mechanics 2

    E-Print Network [OSTI]

    The syllabus of the Course 624 Quantum Mechanics 2 Spring 2009. Instructor V.L. Pokrovsky. 1. Many-body quantum mechanics. Second quantization. Spin and statistics. Bose- Einstein condensation. 6's phase. Landau-Zener theory. Principal textbook: E. Merzbacher, Quantum Mechanics, 3-d edition, Wiley

  18. Does quantum mechanics require non-locality?

    E-Print Network [OSTI]

    Ghenadie N. Mardari

    2014-10-29

    Non-commutative properties of single quanta must violate the limit of Bell's theorem, but not the boundary of Tsirelson's theorem. This is a consequence of three basic principles: superposition (every quantum is in many states at the same time), correspondence (only the net state of interference is real), and uncertainty (conjugate variables have inversely proportional spectra). The two conditions have only been verified with entangled pairs of quanta. It is not possible to perform incompatible measurements on the same entity. Hence, the principles of quantum mechanics cannot be verified directly. At least one of them could be wrong. Though, as shown by EPR, this can only be true if non-locality is at work. In light of the latest developments in quantum theory, even that assumption is insufficient. Non-local effects are either unable to cross Bell's limit, or forced to violate Tsirelson's bound. New layers of hidden variables are required to maintain belief in action-at-a-distance, but the three principles cannot be rejected in any case. Therefore, quantum mechanics is immune to this challenge. The hypothesis of non-locality is superfluous.

  19. The preparation of states in quantum mechanics

    E-Print Network [OSTI]

    Juerg Froehlich; Baptiste Schubnel

    2014-09-28

    The important problem of how to prepare a quantum mechanical system, $S$, in a specific initial state of interest - e.g., for the purposes of some experiment - is addressed. Three distinct methods of state preparation are described. One of these methods has the attractive feature that it enables one to prepare $S$ in a preassigned initial state with certainty; i.e., the probability of success in preparing $S$ in a given state is unity. This method relies on coupling $S$ to an open quantum-mechanical environment, $E$, in such a way that the dynamics of $S \\vee E$ pulls the state of $S$ towards an "attractor", which is the desired initial state of $S$. This method is analyzed in detail.

  20. Physical Interpretations of Nilpotent Quantum Mechanics

    E-Print Network [OSTI]

    Peter Rowlands

    2010-04-09

    Nilpotent quantum mechanics provides a powerful method of making efficient calculations. More importantly, however, it provides insights into a number of fundamental physical problems through its use of a dual vector space and its explicit construction of vacuum. Physical interpretation of the nilpotent formalism is discussed with respect to boson and baryon structures, the mass-gap problem, zitterbewgung, Berry phase, renormalization, and related issues.

  1. Unstable trajectories and the quantum mechanical uncertainty

    SciTech Connect (OSTI)

    Moser, Hans R. [Physics Institute, University of Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich (Switzerland)], E-mail: moser@physik.uzh.ch

    2008-08-15

    There is still an ongoing discussion about various seemingly contradictory aspects of classical particle motion and its quantum mechanical counterpart. One of the best accepted viewpoints that intend to bridge the gap is the so-called Copenhagen Interpretation. A major issue there is to regard wave functions as probability amplitudes (usually for the position of a particle). However, the literature also reports on approaches that claim a trajectory for any quantum mechanical particle, Bohmian mechanics probably being the most prominent one among these ideas. We introduce a way to calculate trajectories as well, but our crucial ingredient is their well controlled local (thus also momentaneous) degree of instability. By construction, at every moment their unpredictability, i.e., their local separation rates of neighboring trajectories, is governed by the local value of the given modulus square of a wave function. We present extensive numerical simulations of the H and He atom, and for some velocity-related quantities, namely angular momentum and total energy, we inspect their agreement with the values appearing in wave mechanics. Further, we interpret the archetypal double slit interference experiment in the spirit of our findings. We also discuss many-particle problems far beyond He, which guides us to a variety of possible applications.

  2. Bhomian Mechanics vs. Standard Quantum Mechanics: a Difference in Experimental Predictions

    E-Print Network [OSTI]

    Artur Szczepanski

    2010-02-08

    Standard Quantum Mechanics (QM) predicts an anti-intuitive fenomenon here referred to as "quantum autoscattering", which is excluded by Bhomian Mechanics. The scheme of a gedanken experiment testing the QM prediction is briefly discussed.

  3. 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.

  4. Quantum-Mechanical Model of Spacetime

    E-Print Network [OSTI]

    Jarmo Makela

    2007-06-20

    We consider a possibility to construct a quantum-mechanical model of spacetime, where Planck size quantum black holes act as the fundamental constituents of space and time. Spacetime is assumed to be a graph, where black holes lie on the vertices. Our model implies that area has a discrete spectrum with equal spacing. At macroscopic length scales our model reproduces Einstein's field equation with a vanishing cosmological constant as a sort of thermodynamical equation of state of spacetime and matter fields. In the low temperature limit, where most black holes are assumed to be in the ground state, our model implies the Unruh and the Hawking effects, whereas in the high temperature limit we find, among other things, that black hole entropy depends logarithmically on the event horizon area, instead of being proportional to the area.

  5. Lecture Script: Introduction to Computational Quantum Mechanics

    E-Print Network [OSTI]

    Roman Schmied

    2015-06-05

    This document is the lecture script of a one-semester course taught at the University of Basel in the Fall semesters of 2012 and 2013 and in the Spring semester of 2015. It is aimed at advanced students of physics who are familiar with the concepts and notations of quantum mechanics. Quantum mechanics lectures can often be separated into two classes. In the first class you get to know Schroedinger's equation and find the form and dynamics of simple physical systems (square well, harmonic oscillator, hydrogen atom); most calculations are analytic and inspired by calculations originally done in the 1920s and 1930s. In the second class you learn about large systems such as molecular structures, crystalline solids, or lattice models; these calculations are usually so complicated that it is difficult for the student to understand them in all detail. This lecture tries to bridge the gap between simple analytic calculations and complicated large-scale computations. We will revisit most of the problems encountered in introductory quantum mechanics, focusing on computer implementations for finding analytical as well as numerical solutions and their visualization. Most of these calculations are too complicated to be done by hand. Even relatively simple problems, such as two interacting particles in a one-dimensional trap, do not have analytic solutions and require the use of computers for their solution and visualization. More complex problems scale exponentially with the number of degrees of freedom, and make the use of large computer simulations unavoidable. The course is taught using the Mathematica programming language; however, the concepts presented are readily translated to any other programming language.

  6. A Global Optimization Approach to Quantum Mechanics

    E-Print Network [OSTI]

    Xiaofei Huang

    2006-05-25

    This paper presents a global optimization approach to quantum mechanics, which describes the most fundamental dynamics of the universe. It suggests that the wave-like behavior of (sub)atomic particles could be the critical characteristic of a global optimization method deployed by nature so that (sub)atomic systems can find their ground states corresponding to the global minimum of some energy function associated with the system. The classic time-independent Schrodinger equation is shown to be derivable from the global optimization method to support this argument.

  7. 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: $T=0.4334\\omega$.

  8. Derivation of the coefficient squared probability law in quantum mechanics

    E-Print Network [OSTI]

    Casey Blood

    2013-06-02

    If one assumes there is probability of perception in quantum mechanics, then unitarity dictates that it must have the coefficient squared form, in agreement with experiment.

  9. Baryon Spectrum from Superconformal Quantum Mechanics and its...

    Office of Scientific and Technical Information (OSTI)

    Baryon Spectrum from Superconformal Quantum Mechanics and its Light-Front Holographic Embedding Citation Details In-Document Search Title: Baryon Spectrum from Superconformal...

  10. Baryon Spectrum from Superconformal Quantum Mechanics and its...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Baryon Spectrum from Superconformal Quantum Mechanics and its Light-Front Holographic Embedding Citation Details In-Document Search Title: Baryon Spectrum from...

  11. PHYSICS 706 Quantum Mechanics Spring 2014 Lecturer: Maarten Golterman

    E-Print Network [OSTI]

    Golterman, Maarten

    Quantum Mechanics, 2nd edition (Addison­Wesley) Prerequisites: Physics 701, 785 or permission accommodations are encouraged to contact the instructor. The Disability Programs and Resource Center (DPRC

  12. Is Fresnel Optics Quantum Mechanics in Phase Space?

    E-Print Network [OSTI]

    O. Crasser; H. Mack; W. P. Schleich

    2004-02-17

    We formulate and argue in favor of the following conjecture: There exists an intimate connection between Wigner's quantum mechanical phase space distribution function and classical Fresnel optics.

  13. Quantum mechanics of a generalised rigid body

    E-Print Network [OSTI]

    Ben Gripaios; Dave Sutherland

    2015-04-06

    We consider the quantum version of Arnold's generalisation of a rigid body in classical mechanics. Thus, we quantise the motion on an arbitrary Lie group manifold of a particle whose classical trajectories correspond to the geodesics of any one-sided-invariant metric. We show how the derivation of the spectrum of energy eigenstates can be simplified by making use of automorphisms of the Lie algebra and (for groups of Type I) by methods of harmonic analysis. As examples, we consider all connected and simply-connected Lie groups up to dimension 3. This includes the universal cover of the archetypical rigid body, along with a number of new exactly-solvable models. We also discuss a possible application to the topical problem of quantising a perfect fluid.

  14. A Causal Net Approach to Relativistic Quantum Mechanics

    E-Print Network [OSTI]

    R. D. Bateson

    2012-05-13

    In this paper we discuss a causal network approach to describing relativistic quantum mechanics. Each vertex on the causal net represents a possible point event or particle observation. By constructing the simplest causal net based on Reichenbach-like conjunctive forks in proper time we can exactly derive the 1+1 dimension Dirac equation for a relativistic fermion and correctly model quantum mechanical statistics. Symmetries of the net provide various quantum mechanical effects such as quantum uncertainty and wavefunction, phase, spin, negative energy states and the effect of a potential. The causal net can be embedded in 3+1 dimensions and is consistent with the conventional Dirac equation. In the low velocity limit the causal net approximates to the Schrodinger equation and Pauli equation for an electromagnetic field. Extending to different momentum states the net is compatible with the Feynman path integral approach to quantum mechanics that allows calculation of well known quantum phenomena such as diffraction.

  15. Tampering detection system using quantum-mechanical systems

    DOE Patents [OSTI]

    Humble, Travis S. (Knoxville, TN); Bennink, Ryan S. (Knoxville, TN); Grice, Warren P. (Oak Ridge, TN)

    2011-12-13

    The use of quantum-mechanically entangled photons for monitoring the integrity of a physical border or a communication link is described. The no-cloning principle of quantum information science is used as protection against an intruder's ability to spoof a sensor receiver using a `classical` intercept-resend attack. Correlated measurement outcomes from polarization-entangled photons are used to protect against quantum intercept-resend attacks, i.e., attacks using quantum teleportation.

  16. Outline of Quantum Mechanics William G. Faris 1

    E-Print Network [OSTI]

    Ueltschi, Daniel

    Contents Outline of Quantum Mechanics William G. Faris 1 Inequalities for Schr¨odinger Operators 141 Remarks on the Additivity Conjectures for Quantum Channels Christopher King 177 On the Static mechanics and bring clarity to certain mathematics that has been moti- vated by this field. This too

  17. Environment-Induced Decoherence in Noncommutative Quantum Mechanics

    E-Print Network [OSTI]

    Joao Nuno Prata; Nuno Costa Dias

    2006-12-02

    We address the question of the appearence of ordinary quantum mechanics in the context of noncommutative quantum mechanics. We obtain the noncommutative extension of the Hu-Paz-Zhang master equation for a Brownian particle linearly coupled to a bath of harmonic oscillators. We consider the particular case of an Ohmic regime.

  18. Irrational Dynamical Variables and the Measurement Problem in Quantum Mechanics

    E-Print Network [OSTI]

    Christopher Engelhardt

    2015-07-08

    The quantum mechanical measurement process is considered. A hypothetical concept of irrational dynamical variables is proposed. A possible definition of measurement is discussed along with a mathematical method to calculate experimental result probabilities. The postulates of quantum mechanics are analyzed and modified. Thought experiments and implications are considered.

  19. 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.

  20. The Born Rule in Quantum and Classical Mechanics

    E-Print Network [OSTI]

    Paul Brumer; Jiangbin Gong

    2006-04-24

    Considerable effort has been devoted to deriving the Born rule (e.g. that $|\\psi(x)|^2 dx$ is the probability of finding a system, described by $\\psi$, between $x$ and $x + dx$) in quantum mechanics. Here we show that the Born rule is not solely quantum mechanical; rather, it arises naturally in the Hilbert space formulation of {\\it classical} mechanics as well. These results provide new insights into the nature of the Born rule, and impact on its understanding in the framework of quantum mechanics.

  1. Is Holographic Entropy and Gravity the result of Quantum Mechanics?

    E-Print Network [OSTI]

    Joakim Munkhammar

    2010-03-09

    In this paper we suggest a connection between quantum mechanics and Verlinde's recently proposed entropic force theory for the laws of Newton. We propose an entropy based on the quantum mechanical probability density distribution. With the assumption that the holographic principle holds we propose that our suggested quantum entropy generalizes the Bekenstein entropy used by Verlinde in his approach. Based on this assumption we suggest that Verlinde's entropic theory of gravity has a quantum mechanical origin. We establish a reformulation of the Newtonian potential for gravity based on this quantum mechanical entropy. We also discuss the notion of observation and the correspondence to classical physics. Finally we give a discussion, a number of open problems and some concluding remarks.

  2. 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

  3. 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

  4. Information Security and Quantum Mechanics: Security of Quantum Protocols

    E-Print Network [OSTI]

    P. Oscar Boykin

    2002-10-28

    The problem of security of quantum key protocols is examined. In addition to the distribution of classical keys, the problem of encrypting quantum data and the structure of the operators which perform quantum encryption is studied. It is found that unitary bases are central to both encryption of quantum information, as well as the generation of states used in generalized quantum key distribution (which are called mutually unbiased bases). A one-to-one correspondence between certain unitary bases and mutually unbiased bases is found. Finally, a new protocol for making anonymous classical broadcasts is given along with a security proof. An experimental procedure to implement this protocol is also given. In order to prove these new results, some new bounds for accessible information of quantum sources are obtained.

  5. A Process Algebra Approach to Quantum Mechanics

    E-Print Network [OSTI]

    William H. Sulis

    2014-09-07

    The process approach to NRQM offers a fourth framework for the quantization of physical systems. Unlike the standard approaches (Schrodinger-Heisenberg, Feynman, Wigner-Gronewald-Moyal), the process approach is not merely equivalent to NRQM and is not merely a re-interpretation. The process approach provides a dynamical completion of NRQM. Standard NRQM arises as a asymptotic quotient by means of a set-valued process covering map, which links the process algebra to the usual space of wave functions and operators on Hilbert space. The process approach offers an emergentist, discrete, finite, quasi-non-local and quasi-non-contextual realist interpretation which appears to resolve many of the paradoxes and is free of divergences. Nevertheless, it retains the computational power of NRQM and possesses an emergent probability structure which agrees with NRQM in the asymptotic quotient. The paper describes the process algebra, the process covering map for single systems and the configuration process covering map for multiple systems. It demonstrates the link to NRQM through a toy model. Applications of the process algebra to various quantum mechanical situations - superpositions, two-slit experiments, entanglement, Schrodinger's cat - are presented along with an approach to the paradoxes and the issue of classicality.

  6. High-efficiency quantum state transfer and quantum memory using a mechanical oscillator

    E-Print Network [OSTI]

    Eyob A. Sete; H. Eleuch

    2015-03-30

    We analyze an optomechanical system that can be used to efficiently transfer a quantum state between an optical cavity and a distant mechanical oscillator coupled to a second optical cavity. We show that for a moderate mechanical Q-factor it is possible to achieve a transfer efficiency of $99.4\\%$ by using adjustable cavity damping rates and destructive interference. We also show that the quantum mechanical oscillator can be used as a quantum memory device with an efficiency of $96\\%$ employing a pulsed optomechanical coupling. Although the mechanical dissipation slightly decreases the efficiency, its effect can be significantly reduced by designing a high-Q mechanical oscillator.

  7. 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.

  8. 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

  9. Mechanical nanomanipulation of single strain-induced semiconductor quantum dots

    E-Print Network [OSTI]

    Ludwig-Maximilians-Universität, München

    Mechanical nanomanipulation of single strain-induced semiconductor quantum dots C. Obermu¨ller, A of single strain-induced Ga0.9In0.1As quantum dots. This was achieved by scanning a metal coated tapered of the dots2 owing to the lattice mismatch between the materials. In this case the InP islands are acting

  10. On a commutative ring structure in quantum mechanics

    E-Print Network [OSTI]

    Shigeki Matsutani

    2009-10-10

    In this article, I propose a concept of the $p$-on which is modelled on the multi-photon absorptions in quantum optics. It provides a commutative ring structure in quantum mechanics. Using it, I will give an operator representation of the Riemann $\\zeta$ function.

  11. NESS in quantum statistical mechanics VOJKAN JASI C1

    E-Print Network [OSTI]

    Jaksic, Vojkan

    NESS in quantum statistical mechanics VOJKAN JASI ´C1 , CLAUDE-ALAIN PILLET2 1 Department@univ-tln.fr In this article we describe the construction of canonical Non-Equilibrium Steady States (NESS) for a small quantum]). Definition 1 Let be a state on O. We say that + is a NESS of V associated to the reference state

  12. Born series and unitarity in noncommutative quantum mechanics

    E-Print Network [OSTI]

    F. S. Bemfica; H. O. Girotti

    2008-02-11

    This paper is dedicated to present model independent results for noncommutative quantum mechanics. We determine sufficient conditions for the convergence of the Born series and, in the sequel, unitarity is proved in full generality.

  13. A Low Temperature Expansion for Matrix Quantum Mechanics

    E-Print Network [OSTI]

    Ying-Hsuan Lin; Shu-Heng Shao; Yifan Wang; Xi Yin

    2013-04-08

    We analyze solutions to loop-truncated Schwinger-Dyson equations in massless N=2 and N=4 Wess-Zumino matrix quantum mechanics at finite temperature, where conventional perturbation theory breaks down due to IR divergences. We find a rather intricate low temperature expansion that involves fractional power scaling in the temperature, based on a consistent "soft collinear" approximation. We conjecture that at least in the N=4 matrix quantum mechanics, such scaling behavior holds to all perturbative orders in the 1/N expansion. We discuss some preliminary results in analyzing the gauged supersymmetric quantum mechanics using Schwinger-Dyson equations, and comment on the connection to metastable microstates of black holes in the holographic dual of BFSS matrix quantum mechanics.

  14. Michelson-Morley experiment within the quantum mechanics framework

    E-Print Network [OSTI]

    D. L. Khokhlov

    2008-04-17

    It is revisited the Michelson-Morley experiment within the quantum mechanics framework. One can define the wave function of photon in the whole space at a given moment of time. The phase difference between the source and receiver is a distance between the source and receiver at the time of reception hence it does not depend on the velocity of the frame. Then one can explain the null result of the Michelson-Morley experiment within the quantum mechanics framework.

  15. Bohmian Trajectories as the Foundation of Quantum Mechanics

    E-Print Network [OSTI]

    Sheldon Goldstein; Roderich Tumulka; Nino Zanghi

    2009-12-14

    Bohmian trajectories have been used for various purposes, including the numerical simulation of the time-dependent Schroedinger equation and the visualization of time-dependent wave functions. We review the purpose they were invented for: to serve as the foundation of quantum mechanics, i.e., to explain quantum mechanics in terms of a theory that is free of paradoxes and allows an understanding that is as clear as that of classical mechanics. Indeed, they succeed in serving that purpose in the context of a theory known as Bohmian mechanics, to which this article is an introduction.

  16. Bohmian Mechanics with Complex Action: A New Trajectory-Based Formulation of Quantum Mechanics

    E-Print Network [OSTI]

    Yair Goldfarb; Ilan Degani; David J. Tannor

    2006-04-20

    In recent years there has been a resurgence of interest in Bohmian mechanics as a numerical tool because of its local dynamics, which suggest the possibility of significant computational advantages for the simulation of large quantum systems. However, closer inspection of the Bohmian formulation reveals that the nonlocality of quantum mechanics has not disappeared -- it has simply been swept under the rug into the quantum force. In this paper we present a new formulation of Bohmian mechanics in which the quantum action, S, is taken to be complex. This leads to a single equation for complex S, and ultimately complex x and p but there is a reward for this complexification -- a significantly higher degree of localization. The quantum force in the new approach vanishes for Gaussian wavepacket dynamics, and its effect on barrier tunneling processes is orders of magnitude lower than that of the classical force. We demonstrate tunneling probabilities that are in virtually perfect agreement with the exact quantum mechanics down to 10^{-7} calculated from strictly localized quantum trajectories that do not communicate with their neighbors. The new formulation may have significant implications for fundamental quantum mechanics, ranging from the interpretation of non-locality to measures of quantum complexity.

  17. Quantum network of superconducting qubits through opto-mechanical interface

    E-Print Network [OSTI]

    Zhang-qi Yin; W. L. Yang; L. Sun; L. M. Duan

    2015-01-08

    We propose a scheme to realize quantum networking of superconducting qubits based on the opto-mechanical interface. The superconducting qubits interact with the microwave photons, which then couple to the optical photons through the opto-mechanical interface. The interface generates a quantum link between superconducting qubits and optical flying qubits with tunable pulse shapes and carrier frequencies, enabling transmission of quantum information to other superconducting or atomic qubits. We show that the scheme works under realistic experimental conditions and it also provides a way for fast initialization of the superconducting qubits under 1 K instead of 20 mK operation temperature.

  18. Contexts, Systems and Modalities: a new ontology for quantum mechanics

    E-Print Network [OSTI]

    Alexia Auffèves; Philippe Grangier

    2015-01-23

    In this article we present a possible way to make usual quantum mechanics fully compatible with physical realism, defined as the statement that the goal of physics is to study entities of the natural world, existing independently from any particular observer's perception, and obeying universal and intelligible rules. Rather than elaborating on the quantum formalism itself, we propose to modify the quantum ontology, by requiring that physical properties are attributed jointly to the system, and to the context in which it is embedded. In combination with a quantization principle, this non-classical definition of physical reality sheds new light on counter-intuitive features of quantum mechanics such as the origin of probabilities, non-locality, and the quantum-classical boundary.

  19. 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.

  20. On the hypothesis that quantum mechanism manifests classical mechanics: Numerical approach to the correspondence in search of quantum chaos

    SciTech Connect (OSTI)

    Lee, Sang-Bong

    1993-09-01

    Quantum manifestation of classical chaos has been one of the extensively studied subjects for more than a decade. Yet clear understanding of its nature still remains to be an open question partly due to the lack of a canonical definition of quantum chaos. The classical definition seems to be unsuitable in quantum mechanics partly because of the Heisenberg quantum uncertainty. In this regard, quantum chaos is somewhat misleading and needs to be clarified at the very fundamental level of physics. Since it is well known that quantum mechanics is more fundamental than classical mechanics, the quantum description of classically chaotic nature should be attainable in the limit of large quantum numbers. The focus of my research, therefore, lies on the correspondence principle for classically chaotic systems. The chaotic damped driven pendulum is mainly studied numerically using the split operator method that solves the time-dependent Schroedinger equation. For classically dissipative chaotic systems in which (multi)fractal strange attractors often emerge, several quantum dissipative mechanisms are also considered. For instance, Hoover`s and Kubo-Fox-Keizer`s approaches are studied with some computational analyses. But the notion of complex energy with non-Hermiticity is extensively applied. Moreover, the Wigner and Husimi distribution functions are examined with an equivalent classical distribution in phase-space, and dynamical properties of the wave packet in configuration and momentum spaces are also explored. The results indicate that quantum dynamics embraces classical dynamics although the classicalquantum correspondence fails to be observed in the classically chaotic regime. Even in the semi-classical limits, classically chaotic phenomena would eventually be suppressed by the quantum uncertainty.

  1. Whether quantum mechanics can be almighty even in information science

    E-Print Network [OSTI]

    Koji Nagata; Tadao Nakamura

    2008-11-28

    We discuss that there is a crucial contradiction within quantum mechanics. We derive a proposition concerning a quantum expectation value under the assumption of the existence of the directions in a spin-1/2 system. The quantum predictions within the formalism of von Neumann's projective measurement cannot coexist with the proposition concerning the existence of the directions. Therefore, we have to give up either the existence of the directions or the formalism of von Neumann's projective measurement. Hence there is a crucial contradiction within the Hilbert space formalism of the quantum theory. This implies that there is no axiomatic system for the quantum theory. This also reveals that we need new physical theories in order to explain the handing of raw experimental data. We discuss that this crucial contradiction makes the quantum-theoretical formulation of Deutsch's algorithm questionable.

  2. Tests of quantum mechanics at a {phi}-factory

    SciTech Connect (OSTI)

    Eberhard, P.H.

    1994-08-09

    Unique tests of quantum mechanics, which can only be performed at a 0-factory, are proposed for Da0ne. Each of these tests consists of measuring the difference between the predicted and the actual amount of interference between two processes leading from a single pure initial state to a single pure final state of a kaon system. Estimates are made of the upper limits that will be set for the amount of violation if the predictions of quantum mechanics turn out to be correct. They are of the order a fraction of one percent. For the case where, on the contrary, a significant violation is found, several decoherence mechanisms are considered.

  3. Quantum micro-mechanics with ultracold atoms

    E-Print Network [OSTI]

    Thierry Botter; Daniel Brooks; Subhadeep Gupta; Zhao-Yuan Ma; Kevin L. Moore; Kater W. Murch; Tom P. Purdy; Dan M. Stamper-Kurn

    2008-10-21

    In many experiments isolated atoms and ions have been inserted into high-finesse optical resonators for the study of fundamental quantum optics and quantum information. Here, we introduce another application of such a system, as the realization of cavity optomechanics where the collective motion of an atomic ensemble serves the role of a moveable optical element in an optical resonator. Compared with other optomechanical systems, such as those incorporating nanofabricated cantilevers or the large cavity mirrors of gravitational observatories, our cold-atom realization offers direct access to the quantum regime. We describe experimental investigations of optomechanical effects, such as the bistability of collective atomic motion and the first quantification of measurement backaction for a macroscopic object, and discuss future directions for this nascent field.

  4. Fault Models for Quantum Mechanical Switching Networks

    E-Print Network [OSTI]

    Jacob Biamonte; Jeff S. Allen; Marek A. Perkowski

    2010-01-19

    The difference between faults and errors is that, unlike faults, errors can be corrected using control codes. In classical test and verification one develops a test set separating a correct circuit from a circuit containing any considered fault. Classical faults are modelled at the logical level by fault models that act on classical states. The stuck fault model, thought of as a lead connected to a power rail or to a ground, is most typically considered. A classical test set complete for the stuck fault model propagates both binary basis states, 0 and 1, through all nodes in a network and is known to detect many physical faults. A classical test set complete for the stuck fault model allows all circuit nodes to be completely tested and verifies the function of many gates. It is natural to ask if one may adapt any of the known classical methods to test quantum circuits. Of course, classical fault models do not capture all the logical failures found in quantum circuits. The first obstacle faced when using methods from classical test is developing a set of realistic quantum-logical fault models. Developing fault models to abstract the test problem away from the device level motivated our study. Several results are established. First, we describe typical modes of failure present in the physical design of quantum circuits. From this we develop fault models for quantum binary circuits that enable testing at the logical level. The application of these fault models is shown by adapting the classical test set generation technique known as constructing a fault table to generate quantum test sets. A test set developed using this method is shown to detect each of the considered faults.

  5. The Universal Arrow of Time II: Quantum mechanics case

    E-Print Network [OSTI]

    Oleg Kupervasser

    2013-05-23

    This paper is a natural continuation of our previous paper arXiv:1011.4173 . We illustrated earlier that in classical Hamilton mechanics, for overwhelming majority of real chaotic macroscopic systems, alignment of their thermodynamic time arrows occurs because of their low interaction. This fact and impossibility to observe entropy decrease at introspection explain the second law of thermodynamics. The situation in quantum mechanics is even a little bit easier: all closed systems of finite volume are periodic or nearly periodic. The proof in quantum mechanics is in many respects similar to the proof in classical Hamilton mechanics - it also uses small interaction between subsystems and impossibility to observe entropy decrease at introspection. However, there are special cases which were not found in the classical mechanics. In these cases one microstate corresponds to a set of possible macrostates (more precisely, their quantum superposition). Consideration of this property with use of decoherence theory and taking into account thermodynamic time arrows will introduce new outcomes in quantum mechanics. It allows to resolve basic paradoxes of quantum mechanics: (a) to explain the paradox of wave packet reduction at measurements when an observer is included in the system (introspection) (paradox of the Schrodinger cat); (b) to explain unobservability of superposition of macroscopic states by an external observer in real experiments (paradox of Wigner's friend); (c) to prove full equivalence of multi-world and Copenhagen interpretations of quantum mechanics; (d) to explain deviations from the exponential law at decay of particles and pass from one energy level to another (paradox of a kettle which will never begin to boil).

  6. Introduction to nonequilibrium quantum statistical mechanics

    E-Print Network [OSTI]

    Jaksic, Vojkan

    .1 Basic concepts . . . . . . . . . . . . . . . . . . . . . . . . . . . 6 3.2 NESS and entropy production; ­scattering and NESS . . . . . . . . . . . . . . . . . . . . . . 14 4 Open quantum systems 17 4.1 Definition will discuss the scattering theory of non­equilibrium steady states (NESS) (this topic has been only quickly

  7. Could quantum mechanics describe completely and consistently all superconducting and other quantum phenomena?

    E-Print Network [OSTI]

    A. V. Nikulov

    2015-07-15

    Canonical description of quantization effects observed at measurements on superconducting structures seems one of the most triumphant achievements of quantum mechanics. But impartial consideration uncovers incompleteness and inconsistency of this description. Contradictions in the description of other quantum phenomena are revealed also.

  8. Could quantum mechanics describe completely and consistently all superconducting and other quantum phenomena?

    E-Print Network [OSTI]

    Nikulov, A V

    2015-01-01

    Canonical description of quantization effects observed at measurements on superconducting structures seems one of the most triumphant achievements of quantum mechanics. But impartial consideration uncovers incompleteness and inconsistency of this description. Contradictions in the description of other quantum phenomena are revealed also.

  9. 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.

  10. 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.

  11. Mathematical Foundations of Quantum Mechanics: An Advanced Short Course

    E-Print Network [OSTI]

    Moretti, Valter

    2015-01-01

    This paper collects and extends the lectures given by the author at the "XXIV International Fall Workshop on Geometry and Physics" held in Zaragoza (Spain) during September 2015. Within these lectures I review the formulation of Quantum Mechanics, and quantum theories in general, from a mathematically advanced viewpoint, essentially based on the orthomodular lattice of elementary propositions, discussing some fundamental ideas, mathematical tools and theorems also related to the representation of physical symmetries. The final step consists of an elementary introduction the so-called (C*-) algebraic formulation of quantum theories.

  12. Comment on 'Nonlocality, Counterfactuals and Quantum Mechanics'

    SciTech Connect (OSTI)

    Stapp, H.P.

    1999-04-14

    A recent proof [H. P. Stapp, Am. J. Phys. 65, 300 (1997)], formulated in the symbolic language of modal logic, claims to show that contemporary quantum theory, viewed as a set of rules that allow us to calculate statistical predictions among certain kinds of observations, cannot be imbedded in any rational framework that conforms to the principles that (1) the experimenters' choices of which experiments they will perform can be considered to be free choices, (2) outcomes of measurements are unique, and (3) the free choices just mentioned have no backward-in-time effects of any kind. This claim is similar to Bell's theorem, but much stronger, because no reality assumption alien to quantum philosophy is used. The paper being commented on [W. Unruh, Phys. Rev. A 59, 126 (1999)] argues that some such reality assumption has been ''smuggled'' in. That argument is examined here and shown, I believe, to be defective.

  13. Physics 139B Quantum Mechanics II Fall 2009 Instructor: Howard Haber

    E-Print Network [OSTI]

    California at Santa Cruz, University of

    Physics 139B Quantum Mechanics II Fall 2009 Instructor: Howard Haber O#ce: ISB, Room 326 Phone OUTSIDE READING: Quantum Physics, by Stephen Gasiorowicz Introduction to Quantum Mechanics, by David J to Quantum Mechanics, by John S. Townsend PREREQUISITES: Physics 116C and Physics 139A. It is assumed

  14. Physics 139B Quantum Mechanics II Fall 2009 Instructor: Howard Haber

    E-Print Network [OSTI]

    California at Santa Cruz, University of

    Physics 139B Quantum Mechanics II Fall 2009 Instructor: Howard Haber Office: ISB, Room 326 Phone OUTSIDE READING: Quantum Physics, by Stephen Gasiorowicz Introduction to Quantum Mechanics, by David J to Quantum Mechanics, by John S. Townsend PREREQUISITES: Physics 116C and Physics 139A. It is assumed

  15. Functional Integral Approach to $C^*$-algebraic Quantum Mechanics

    E-Print Network [OSTI]

    John LaChapelle

    2015-05-27

    The algebraic approach to quantum mechanics has been key to the development of the theory since its inception, and the approach has evolved into a mathematically rigorous $C^\\ast$-algebraic formulation of the axioms. Conversely the functional approach in the form of Feynman path integrals is far from mathematically rigorous: Nevertheless, path integrals provide an equally valid and useful formulation of the axioms of quantum mechanics. The two approaches can be merged by employing a recently developed notion of functional integration that allows to construct functional integral representations of $C^\\ast$-algebras. The merger is a hybrid formulation of the axioms of quantum mechanics in which topological groups play a leading role.

  16. Are nonlinear discrete cellular automata compatible with quantum mechanics?

    E-Print Network [OSTI]

    Hans-Thomas Elze

    2015-05-14

    We consider discrete and integer-valued cellular automata (CA). A particular class of which comprises "Hamiltonian CA" with equations of motion that bear similarities to Hamilton's equations, while they present discrete updating rules. The dynamics is linear, quite similar to unitary evolution described by the Schroedinger equation. This has been essential in our construction of an invertible map between such CA and continuous quantum mechanical models, which incorporate a fundamental discreteness scale. Based on Shannon's sampling theory, it leads, for example, to a one-to-one relation between quantum mechanical and CA conservation laws. The important issue of linearity of the theory is examined here by incorporating higher-order nonlinearities into the underlying action. These produce inconsistent nonlocal (in time) effects when trying to describe continuously such nonlinear CA. Therefore, in the present framework, only linear CA and local quantum mechanical dynamics are compatible.

  17. Bell's Experiment in Quantum Mechanics and Classical Physics

    E-Print Network [OSTI]

    Tom Rother

    2013-08-21

    Both the quantum mechanical and classical Bells experiment are within the focus of this paper. The fact that one measures different probabilities in both experiments is traced back to the superposition of two orthogonal but nonentangled substates in the quantum mechanical case. This superposition results in an interference term that can be splitted into two additional states representing a sink and a source of probabilities in the classical event space related to Bells experiment. As a consequence, a statistical operator can be related to the quantum mechanical Bells experiment that contains already negative quasi probabilities, as usually known from quantum optics in conjunction with the Glauber-Sudarshan equation. It is proven that the existence of such negative quasi probabilities are neither a sufficient nor a necessary condition for entanglement. The equivalence of using an interaction picture in a fixed basis or of employing a change of basis to describe Bells experiment is demonstrated afterwards. The discussion at the end of this paper regarding the application of the complementarity principle to the quantum mechanical Bells experiment is supported by very recent double slit experiments performed with polarization entangled photons.

  18. A Specific N = 2 Supersymmetric Quantum Mechanical Model: Supervariable Approach

    E-Print Network [OSTI]

    Shukla, Aradhya

    2015-01-01

    By exploiting the supersymmetric invariant restrictions on the chiral and anti-chiral supervariables, we derive the off-shell nilpotent symmetry transformations for a specific (0 + 1)-dimensional N = 2 supersymmetric quantum mechanical model which is considered on a (1, 2)-dimensional supermanifold (parametrized by a bosonic variable t and a pair of Grassmannian variables (\\theta, \\bar\\theta). We also provide the geometrical meaning to the symmetry transformations. Finally, we show that this specific N = 2 SUSY quantum mechanical model is a model for Hodge theory.

  19. Quantum mechanics as a consequence of discrete interactions

    E-Print Network [OSTI]

    Gabriele Carcassi

    2008-01-05

    Quantum mechanics is usually presented starting from a series of postulates about the mathematical framework. In this work we show that those same postulates can be derived by assuming that measurements are discrete interactions: that is, that we measure at specific moments in time (as opposed to a continuous measurement that spans a long time interval) and that the system is in general affected by our measurement. We believe that this way of presenting quantum mechanics would make it easier to understand by laying out a more cohesive view of the theory and making it resonate more with our physics intuition.

  20. How Einstein's quantum hypothesis requires a departure from classical mechanics

    E-Print Network [OSTI]

    Gabriele Carcassi

    2009-02-16

    The aim of this work is to show how Einstein's quantum hypothesis leads immediately and necessarily to a departure from classical mechanics. First we note that the classical description and predictions are in terms of idealized measurements that are exact, instantaneous, non-perturbative, independent of each other and process agnostic. If we assume we cannot arbitrarily reduce the strength of a signal, measurements are ultimately perturbative to some degree. We show how a physical description in which the best measurement conceivable, i.e. the ideal measurement, perturbs the system leads to all the concepts present in quantum mechanics including conjugate variables, probabilistic predictions and measurements connected to symmetries.

  1. A quantum mechanical description of particle spin rotation in channeling

    SciTech Connect (OSTI)

    Silenko, A.Ya.

    1995-04-01

    Spin rotation of spin-1/2 particles involved in planar channeling in straight and bent crystals is described in a consistent quantum mechanical manner. This is done by solving the Dirac equation in the Foldy-Wouthuysen representation, constructing an operator equation of motion for the spin, and calculating the average value of the spin precession frequency. For the case of channeling in bent crystals agreement is observed between the classical and quantum mechanical expressions, provided that the field of the planes is approximated by a harmonic potential. The effect of spin rotation in straight crystals is also examined. 17 refs.

  2. Quantum mechanical study of a generic quadratically coupled optomechanical system

    E-Print Network [OSTI]

    H. Shi; M. Bhattacharya

    2013-04-22

    Typical optomechanical systems involving optical cavities and mechanical oscillators rely on a coupling that varies linearly with the oscillator displacement. However, recently a coupling varying instead as the square of the mechanical displacement has been realized, presenting new possibilities for non-demolition measurements and mechanical squeezing. In this article we present a quantum mechanical study of a generic quadratic-coupling optomechanical Hamiltonian. First, neglecting dissipation, we provide analytical results for the dressed states, spectrum, phonon statistics and entanglement. Subsequently, accounting for dissipation, we supply a numerical treatment using a master equation approach. We expect our results to be of use to optomechanical spectroscopy, state transfer, wavefunction engineering, and entanglement generation.

  3. A Signed Particle Formulation of Non-Relativistic Quantum Mechanics

    E-Print Network [OSTI]

    Sellier, Jean Michel

    2015-01-01

    A formulation of non-relativistic quantum mechanics in terms of Newtonian particles is presented in the shape of a set of three postulates. In this new theory, quantum systems are described by ensembles of signed particles which behave as field-less classical objects which carry a negative or positive sign and interact with an external potential by means of creation and annihilation events only. This approach is shown to be a generalization of the signed particle Wigner Monte Carlo method which reconstructs the time-dependent Wigner quasi-distribution function of a system and, therefore, the corresponding Schroedinger time-dependent wave-function. Its classical limit is discussed and a physical interpretation, based on experimental evidences coming from quantum tomography, is suggested. Moreover, in order to show the advantages brought by this novel formulation, a straightforward extension to relativistic effects is discussed. To conclude, quantum tunnelling numerical experiments are performed to show the val...

  4. The quantum mechanics of perfect fluids

    E-Print Network [OSTI]

    Solomon Endlich; Alberto Nicolis; Riccardo Rattazzi; Junpu Wang

    2010-11-29

    We consider the canonical quantization of an ordinary fluid. The resulting long-distance effective field theory is derivatively coupled, and therefore strongly coupled in the UV. The system however exhibits a number of peculiarities, associated with the vortex degrees of freedom. On the one hand, these have formally a vanishing strong-coupling energy scale, thus suggesting that the effective theory's regime of validity is vanishingly narrow. On the other hand, we prove an analog of Coleman's theorem, whereby the semiclassical vacuum has no quantum counterpart, thus suggesting that the vortex premature strong-coupling phenomenon stems from a bad identification of the ground state and of the perturbative degrees of freedom. Finally, vortices break the usual connection between short distances and high energies, thus potentially impairing the unitarity of the effective theory.

  5. Quantum Mechanics and Discrete Time from "Timeless" Classical Dynamics

    E-Print Network [OSTI]

    H. -T. Elze

    2003-07-03

    We study classical Hamiltonian systems in which the intrinsic proper time evolution parameter is related through a probability distribution to the physical time, which is assumed to be discrete. - This is motivated by the ``timeless'' reparametrization invariant model of a relativistic particle with two compactified extradimensions. In this example, discrete physical time is constructed based on quasi-local observables. - Generally, employing the path-integral formulation of classical mechanics developed by Gozzi et al., we show that these deterministic classical systems can be naturally described as unitary quantum mechanical models. The emergent quantum Hamiltonian is derived from the underlying classical one. It is closely related to the Liouville operator. We demonstrate in several examples the necessity of regularization, in order to arrive at quantum models with bounded spectrum and stable groundstate.

  6. Harmonic Superfields in N=4 Supersymmetric Quantum Mechanics

    E-Print Network [OSTI]

    Evgeny A. Ivanov

    2011-02-11

    This is a brief survey of applications of the harmonic superspace methods to the models of N=4 supersymmetric quantum mechanics (SQM). The main focus is on a recent progress in constructing SQM models with couplings to the background non-Abelian gauge fields. Besides reviewing and systemizing the relevant results, we present some new examples and make clarifying comments.

  7. New Approach to Bounded Quantum--Mechanical Models

    E-Print Network [OSTI]

    Francisco M. Fernández

    2008-05-21

    We develop an approach for the treatment of one--dimensional bounded quantum--mechanical models by straightforward modification of a successful method for unbounded ones. We apply the new approach to a simple example and show that it provides solutions to both the bounded and unbounded type of models simultaneously

  8. Constructive Inversion of Energy Trajectories in Quantum Mechanics

    E-Print Network [OSTI]

    Hall, Richard L.

    page 1 Constructive Inversion of Energy Trajectories in Quantum Mechanics Richard L. Hall Department of Mathematics and Statistics, Concordia University, 1455 de Maisonneuve Boulevard West, Montr´eal algorithm is devised which allows the potential shape f(x) to be reconstructed from the energy trajectory F

  9. Quantum mechanical reaction probabilities with a power series Green's function

    E-Print Network [OSTI]

    Miller, William H.

    Quantum mechanical reaction probabilities with a power series Green's function Scott M. Auerbach 1993) We present a new method to compute the energy Green's function with absorbing boundary conditions be superior to the fast Fourier transform method for reactive scattering. We apply the resulting power series

  10. Graphene and Quantum Mechanics University of California, Berkeley

    E-Print Network [OSTI]

    Zworski, Maciej

    Graphene and Quantum Mechanics Minjae Lee University of California, Berkeley lee.minjae@math.berkeley.edu March 31, 2014 Minjae Lee (UC Berkeley) Graphene March 31, 2014 1 / 9 #12;Carbon structures Graphite 3 Berkeley) Graphene March 31, 2014 2 / 9 #12;Graphene Graphene A single layer of graphite The thinnest 2D

  11. A Generalized Analytical Mechanics in which Quantum Phenomena Appear

    E-Print Network [OSTI]

    Masao Yasuda

    2015-12-18

    We propose a mechanics of a massive particle in a potential field effective for both classical and quantum system as a modified classical analytical mechanics (modified CM). We transform, under coordinate transformation, the covariant tensor of order two in the Hamilton-Jacobi (H-J) eq. of CM, not with the classical action, but with extended action of diffeomorphism group. Then, the H-J eq., a first-order partial differential eq., is modified to a third-order one. The Euler-Lagrange (E-L) eq. of CM, a second-order ordinary differential eq., related to the H-J eq. through the action integral is accordingly modified to a fourth-order one. Thus obtained mechanics accommodates quantum phenomena due to the higher-order eqs., and always gives trajectory unlike quantum mechanics (QM) due to the E-L eq. Discrete energy levels of a particle in a confining potential are the same as those of QM because quantization criterion is equivalent. Particle distribution in an ensemble disagrees with that of QM even if initial distribution is set identical because dynamics is different; it however agrees with observed data to date within experimental uncertainty. The mechanics thus is a testable alternative to QM.

  12. Jarzynski equality in PT-symmetric quantum mechanics

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

    Deffner, Sebastian; Saxena, Avadh

    2015-04-13

    We show that the quantum Jarzynski equality generalizes to PT -symmetric quantum mechanics with unbroken PT -symmetry. In the regime of broken PT -symmetry the Jarzynski equality does not hold as also the CPT -norm is not preserved during the dynamics. These findings are illustrated for an experimentally relevant system – two coupled optical waveguides. It turns out that for these systems the phase transition between the regimes of unbroken and broken PT -symmetry is thermodynamically inhibited as the irreversible work diverges at the critical point.

  13. Deformation Quantization: Quantum Mechanic Lives and Works in...

    Office of Scientific and Technical Information (OSTI)

    of the density matrix. It has been useful in describing quantum flows in: quantum optics; nuclear physics; decoherence (eg, quantum computing); quantum chaos; 'Welcher Weg'...

  14. ECE 350 / 450 -Fall 2010 Applied Quantum Mechanics for Engineers (3)

    E-Print Network [OSTI]

    Gilchrist, James F.

    ECE 350 / 450 - Fall 2010 Applied Quantum Mechanics for Engineers (3) Instructor: Prof. Nelson Reading Textbook: 1. Nelson Tansu, Applied Quantum Mechanics for Engineers, Draft Version (2004- 2010). We (2006). 3. D. A. B. Miller, Quantum Mechanics for Scientists and Engineers, Cambridge (2008). 4. Richard

  15. Brit. J. Phil. Sci. 58 (2007), 595604 Is Standard Quantum Mechanics

    E-Print Network [OSTI]

    Seevinck, Michiel

    2007-01-01

    Brit. J. Phil. Sci. 58 (2007), 595­604 Is Standard Quantum Mechanics Technologically Inadequate? F]) claims to have demonstrated that standard quantum mechanics is technologically inadequate is that Vermaas' claim that standard quantum mechanics is technologically inadequate evaporates. 1 Introduction 2

  16. Angularly Deformed Special Relativity and its Results for Quantum Mechanics

    E-Print Network [OSTI]

    Glinka, Lukasz Andrzej

    2015-01-01

    In this paper, the deformed Special Relativity, which leads to an essentially new theoretical context of quantum mechanics, is presented. The formulation of the theory arises from a straightforward analogy with the Special Relativity, but its foundations are laid through the hypothesis on breakdown of the velocity-momentum parallelism which affects onto the Einstein equivalence principle between mass and energy of a relativistic particle. Furthermore, the derivation is based on the technique of an eikonal equation whose well-confirmed physical role lays the foundations of both optics and quantum mechanics. As a result, we receive the angular deformation of Special Relativity which clearly depicts the new deformation-based theoretical foundations of physics, and, moreover, offers both constructive and consistent phenomenological discussion of the theoretical issues such like imaginary mass and formal superluminal motion predicted in Special Relativity for this case. In the context of the relativistic theory, p...

  17. General classical and quantum-mechanical description of magnetic resonance

    E-Print Network [OSTI]

    Alexander J. Silenko

    2015-08-04

    A general theoretical description of the magnetic resonance is given. General formulas describing a behavior of all components of the polarization vector at the magnetic resonance are derived in the case of an arbitrary initial polarization. The equations obtained are exact on condition that the nonresonance rotating field is neglected. The spin dynamics is also calculated at frequencies far from resonance without neglecting the above-mentioned field. A quantum-mechanical analysis of the spin evolution at the magnetic resonance is fulfilled and the full agreement between the classical and quantum-mechanical approaches is proven. Distinguishing features of magnetic and quasimagnetic resonances for nuclei and particles moving in accelerators and storage rings which include resonances caused by the electric dipole moment are considered.

  18. General classical and quantum-mechanical description of magnetic resonance

    E-Print Network [OSTI]

    Silenko, Alexander J

    2015-01-01

    A general theoretical description of the magnetic resonance is given. General formulas describing a behavior of all components of the polarization vector at the magnetic resonance are derived in the case of an arbitrary initial polarization. The equations obtained are exact on condition that the nonresonance rotating field is neglected. The spin dynamics is also calculated at frequencies far from resonance without neglecting the above-mentioned field. A quantum-mechanical analysis of the spin evolution at the magnetic resonance is fulfilled and the full agreement between the classical and quantum-mechanical approaches is proven. Distinguishing features of magnetic and quasimagnetic resonances for nuclei and particles moving in accelerators and storage rings which include resonances caused by the electric dipole moment are considered.

  19. Effective approach to non-relativistic quantum mechanics

    E-Print Network [OSTI]

    Jacobs, David M

    2015-01-01

    Boundary conditions on non-relativistic wavefunctions are generally not completely constrained by the basic precepts of quantum mechanics, so understanding the set of possible self-adjoint extensions of the Hamiltonian is required. For real physical systems, non-trivial self-adjoint extensions have been used to model contact potentials when those interactions are expected a priori. However, they must be incorporated into the effective description of any quantum mechanical system in order to capture possible short-distance physics that does not decouple in the low energy limit. Here, an approach is described wherein an artificial boundary is inserted at an intermediate scale on which boundary conditions may encode short-distance effects that are hidden behind the boundary. Using this approach, an analysis is performed of the free particle, harmonic oscillator, and Coulomb potential in three dimensions. Requiring measurable quantities, such as spectra and cross sections, to be independent of this artificial bou...

  20. Electromagnetic deuteron form factors in point form relativistic quantum mechanics

    E-Print Network [OSTI]

    N. A. Khokhlov

    2015-03-10

    A study of electromagnetic structure of the deuteron in the framework of relativistic quantum mechanics is presented. The deuteron form factors dependencies on the transferred 4-momentum Q are calculated. We compare results obtained with different realistic deuteron wave functions stemming from Nijmegen-I, Nijmegen-II, JISP16, CD-Bonn, Paris and Moscow (with forbidden states) potentials. A nucleon form factor parametrization consistent with modern experimental analysis was used as an input data.

  1. The Montevideo Interpretation of Quantum Mechanics: a short review

    E-Print Network [OSTI]

    Rodolfo Gambini; Jorge Pullin

    2015-02-11

    The Montevideo interpretation of quantum mechanics, which consists in supplementing environmental decoherence with fundamental limitations in measurement stemming from gravity, has been described in several publications. However, some of them appeared before the full picture provided by the interpretation was developed. As such it can be difficult to get a good understanding via the published literature. Here we summarize it in a self contained brief presentation including all its principal elements.

  2. Zero-Branes, Quantum Mechanics and the Cosmological Constant

    E-Print Network [OSTI]

    Andrew Chamblin; Neil D. Lambert

    2001-07-25

    We analyse some dynamical issues in a modified type IIA supergravity, recently proposed as an extension of M-theory that admits de Sitter space. In particular we find that this theory has multiple zero-brane solutions. This suggests a microscopic quantum mechanical matrix description which yields a massive deformation of the usual M(atrix) formulation of M-theory and type IIA string theory.

  3. Supporting Information for Mixed Quantum Mechanical/Molecular Mechanical (QM/MM) Study

    E-Print Network [OSTI]

    Gherman, Benjamin F.

    S1 Supporting Information for Mixed Quantum Mechanical/Molecular Mechanical (QM/MM) Study geometries for the QM/MM-optimized R61 acyl-enzyme intermediate protonation/hydrogen bond configurations-blue, O-red, H-gray, S-yellow. (1) (2a) #12;S3 (3) #12;S4 Figure S2. Active site geometries for the QM/MM

  4. Mechanism of Selective Oxidation of Propene to Acrolein on Bismuth Molybdates from Quantum Mechanical Calculations

    E-Print Network [OSTI]

    Goddard III, William A.

    Catalytic oxidation of small olefins to unsaturated aldehydes and catalytic ammoxidation of small olefins,1 primarily through catalytic oxidation of propene (eq 1) In the early stages of this industryMechanism of Selective Oxidation of Propene to Acrolein on Bismuth Molybdates from Quantum

  5. The ZX Calculus is incomplete for Clifford+T quantum mechanics

    E-Print Network [OSTI]

    Simon Perdrix; Quanlong Wang

    2015-06-09

    The ZX calculus is a diagrammatic language for quantum mechanics and quantum information processing. We prove that the ZX-calculus is not complete for Clifford+T quantum mechanics. The completeness for this fragment has been stated as one of the main current open problems in categorical quantum mechanics. The ZX calculus was known to be incomplete for quantum mechanics, on the other hand, it has been proved complete for Clifford quantum mechanics (a.k.a. stabilizer quantum mechanics), and for single-qubit Clifford+T quantum mechanics. The question of the completeness of the ZX calculus for Clifford+T quantum mechanics is a crucial step in the development of the ZX calculus because of its (approximate) universality for quantum mechanics (i.e. any unitary evolution can be approximated using Clifford and T gates only). We exhibit a property which is know to be true in Clifford+T quantum mechanics and prove that this equation cannot be derived in the ZX calculus by introducing a new sound interpretation of the ZX calculus in which this particular property does not hold. Finally, we propose to extend the language with a new axiom.

  6. Angularly Deformed Special Relativity and its Results for Quantum Mechanics

    E-Print Network [OSTI]

    Lukasz Andrzej Glinka

    2015-09-15

    In this paper, the deformed Special Relativity, which leads to an essentially new theoretical context of quantum mechanics, is presented. The formulation of the theory arises from a straightforward analogy with the Special Relativity, but its foundations are laid through the hypothesis on breakdown of the velocity-momentum parallelism which affects onto the Einstein equivalence principle between mass and energy of a relativistic particle. Furthermore, the derivation is based on the technique of an eikonal equation whose well-confirmed physical role lays the foundations of both optics and quantum mechanics. As a result, we receive the angular deformation of Special Relativity which clearly depicts the new deformation-based theoretical foundations of physics, and, moreover, offers both constructive and consistent phenomenological discussion of the theoretical issues such like imaginary mass and formal superluminal motion predicted in Special Relativity for this case. In the context of the relativistic theory, presence of deformation does not break the Poincar\\'{e} invariance, in particular the Lorentz symmetry, and provides essential modifications of both bosons described through the Klein-Gordon equation and fermions satisfying the Dirac equation. On the other hand, on the level of discussion of quantum theory, there arises the concept of emergent deformed space-time, wherein the presence of angular deformation elucidates a certain new insight into the nature of spin, as well as both the Heisenberg uncertainty principle and the Schr\\"odinger wave equation.

  7. Quantum mechanical calculation of Rydberg-Rydberg Auger decay rates

    E-Print Network [OSTI]

    Kiffner, Martin; Li, Wenhui; Jaksch, Dieter

    2015-01-01

    We present quantum mechanical calculations of the Auger decay rate $\\Gamma_A$ of two Rubidium Rydberg atoms with weakly overlapping electron clouds. The two-electron wavefunction is modelled by a single Slater determinant of $nd$ Rydberg orbitals with principal quantum number $n\\le35$. The dependence of $\\Gamma_A$ on the atom-atom separation $R$ is well described by a power law $\\Gamma_A \\propto R^{\\alpha}$ and we calculate the exponents $\\alpha$ for various initial states. For atomic separations equal to the size of the Rydberg electron wave function $R_n$ we find that $\\Gamma_A \\propto n^{-5}$. We discuss the importance of Auger decay compared to other contributions to the electron dynamics in the two Rydberg atom system.

  8. A Pedestrian Approach to the Measurement Problem in Quantum Mechanics

    E-Print Network [OSTI]

    Boughn, Stephen

    2013-01-01

    The quantum theory of measurement has been a matter of debate for over eighty years. Most of the discussion has focused on theoretical issues with the consequence that operational prescriptions, which are integral to experimental physics, have been largely ignored. This has undoubtedly exacerbated attempts to find a solution to the "measurement problem". In this paper, we fully embrace the ensemble interpretation of quantum mechanics that obviates the need to entertain reduction of the state vector, one of the primary dilemmas of the measurement problem. The other major aspect of the measurement problem, the necessity of describing measurements in terms of classical concepts, remains. However, we argue that the ultimate interface with experiments is described by operational prescriptions and not in terms of the concepts of classical theory. The pedestrian approach presented here suggests that the measurement problem is, in some sense, ill-posed and might never be resolved. This state of affairs is, in part, t...

  9. The formulation of quantum statistical mechanics based on the Feynman path centroid density. V. Quantum instantaneous normal mode

    E-Print Network [OSTI]

    Cao, Jianshu

    The formulation of quantum statistical mechanics based on the Feynman path centroid density. V regime using the Feynman path centroid perspective in quantum statistical mechanics. To accomplish of their lack of static and stable structures. The fluidity of liq- uids thereby makes it formally improper

  10. Euler & Lagrange versus Heisenberg & Schroedinger: Dynamical Pictures in Classical and Quantum Mechanics

    E-Print Network [OSTI]

    M. Hossein Partovi

    2013-05-22

    Using quantum-classical analogies, we find that dynamical pictures of quantum mechanics have precise counterparts in classical mechanics. In particular, the Eulerian and Lagrangian descriptions of fluid dynamics in classical mechanics are the analogs of the Schroedinger and Heisenberg pictures in quantum mechanics, respectively. Similarities between classical and quantum dynamical pictures are explored within the framework of the Koopman-von Neumann formalism. These allow for a natural definition of various dynamical pictures in classical mechanics as well as the application of classical concepts to quantum dynamics. As an illustration, we use the interaction picture to find the classical evolution of an ensemble of particles of equal initial momenta and arbitrary configuration density under the action of a constant force in one dimension. As a second example, we discuss the extension of the ideas of sensitivity to initial conditions and chaos in classical mechanics to quantum mechanics.

  11. Toward quantum opto-mechanics in a gram-scale suspended mirror interferometer

    E-Print Network [OSTI]

    Wipf, Christopher (Christopher Conrad)

    2013-01-01

    A new generation of interferometric gravitational wave detectors, currently under construction, will closely approach the fundamental quantum limits of measurement, serving as a prominent example of quantum mechanics at ...

  12. Extended Supersymmetric Quantum Mechanics of Fierz and Schur Type

    E-Print Network [OSTI]

    Zhanna Kuznetsova; Francesco Toppan

    2010-12-05

    We discuss two independent constructions to introduce an N-extended Supersymmetric Quantum Mechanics. The first one makes use of the Fierz identities while the second one (divided into two subcases) makes use of the Schur lemma. The N supercharges Q_I are square roots of a free Hamiltonian H given by the tensor product of a D-dimensional Laplacian and a 2d-dimensional identity matrix operator. We present the mutual relations among N, D and d. The mod 8 Bott's periodicity of Clifford algebras is encoded, in the Fierz case, in the Radon-Hurwitz function and, in the Schur case, in an extra independent function.

  13. Extended Supersymmetric Quantum Mechanics of Fierz and Schur Type

    E-Print Network [OSTI]

    Kuznetsova, Zhanna

    2010-01-01

    We discuss two independent constructions to introduce an N-extended Supersymmetric Quantum Mechanics. The first one makes use of the Fierz identities while the second one (divided into two subcases) makes use of the Schur lemma. The N supercharges Q_I are square roots of a free Hamiltonian H given by the tensor product of a D-dimensional Laplacian and a 2d-dimensional identity matrix operator. We present the mutual relations among N, D and d. The mod 8 Bott's periodicity of Clifford algebras is encoded, in the Fierz case, in the Radon-Hurwitz function and, in the Schur case, in an extra independent function.

  14. Loop formulation of supersymmetric Yang-Mills quantum mechanics

    E-Print Network [OSTI]

    Kyle Steinhauer; Urs Wenger

    2014-10-01

    We derive the fermion loop formulation of N=4 supersymmetric SU(N) Yang-Mills quantum mechanics on the lattice. The loop formulation naturally separates the contributions to the partition function into its bosonic and fermionic parts with fixed fermion number and provides a way to control potential fermion sign problems arising in numerical simulations of the theory. Furthermore, we present a reduced fermion matrix determinant which allows the projection into the canonical sectors of the theory and hence constitutes an alternative approach to simulate the theory on the lattice.

  15. 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.

  16. The extension problem for partial Boolean structures in Quantum Mechanics

    E-Print Network [OSTI]

    Costantino Budroni; Giovanni Morchio

    2011-01-13

    Alternative partial Boolean structures, implicit in the discussion of classical representability of sets of quantum mechanical predictions, are characterized, with definite general conclusions on the equivalence of the approaches going back to Bell and Kochen-Specker. An algebraic approach is presented, allowing for a discussion of partial classical extension, amounting to reduction of the number of contexts, classical representability arising as a special case. As a result, known techniques are generalized and some of the associated computational difficulties overcome. The implications on the discussion of Boole-Bell inequalities are indicated.

  17. The extension problem for partial Boolean structures in Quantum Mechanics

    E-Print Network [OSTI]

    Budroni, Costantino

    2010-01-01

    Alternative partial Boolean structures, implicit in the discussion of classical representability of sets of quantum mechanical predictions, are characterized, with definite general conclusions on the equivalence of the approaches going back to Bell and Kochen-Specker. An algebraic approach is presented, allowing for a discussion of partial classical extension, amounting to reduction of the number of contexts, classical representability arising as a special case. As a result, known techniques are generalized and some of the associated computational difficulties overcome. The implications on the discussion of Boole-Bell inequalities are indicated.

  18. Twisting all the way: From classical mechanics to quantum fields

    SciTech Connect (OSTI)

    Aschieri, Paolo

    2008-01-15

    We discuss the effects that a noncommutative geometry induced by a Drinfeld twist has on physical theories. We systematically deform all products and symmetries of the theory. We discuss noncommutative classical mechanics, in particular its deformed Poisson bracket and hence time evolution and symmetries. The twisting is then extended to classical fields, and then to the main interest of this work: quantum fields. This leads to a geometric formulation of quantization on noncommutative space-time, i.e., we establish a noncommutative correspondence principle from *-Poisson brackets to * commutators. In particular commutation relations among creation and annihilation operators are deduced.

  19. Classical mechanics as the many-particle limit of quantum mechanics

    E-Print Network [OSTI]

    Gabriele Carcassi

    2009-02-02

    We derive the classical limit of quantum mechanics by describing the center of mass of a system constituted by a large number of particles. We will show that in that limit the commutator between the position and velocity of the center of mass is infinitesimal, which allows both to be known with great precision. We then show how the infinitesimal commutator allows for the definition of functions of position and velocity, and how the commutator reduces to a Poisson bracket.

  20. Does Quantum Mechanics Make Sense?Does Quantum Mechanics Make Sense? Some relatively simple concepts show why the answer is yes.Some relatively simple concepts show why the answer is yes.

    E-Print Network [OSTI]

    Fayer, Michael D.

    Does Quantum Mechanics Make Sense?Does Quantum Mechanics Make Sense? Some relatively simple Classical Mechanics Quantum Mechanics Relative Absolute What does relative vs. absolute size mean?What does relative vs. absolute size mean? Why does it matter?Why does it matter? #12;Classical Mechanics

  1. N + 1 dimensional quantum mechanical model for a closed universe

    E-Print Network [OSTI]

    T. R. Mongan

    1999-02-10

    A quantum mechanical model for an N + 1 dimensional universe arising from a quantum fluctuation is outlined. (3 + 1) dimensions are a closed infinitely-expanding universe and the remaining N - 3 dimensions are compact. The (3 + 1) non-compact dimensions are modeled by quantizing a canonical Hamiltonian description of a homogeneous isotropic universe. It is assumed gravity and the strong-electro-weak (SEW) forces had equal strength in the initial state. Inflation occurred when the compact N -3 dimensional space collapsed after a quantum transition from the initial state of the univers, during its evolution to the present state where gravity is much weaker than the SEW force. The model suggests the universe has no singularities and the large size of our present universe is determined by the relative strength of gravity and the SEW force today. A small cosmological constant, resulting from the zero point energy of the scalar field corresponding to the compact dimensions, makes the model universe expand forever.

  2. Simultaneous emergence of curved spacetime and quantum mechanics

    E-Print Network [OSTI]

    S S De; F Rahaman

    2014-12-10

    It is shown in this paper that the geometrically structureless spacetime manifold is converted instantaneously to a curved one, the Riemannian or may be a Finslerian spacetime with an associated Riemannian spacetime, on the appearance of quantum Weyl spinors dependent only on time in that background flat manifold and having the sympleic property in the abstract space of spinors. The scenario depicts simultaneous emergence of the gravity in accord with general relativity and quantum mechanics.The emergent gravity leads to the generalized uncertainty principle, which in turn, ushers in discrete space time. The emerged space time is specified here as to be Finslerian and the field equation in that space time has been obtained from the classical one due to the arising quantized space and time. From this field equation we find the quantum field equation for highly massive (of the Planck order) spinors in the associated Riemannian space of the Finsler space, which is in fact, the background FRW space time of the universe.These highly massive spinors provide the mass distribution complying Einstein equivalence principle. All these occurred in the indivisible minimum time considered as zero time or spontaneity.

  3. Substrate Hydroxylation in Methane Monooxygenase: Quantitative Modeling via Mixed Quantum Mechanics/

    E-Print Network [OSTI]

    Gherman, Benjamin F.

    Substrate Hydroxylation in Methane Monooxygenase: Quantitative Modeling via Mixed Quantum Mechanics with mixed quantum mechanics/molecular mechanics (QM/MM) methods, the hydroxylation of methane. With the current results, recent kinetic data for CH3X (X ) H, CH3, OH, CN, NO2) substrate hydroxylation in MMOH

  4. Quantum Mechanical Methods for Drug Design Ting Zhou, Danzhi Huang, and Amedeo Caflisch

    E-Print Network [OSTI]

    Caflisch, Amedeo

    Quantum Mechanical Methods for Drug Design Ting Zhou, Danzhi Huang, and Amedeo Caflisch Department mechanical methods in computer-aided drug design (CADD) is not just a consequence of ever growing computing.zhou@bioc.uzh.ch; Caflisch@bioc.uzh.ch Phone: +41 44 635 55 21. Fax: +41 44 635 68 62 Abstract Quantum mechanical (QM

  5. Chan, H. B.; Yelton, J. 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL...

    Office of Scientific and Technical Information (OSTI)

    in microelectromechanical systems Chan, H. B.; Yelton, J. 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS Our goal was to explore the strong dependence of the Casimir force...

  6. Mini-Proceedings ECT*: Speakable in quantum mechanics: atomic, nuclear and subnuclear physics tests

    E-Print Network [OSTI]

    C. Curceanu; J. Marton; E. Milotti

    2011-12-06

    Mini-Proceedings ECT*: Speakable in quantum mechanics: atomic, nuclear and subnuclear physics tests, ECT*-Trento, 29 August - 2 September, 2011

  7. Uncertainty and information in classical mechanics formulation. Common ground for thermodynamics and quantum mechanics

    E-Print Network [OSTI]

    Adrian Faigon

    2007-11-01

    Mechanics can be founded on a principle relating the uncertainty delta-q in the trajectory of an observable particle to its motion relative to the observer. From this principle, p.delta-q=const., p being the q-conjugated momentum, mechanical laws are derived and the meaning of the Lagrangian and Hamiltonian functions are discussed. The connection between the presented principle and Hamilton's Least Action Principle is examined. Wave mechanics and Schrodinger equation appear without additional assumptions by choosing the representation for delta-q in the case the motion is not trajectory describable. The Cramer-Rao inequality serves that purpose. For a particle hidden from direct observation, the position uncertainty determined by the enclosing boundaries leads to thermodynamics in a straightforward extension of the presented formalism. The introduction of uncertainty in classical mechanics formulation enables the translation of mechanical laws into the wide ranging conceptual framework of information theory. The boundaries between classical mechanics, thermodynamics and quantum mechanics are defined in terms of informational changes associated with the system evolution. As a direct application of the proposed formulation upper bounds for the rate of information transfer are derived.

  8. Quantum Structures of a Model-Universe: An Inconsistency with Everett Interpretation of Quantum Mechanics

    E-Print Network [OSTI]

    J. Jeknic-Dugic; M. Dugic; A. Francom

    2013-08-13

    We observe a Quantum Brownian Motion (QBM) Model Universe in conjunction with recently established Entanglement Relativity and Parallel Occurrence of Decoherence. The Parallel Occurrence of Decoherence establishes the simultaneous occurrence of decoherence for two mutually irreducible structures (decomposition into subsystems) of the total QBM model universe. First we find that Everett world branching for one structure excludes branching for the alternate structure and in order to reconcile this situation branching cannot be allowed for either of the structures considered. Second, we observe the non-existence of a third, "emergent structure", that could approximate both structures and also be allowed to branch. Ultimately we find unless world-branching requires additional criteria or conditions, or there is a privileged structure, that we provide a valid model that cannot be properly described by the Everett Interpretation of Quantum Mechanics.

  9. Quantum mechanics based force field for carbon ,,QMFF-Cx... validated to reproduce the mechanical and thermodynamics properties

    E-Print Network [OSTI]

    Goddard III, William A.

    Quantum mechanics based force field for carbon ,,QMFF-Cx... validated to reproduce the mechanical mechanics based force field for carbon QMFF-Cx by fitting to results from density functional theory . A third, eclipsed geometry is calculated to be much higher in energy. The QMFF-Cx force field leads

  10. Ab initio statistical mechanics of surface adsorption and desorption. II. Nuclear quantum effects

    E-Print Network [OSTI]

    Alfè, Dario

    systems for which quantum contributions to the free energy are known exactly from analytic arguments/mol. As a contribution to these developments, we present here a practical scheme for including quantum nuclear effectsAb initio statistical mechanics of surface adsorption and desorption. II. Nuclear quantum effects D

  11. Mechanical resonators for storage and transfer of electrical and optical quantum states

    E-Print Network [OSTI]

    S. A. McGee; D. Meiser; C. A. Regal; K. W. Lehnert; M. J. Holland

    2013-05-29

    We study an optomechanical system in which a microwave field and an optical field are coupled to a common mechanical resonator. We explore methods that use these mechanical resonators to store quantum mechanical states and to transduce states between the electromagnetic resonators from the perspective of the effect of mechanical decoherence. Besides being of fundamental interest, this coherent quantum state transfer could have important practical implications in the field of quantum information science, as it potentially allows one to overcome intrinsic limitations of both microwave and optical platforms. We discuss several state transfer protocols and study their transfer fidelity using a fully quantum mechanical model that utilizes quantum state-diffusion techniques. This work demonstrates that mechanical decoherence should not be an insurmountable obstacle in realizing high fidelity storage and transduction.

  12. A Review of Student Difficulties in Upper-Level Quantum Mechanics

    E-Print Network [OSTI]

    Singh, Chandralekha

    2015-01-01

    Learning advanced physics, in general, is challenging not only due to the increased mathematical sophistication but also because one must continue to build on all of the prior knowledge acquired at the introductory and intermediate levels. In addition, learning quantum mechanics can be especially challenging because the paradigms of classical mechanics and quantum mechanics are very different. Here, we review research on student reasoning difficulties in learning upper-level quantum mechanics and research on students' problem-solving and metacognitive skills in these courses. Some of these studies were multi-university investigations. The investigations suggest that there is large diversity in student performance in upper-level quantum mechanics regardless of the university, textbook, or instructor and many students in these courses have not acquired a functional understanding of the fundamental concepts. The nature of reasoning difficulties in learning quantum mechanics is analogous to reasoning difficulties...

  13. Tungsten-dependent formaldehyde ferredoxin oxidoreductase: Reaction mechanism from quantum chemical calculations

    E-Print Network [OSTI]

    Liao, Rongzhen

    Tungsten-dependent formaldehyde ferredoxin oxidoreductase: Reaction mechanism from quantum chemical April 2011 Keywords: Tungstoenzyme Formaldehyde oxidoreductase Reaction mechanism Density functional theory Enzyme catalysis Formaldehyde ferredoxin oxidoreductase from Pyrococcus furiosus is a tungsten

  14. Quantum Mechanics and the Principle of Least Radix Economy

    E-Print Network [OSTI]

    Vladimir Garcia-Morales

    2015-01-08

    A new variational method, the principle of least radix economy, is formulated. The mathematical and physical relevance of the radix economy, also called digit capacity, is established, showing how physical laws can be derived from this concept in a unified way. The principle reinterprets and generalizes the principle of least action yielding two classes of physical solutions: least action paths and quantum wavefunctions. A new physical foundation of the Hilbert space of quantum mechanics is then accomplished and it is used to derive the Schr\\"odinger and Dirac equations and the breaking of the commutativity of spacetime geometry. The formulation provides an explanation of how determinism and random statistical behavior coexist in spacetime and a framework is developed that allows dynamical processes to be formulated in terms of chains of digits. These methods lead to a new (pre-geometrical) foundation for Lorentz transformations and special relativity. The Parker-Rhodes combinatorial hierarchy is encompassed within our approach and this leads to an estimate of the interaction strength of the electromagnetic and gravitational forces that agrees with the experimental values to an error of less than one thousandth. Finally, it is shown how the principle of least-radix economy naturally gives rise to Boltzmann's principle of classical statistical thermodynamics. A new expression for a general (path-dependent) nonequilibrium entropy is proposed satisfying the Second Law of Thermodynamics.

  15. A Pedestrian Approach to the Measurement Problem in Quantum Mechanics

    E-Print Network [OSTI]

    Stephen Boughn; Marcel Reginatto

    2013-09-03

    The quantum theory of measurement has been a matter of debate for over eighty years. Most of the discussion has focused on theoretical issues with the consequence that operational prescriptions, which are integral to experimental physics, have been largely ignored. This has undoubtedly exacerbated attempts to find a solution to the "measurement problem". In this paper, we fully embrace the ensemble interpretation of quantum mechanics that obviates the need to entertain reduction of the state vector, one of the primary dilemmas of the measurement problem. The other major aspect of the measurement problem, the necessity of describing measurements in terms of classical concepts, remains. However, we argue that the ultimate interface with experiments is described by operational prescriptions and not in terms of the concepts of classical theory. The pedestrian approach presented here suggests that the measurement problem is, in some sense, ill-posed and might never be resolved. This state of affairs is, in part, the result of searching for a theoretical answer to what is fundamentally an experimental question. This point of view is tenable so long as one is willing to view physical theories as providing models of nature rather than complete descriptions of reality. Among other things, these considerations lead us to suggest that the Copenhagen interpretation's insistence on the classicality of the measurement apparatus should be replaced by the requirement that a measurement, which is specified operationally, should simply be of sufficient precision.

  16. A conjecture concerning determinism and phases in quantum mechanics

    E-Print Network [OSTI]

    Arthur Jabs

    2015-02-04

    It is shown that it is possible to introduce determinism into quantum mechanics by tracing the probabilities in the Born rules back to pseudorandomness in the absolute phase constants of the wave functions. Each wave function is conceived to contain an individual phase factor exp(i alpha). In an ensemble of systems the phase constants alpha are taken to be pseudorandom numbers. A reduction process (collapse) of the wave function, independent of any measurement, is conceived to be a spatial contraction, and a criterion is conjectured of when and where it occurs. It depends on the phase constants of both the considered wave function and that of a small cluster in its environment. A measurement apparatus offers an appropriate environment and associates the point of contraction with an eigenvalue of the observable. The theory is nonlocal and contextual.

  17. Classical and quantum-mechanical phase space distributions

    E-Print Network [OSTI]

    Thomas Kiesel

    2013-06-21

    We examine the notion of nonclassicality in terms of quasiprobability distributions. In particular, we do not only ask if a specific quasiprobability can be interpreted as a classical probability density, but require that characteristic features of classical electrodynamics are resembled. We show that the only quasiprobabilities which correctly describe the superposition principle of classical electromagnetic fields are the $s$-parameterized quasiprobabilities. Furthermore, the Glauber-Sudarshan P function is the only quantum-mechanical quasiprobability which is transformed at a classical attenuator in the same way as a classical probability distribution. This result strengthens the definition of nonclassicality in terms of the P function, in contrast to possible definitions in terms of other quasiprobabilities.

  18. Thermodynamic Evidence for Water as a Quantum Mechanical Liquid

    E-Print Network [OSTI]

    A. Widom; S. Sivasubramanian; D. Drosdoff; Y. N. Srivastava

    2010-01-22

    We consider general theoretical models of water and in particular the nature of the motions of the hydrogen nuclei. If the motion of hydrogen nuclei is classical, then the thermodynamic pressure equation of state for heavy water wherein the hydrogen nuclei are deuterons is identical to the pressure equation of state for light water wherein the hydrogen nuclei are protons. Since the experimental thermodynamic phase diagram for light water is clearly measurably different from the experimental thermodynamic phase diagram for heavy water, one may deduce that the motions of hydrogen nuclei are quantum mechanical in nature. This conclusion is in physical agreement with a recent analysis of X-ray, neutron and deep inelastic neutron scattering data.

  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. Converged vibrational energy levels and quantum mechanical vibrational partition function of ethane

    E-Print Network [OSTI]

    Truhlar, Donald G

    Converged vibrational energy levels and quantum mechanical vibrational partition function of ethane­25 In this article, we report converged vibrational levels and converged quantum mechanical vibrational partition-0431 Received 25 January 2006; accepted 15 March 2006; published online 9 May 2006 The vibrational partition

  1. Mechanism for thermoelectric figure-of-merit enhancement in regimented quantum dot superlattices

    E-Print Network [OSTI]

    Mechanism for thermoelectric figure-of-merit enhancement in regimented quantum dot superlattices propose a mechanism for enhancement of the thermoelectric figure-of-merit in regimented quantum dot, as a result, to the thermoelectric figure-of-merit enhancement. To maximize the improvement, one has to tune

  2. An Investigation on the Basic Conceptual Foundations of Quantum Mechanics by Using the Clifford Algebra

    E-Print Network [OSTI]

    Elio Conte

    2011-06-14

    We review our approach to quantum mechanics adding also some new interesting results. We start by giving proof of two important theorems on the existence of the and Clifford algebras. This last algebra gives proof of the von Neumann basic postulates on the quantum measurement explaining thus in an algebraic manner the wave function collapse postulated in standard quantum theory. In this manner we reach the objective to expose a self-consistent version of quantum mechanics. We give proof of the quantum like Heisenberg uncertainty relations, the phenomenon of quantum Mach Zender interference as well as quantum collapse in some cases of physical interest We also discuss the problem of time evolution of quantum systems as well as the changes in space location. We also give demonstration of the Kocken-Specher theorem, and also we give an algebraic formulation and explanation of the EPR . By using the same approach we also derive Bell inequalities. Our formulation is strongly based on the use of idempotents that are contained in Clifford algebra. Their counterpart in quantum mechanics is represented by the projection operators that are interpreted as logical statements, following the basic von Neumann results. Using the Clifford algebra we are able to invert such result. According to the results previously obtained by Orlov in 1994, we are able to give proof that quantum mechanics derives from logic. We show that indeterminism and quantum interference have their origin in the logic.

  3. Quantum Information Biology: from information interpretation of quantum mechanics to applications in molecular biology and cognitive psychology

    E-Print Network [OSTI]

    Masanari Asano; Irina Basieva; Andrei Khrennikov; Masanori Ohya; Yoshiharu Tanaka; Ichiro Yamato

    2015-03-09

    We discuss foundational issues of quantum information biology (QIB) -- one of the most successful applications of the quantum formalism outside of physics. QIB provides a multi-scale model of information processing in bio-systems: from proteins and cells to cognitive and social systems. This theory has to be sharply distinguished from "traditional quantum biophysics". The latter is about quantum bio-physical processes, e.g., in cells or brains. QIB models the dynamics of information states of bio-systems. It is based on the quantum-like paradigm: complex bio-systems process information in accordance with the laws of quantum information and probability. This paradigm is supported by plenty of statistical bio-data collected at all scales, from molecular biology and genetics/epigenetics to cognitive psychology and behavioral economics. We argue that the information interpretation of quantum mechanics (its various forms were elaborated by Zeilinger and Brukner, Fuchs and Mermin, and D' Ariano) is the most natural interpretation of QIB. We also point out that QBIsm (Quantum Bayesianism) can serve to find a proper interpretation of bio-quantum probabilities. Biologically QIB is based on two principles: a) adaptivity; b) openness (bio-systems are fundamentally open). These principles are mathematically represented in the framework of a novel formalism -- quantum adaptive dynamics which, in particular, contains the standard theory of open quantum systems as a special case of adaptivity (to environment).

  4. Quantum-mechanical aspects of classically chaotic driven systems

    SciTech Connect (OSTI)

    Milonni, P.W.; Ackerhalt, J.R.; Goggin, M.E.

    1987-01-01

    This paper treats atoms and molecules in laser fields as periodically driven quantum systems. The paper concludes by determining that stochastic excitation is possible in quantum systems with quasiperiodic driving. 17 refs. (JDH)

  5. Quantum memories with electrically controlled storage and retrieval in an opto- and electro-mechanical cavity

    E-Print Network [OSTI]

    Li-Guo Qin; Zhong-Yang Wang; Gong-Wei Lin; Jing-Yun Zhao; Shang-Qing Gong

    2013-09-12

    We propose a novel scheme to realize electrically controlled quantum memories in the opto- and electro-mechanical (OEM) cavity. Combining this OEM cavity with the mechanism of Electromagnetically Induced Transparency (EIT) we find that the quantum interference, arising from the two optical transitions of the $\\Lambda$ type three-level atomic ensembles, can be manipulated electrically. Numerical calculations show that the probe photon state can be well stored into the atomic spin state by sending an electric current pulse and retrieved with time-reverse symmetry by sending the other current pulse with opposite direction. The quantum interference with electric controlling is expected to apply to other quantum control aspects.

  6. Similarity between quantum mechanics and thermodynamics: Entropy, temperature, and Carnot cycle

    E-Print Network [OSTI]

    Sumiyoshi Abe; Shinji Okuyama

    2011-03-04

    Similarity between quantum mechanics and thermodynamics is discussed. It is found that if the Clausius equality is imposed on the Shannon entropy and the analogue of the heat quantity, then the value of the Shannon entropy comes to formally coincide with that of the von Neumann entropy of the canonical density matrix, and pure-state quantum mechanics apparently transmutes into quantum thermodynamics. The corresponding quantum Carnot cycle of a simple two-state model of a particle confined in a one-dimensional infinite potential well is studied, and its efficiency is shown to be identical to the classical one.

  7. Similarity between quantum mechanics and thermodynamics: Entropy, temperature, and Carnot cycle

    E-Print Network [OSTI]

    Abe, Sumiyoshi

    2010-01-01

    Similarity between quantum mechanics and thermodynamics is discussed. It is found that if the Clausius equality is imposed on the Shannon entropy and the analogue of the heat quantity, then the value of the Shannon entropy comes to formally coincide with that of the von Neumann entropy of the canonical density matrix, and pure-state quantum mechanics apparently transmutes into quantum thermodynamics. The corresponding quantum Carnot cycle of a simple two-state model of a particle confined in a one-dimensional infinite potential well is studied, and its efficiency is shown to be identical to the classical one.

  8. The von Neumann model of measurement in quantum mechanics

    SciTech Connect (OSTI)

    Mello, Pier A.

    2014-01-08

    We describe how to obtain information on a quantum-mechanical system by coupling it to a probe and detecting some property of the latter, using a model introduced by von Neumann, which describes the interaction of the system proper with the probe in a dynamical way. We first discuss single measurements, where the system proper is coupled to one probe with arbitrary coupling strength. The goal is to obtain information on the system detecting the probe position. We find the reduced density operator of the system, and show how Lüders rule emerges as the limiting case of strong coupling. The von Neumann model is then generalized to two probes that interact successively with the system proper. Now we find information on the system by detecting the position-position and momentum-position correlations of the two probes. The so-called 'Wigner's formula' emerges in the strong-coupling limit, while 'Kirkwood's quasi-probability distribution' is found as the weak-coupling limit of the above formalism. We show that successive measurements can be used to develop a state-reconstruction scheme. Finally, we find a generalized transform of the state and the observables based on the notion of successive measurements.

  9. Frequency-domain multiscale quantum mechanics/electromagnetics simulation method

    SciTech Connect (OSTI)

    Meng, Lingyi; Yin, Zhenyu; Yam, ChiYung E-mail: ghc@everest.hku.hk; Koo, SiuKong; Chen, GuanHua E-mail: ghc@everest.hku.hk; Chen, Quan; Wong, Ngai

    2013-12-28

    A frequency-domain quantum mechanics and electromagnetics (QM/EM) method is developed. Compared with the time-domain QM/EM method [Meng et al., J. Chem. Theory Comput. 8, 1190–1199 (2012)], the newly developed frequency-domain QM/EM method could effectively capture the dynamic properties of electronic devices over a broader range of operating frequencies. The system is divided into QM and EM regions and solved in a self-consistent manner via updating the boundary conditions at the QM and EM interface. The calculated potential distributions and current densities at the interface are taken as the boundary conditions for the QM and EM calculations, respectively, which facilitate the information exchange between the QM and EM calculations and ensure that the potential, charge, and current distributions are continuous across the QM/EM interface. Via Fourier transformation, the dynamic admittance calculated from the time-domain and frequency-domain QM/EM methods is compared for a carbon nanotube based molecular device.

  10. Supersymmetric descendants of self-adjointly extended quantum mechanical Hamiltonians

    SciTech Connect (OSTI)

    Al-Hashimi, M.H.; Salman, M.; Shalaby, A.; Wiese, U.-J.

    2013-10-15

    We consider the descendants of self-adjointly extended Hamiltonians in supersymmetric quantum mechanics on a half-line, on an interval, and on a punctured line or interval. While there is a 4-parameter family of self-adjointly extended Hamiltonians on a punctured line, only a 3-parameter sub-family has supersymmetric descendants that are themselves self-adjoint. We also address the self-adjointness of an operator related to the supercharge, and point out that only a sub-class of its most general self-adjoint extensions is physical. Besides a general characterization of self-adjoint extensions and their supersymmetric descendants, we explicitly consider concrete examples, including a particle in a box with general boundary conditions, with and without an additional point interaction. We also discuss bulk-boundary resonances and their manifestation in the supersymmetric descendant. -- Highlights: •Self-adjoint extension theory and contact interactions. •Application of self-adjoint extensions to supersymmetry. •Contact interactions in finite volume with Robin boundary condition.

  11. On the Mechanism of Above Room Temperature Superconductivity and Superfluidity by Relativistic Quantum Mechanics

    E-Print Network [OSTI]

    Reginald B. Little

    2015-04-23

    A comprehensive theory of superconductivity (SC) and superfluidity (SF) is presented of new types III and IV at temperatures into millions of degrees involving phase transitions of fermions in heat reservoirs to form general relativistic triple quasi-particles of 3 fermions interacting to boson-fermion pairs. Types 0, I, and II SC/SF are deduced from such triples as: thermally dressed, relativistic fermionic vortices; spin coupled, dressed, fermionic vortical pairs (diamagnetic bosons); and spinrevorbitally coupled, dressed fermionic, vortical pairs (ferromagnetic bosons). All known SC, SF and trends in critical temperatures (Tc) are thereby explained. The recently observed SC/SF in nano-graphene systems is explained. The above room temperature SC/SF is predicted and modeled by transformations of intense thermal boson populations of heat reservoirs to relativistic mass, weight, spin and magnetism for further reasoning over compression to electricity, weak phenomena and strong phenomena for connecting general relativism and quantum mechanics.

  12. Foundations of Physics, Vol . 29, No. 8, 1999 A Quantum Mechanical Supertask

    E-Print Network [OSTI]

    eceived J anuary 13, 1999 That quantum mechanical measurement processes are indeterministic is widely. Units are chosen so that h/2p = 1. #12;and is not equivalent to the integral form. The latter specifies the pathologies. The indeterminism arising here is not the indeterminism of the quantum measurement process

  13. A Study about the Supersymmetry in the context of Quantum Mechanics

    E-Print Network [OSTI]

    Fabricio Marques

    2011-11-04

    In this work we present an introduction to Supersymmetry in the context of 1-dimensional Quantum Mechanics. For that purpose we develop the concept of hamiltonians factorization using the simple harmonic oscillator as an example, we introduce the supersymmetric oscilator and, next, we generalize these concepts to introduce the fundamentals of Supersymmetric Quantum Mechanics. We also discuss useful tools to solve problems in Quantum Mechanics which are intrinsecally related to Supersymmetry as hierarchy of hamiltonians and shape invariance. We present two approximation methods which will be specially useful: the well known Variational Method and the Logarithmic Perturbation Theory, the latter being closely related to the concepts of superpotentials and hierarchy of hamiltonians. Finally, we present problems related to superpotentials which are monomials in even powers of the x coordinate multiplied by the sign function epsilon(x), which seems to be a new class of problems in Supersymmetric Quantum Mechanics.

  14. Physical properties as modal operators in the topos approach to quantum mechanics

    E-Print Network [OSTI]

    Hector Freytes; Graciela Domenech; Christian de Ronde

    2014-12-21

    In the framework of the topos approach to quantum mechanics we give a representation of physical properties in terms of modal operators on Heyting algebras. It allows us to introduce a classical type study of the mentioned properties.

  15. Correlation between measured and unmeasured quantities in quantum mechanics, locality, and the legitimacy of counterfactual reasoning

    E-Print Network [OSTI]

    Oliver Cohen

    2010-04-18

    A correlation measure relating to measured and unmeasured local quantities in quantum mechanics is introduced, and is then applied to assess the locality implications for Bell/CHSH and similar set-ups. This leads to some interesting results, and the scheme is extended to the generalized no-signalling boxes framework. Some questions are raised about the use of counterfactual reasoning in quantum mechanics.

  16. A note on Hilbert Space Representation of Quantum Mechanics with Minimal Length

    E-Print Network [OSTI]

    Amir Etemadi; Kourosh Nozari

    2014-12-11

    We study some fundamental issues related to the Hilbert space representation of quantum mechanics in the presence of a minimal length and maximal momentum. In this framework, the maximally localized states and quasi-position representation introduced by Kempf et al. are reconsidered and modified. We show that all studies in recent years, including [15] and [16] need serious modification in order to be a consistent framework for quantum mechanics in Planck scale.

  17. Generalization of Hamilton-Jacobi method and its consequences in classical, relativistic, and quantum mechanics

    E-Print Network [OSTI]

    O. Chavoya-Aceves

    2004-09-25

    The Hamilton-Jacobi method is generalized, both, in classical and relativistic mechanics. The implications in quantum mechanics are considered in the case of Klein-Gordon equation. We find that the wave functions of Klein-Gordon theory can be considered as describing the motion of an ensemble of particles that move under the action of the electromagnetic field alone, without quantum potentials, hidden uninterpreted variables, or zero point fields. The number of particles is not locally conserved.

  18. On the justification of applying quantum strategies to the Prisoners' Dilemma and mechanism design

    E-Print Network [OSTI]

    Haoyang Wu

    2010-07-08

    The Prisoners' Dilemma is perhaps the most famous model in the field of game theory. Consequently, it is natural to investigate its quantum version when one considers to apply quantum strategies to game theory. There are two main results in this paper: 1) The well-known Prisoners' Dilemma can be categorized into three types and only the third type is adaptable for quantum strategies. 2) As a reverse problem of game theory, mechanism design provides a better circumstance for quantum strategies than game theory does.

  19. Quantum Mechanics Studies of Fuel Cell Catalysts and Proton Conducting Ceramics

    E-Print Network [OSTI]

    Winfree, Erik

    Quantum Mechanics Studies of Fuel Cell Catalysts and Proton Conducting Ceramics with Validation) fuel-cell subgroup director, Dr. Boris. V Merinov, for his extensive help in progress discussion mechanics (QM) studies aimed at improving the performance of hydrogen fuel cells. This led to predictions

  20. Quantum mechanical aspects of friction and electric resistance in microscopic problems with applications to radiation physics

    E-Print Network [OSTI]

    Ulmer, W

    2015-01-01

    Friction incorporates the close connection between classical mechanics in irreversible thermodynamics. The translation to a quantum mechanical foundation is not trivial and requires a generalization of the Lagrange function. A change to electromagnetic circuits appears to more adequate, since the electric analogue (Ohms law) is related to scatter of electrons at lattice vibrations.

  1. Mesoscopic Mechanical Resonators as Quantum Non-Inertial Reference Frames

    E-Print Network [OSTI]

    B. N. Katz; M. P. Blencowe; K. C. Schwab

    2015-10-11

    An atom attached to a micrometer-scale wire that is vibrating at a frequency of 100 MHz and with displacement amplitude 1 nm experiences an acceleration magnitude 10^9 ms^-2, approaching the surface gravity of a neutron star. As one application of such extreme non-inertial forces in a mesoscopic setting, we consider a model two-path atom interferometer with one path consisting of the 100 MHz vibrating wire atom guide. The vibrating wire guide serves as a non-inertial reference frame and induces an in principle measurable phase shift in the wave function of an atom traversing the wire frame. We furthermore consider the effect on the two-path atom wave interference when the vibrating wire is modeled as a quantum object, hence functioning as a quantum non-inertial reference frame. We outline a possible realization of the vibrating wire, atom interferometer using a superfluid helium quantum interference setup.

  2. Some Remarks on an Experiment Suggesting Quantum Like Behavior of Cognitive Entities and Formulation of an Abstract Quantum Mechanical Formalism to Describe Cognitive Entity and its Dynamics

    E-Print Network [OSTI]

    Elio Conte; Orlando Todarello; Antonio Federici; Francesco Vitiello; Michele Lopane; Andrei Khrennikov; Joseph P. Zbilut

    2007-10-26

    We have executed for the first time an experiment on mental observables concluding that there exists equivalence (that is to say, quantum like behavior) between quantum and cognitive entities.Such result has enabled us to formulate an abstract quantum mechanical formalism that is able to describe cognitive entities and their time dynamics.

  3. Supporting random wave models: a quantum mechanical approach

    E-Print Network [OSTI]

    J. D. Urbina; K. Richter

    2003-04-23

    We show how two-point correlation functions derived within non-isotropic random wave models are in fact quantum results that are obtained in the appropriate limit in terms of the exact Green function of the quantum system. Since no statistical model is required for this derivation, this shows that taking the wave functions as Gaussian processes is the only assumption of those random wave models. We also show how for clean systems the two-point correlation function defined through an energy average defines a Gaussian theory which substantially reduces the spurious contributions coming from the normalisation problem.

  4. Introduction to non-equilibrium quantum statistical mechanics

    E-Print Network [OSTI]

    Jaksic, Vojkan

    . . . . . . . . . . . . . . . . . . . . . . . . . . . 6 3.2 NESS and entropy production . . . . . . . . . . . . . . . . . . . 10 3.3 Structural properties . . . . . . . . . . . . . . . . . . . . . . . . . 13 3.4 C -scattering and NESS . . . . . . . . . . . . . . . . . . . . . . 14 4 Open quantum systems will discuss the scattering theory of non-equilibrium steady states (NESS) (this topic has been only quickly

  5. On the (Non)Equivalence of the Schrödinger and Heisenberg Pictures of Quantum Mechanics

    E-Print Network [OSTI]

    Maurice A. de Gosson

    2014-04-27

    The aim of this short Note is to show that the Schr\\"odinger and Heisenberg pictures of quantum mechanics are not equivalent unless one uses a quantization rule clearly stated by Born and Jordan in their famous 1925 paper. This rule is sufficient and necessary to ensure energy conservation in Heisenberg's matrix mechanics. It follows, in particular, that Schr\\"odinger and Heisenberg mechanics are not equivalent if one quantizes observables using the Weyl prescription.

  6. Maximal quantum mechanical symmetry: Projective representations of the inhomogeneous symplectic group

    SciTech Connect (OSTI)

    Low, Stephen G. [Austin, Texas (United States)] [Austin, Texas (United States)

    2014-02-15

    A symmetry in quantum mechanics is described by the projective representations of a Lie symmetry group that transforms between physical quantum states such that the square of the modulus of the states is invariant. The Heisenberg commutation relations that are fundamental to quantum mechanics must be valid in all of these physical states. This paper shows that the maximal quantum symmetry group, whose projective representations preserve the Heisenberg commutation relations in this manner, is the inhomogeneous symplectic group. The projective representations are equivalent to the unitary representations of the central extension of the inhomogeneous symplectic group. This centrally extended group is the semidirect product of the cover of the symplectic group and the Weyl-Heisenberg group. Its unitary irreducible representations are computed explicitly using the Mackey representation theorems for semidirect product groups.

  7. Deformation quantization : quantum mechanics lives and works in phase-space.

    SciTech Connect (OSTI)

    Zachos, C.; High Energy Physics

    2002-01-30

    Wigner's quasi-probability distribution function in phase-space is a special (Weyl) representation of the density matrix. It has been useful in describing quantum transport in quantum optics; nuclear physics; decoherence (e.g. quantum computing); quantum chaos; 'Welcher Weg' discussions; semiclassical limits. It is also of importance in signal processing. Nevertheless, a remarkable aspect of its internal logic, pioneered by Moyal, has only emerged in the last quarter-century: It furnishes a third, alternative, formulation of Quantum Mechanics, independent of the conventional Hilbert Space, or Path Integral formulations. In this logically complete and self-standing formulation, one need not choose sides--coordinate or momentum space. It works in full phase-space, accommodating the uncertainty principle. This is an introductory overview of the formulation with simple illustrations.

  8. Deformation Quantization: Quantum Mechanic Lives and Works in Phase-Space

    SciTech Connect (OSTI)

    Zachos, Cosmas (Argonne National Laboratory) [Argonne National Laboratory

    2001-08-01

    Wigner's 1932 quasi-probability Distribution Function in phase-space is a special (Weyl) representation of the density matrix. It has been useful in describing quantum flows in: quantum optics; nuclear physics; decoherence (eg, quantum computing); quantum chaos; 'Welcher Weg' discussions; semiclassical limits. It is also of importance in signal processing. Nevertheless, a remarkable aspect of its internal logic, pioneered by the late Moyal, has only emerged in the last quarter-century: It furnishes a third, alternate, formulation of Quantum Mechanics, independent of the conventional Hilbert Space, or Path Integral formulations. It is logically complete and self-standing, and accommodates the uncertainty principle in an unexpected manner. Simple illustrations of this fact will be detailed.

  9. How to check quantum mechanics independently (Reply to arXiv:1505.04293)

    E-Print Network [OSTI]

    Yuri I. Ozhigov

    2015-06-17

    This is the reply to the paper of Andrei Khrennikov arXiv:1505.04293 in which he expresses dissatisfaction with that the rough data in quantum experiments is not easily available and compares it with the open rough data in genetics. I try to explain why quantum experiments rough data is closed and why it differs radically from the biological. I also tried to answer the more thorny issue: is it possible to check quantum mechanics independently of other humans, e.g. trusting nobody.

  10. Nuclear and Particle Physics applications of the Bohm Picture of Quantum Mechanics

    E-Print Network [OSTI]

    A. Miranda

    2009-01-09

    Approximation methods for calculating individual particle/ field motions in spacetime at the quantum level of accuracy (a key feature of the Bohm Picture of Quantum Mechanics (BP)), are studied. Modern textbook presentations of Quantum Theory are used throughout, but only to provide the necessary, already existing, tested formalisms and calculational techniques. New coherent insights, reinterpretations of old solutions and results, and new (in principle testable) quantitative and qualitative predictions, can be obtained on the basis of the BP that complete the standard type of postdictions and predictions.

  11. Supersymmetric Quantum Mechanics, Engineered Hierarchies of Integrable Potentials, and the Generalised Laguerre Polynomials

    E-Print Network [OSTI]

    Daddy Balondo Iyela; Jan Govaerts; M. Norbert Hounkonnou

    2012-09-02

    Within the context of Supersymmetric Quantum Mechanics and its related hierarchies of integrable quantum Hamiltonians and potentials, a general programme is outlined and applied to its first two simplest illustrations. Going beyond the usual restriction of shape invariance for intertwined potentials, it is suggested to require a similar relation for Hamiltonians in the hierarchy separated by an arbitrary number of levels, N. By requiring further that these two Hamiltonians be in fact identical up to an overall shift in energy, a periodic structure is installed in the hierarchy of quantum systems which should allow for its solution. Specific classes of orthogonal polynomials characteristic of such periodic hierarchies are thereby generated, while the methods of Supersymmetric Quantum Mechanics then lead to generalised Rodrigues formulae and recursion relations for such polynomials. The approach also offers the practical prospect of quantum modelling through the engineering of quantum potentials from experimental energy spectra. In this paper these ideas are presented and solved explicitly for the cases N=1 and N=2. The latter case is related to the generalised Laguerre polynomials, for which indeed new results are thereby obtained. At the same time new classes of integrable quantum potentials which generalise that of the harmonic oscillator and which are characterised by two arbitrary energy gaps are identified, for which a complete solution is achieved algebraically.

  12. Quantum Mechanical Corrections to Simulated Shock Hugoniot Temperatures

    SciTech Connect (OSTI)

    Goldman, N; Reed, E; Fried, L E

    2009-07-17

    The authors present a straightforward method for the inclusion of quantum nuclear vibrational effects in molecular dynamics calculations of shock Hugoniot temperatures. Using a grueneisen equation of state and a quasi-harmonic approximation to the vibrational energies, they derive a simple, post-processing method for calculation of the quantum corrected Hugoniot temperatures. They have used our novel technique on ab initio simulations of both shock compressed water and methane. Our results indicate significantly closer agreement with all available experimental temperature data for these two systems. Our formalism and technique can be easily applied to a number of different shock compressed molecular liquids or covalent solids, and has the potential to decrease the large uncertainties inherent in many experimental Hugoniot temperature measurements of these systems.

  13. Facile synthesis and photoluminescence mechanism of graphene quantum dots

    SciTech Connect (OSTI)

    Yang, Ping; Zhou, Ligang; Zhang, Shenli; Pan, Wei Shen, Wenzhong; Wan, Neng

    2014-12-28

    We report a facile hydrothermal synthesis of intrinsic fluorescent graphene quantum dots (GQDs) with two-dimensional morphology. This synthesis uses glucose, concentrate sulfuric acid, and deionized water as reagents. Concentrated sulfuric acid is found to play a key role in controlling the transformation of as-prepared hydrothermal products from amorphous carbon nanodots to well-crystallized GQDs. These GQDs show typical absorption characteristic for graphene, and have nearly excitation-independent ultraviolet and blue intrinsic emissions. Temperature-dependent PL measurements have demonstrated strong electron-electron scattering and electron-phonon interactions, suggesting a similar temperature behavior of GQDs to inorganic semiconductor quantum dots. According to optical studies, the ultraviolet emission is found to originate from the recombination of electron-hole pairs localized in the C=C bonds, while the blue emission is from the electron transition of sp{sup 2} domains.

  14. Generalized contexts and consistent histories in quantum mechanics

    SciTech Connect (OSTI)

    Losada, Marcelo; Laura, Roberto

    2014-05-15

    We analyze a restriction of the theory of consistent histories by imposing that a valid description of a physical system must include quantum histories which satisfy the consistency conditions for all states. We prove that these conditions are equivalent to imposing the compatibility conditions of our formalism of generalized contexts. Moreover, we show that the theory of consistent histories with the consistency conditions for all states and the formalism of generalized context are equally useful representing expressions which involve properties at different times.

  15. Emergent Semiclassical Time in Quantum Gravity. I. Mechanical Models

    E-Print Network [OSTI]

    Edward Anderson

    2007-11-04

    Strategies intended to resolve the problem of time in quantum gravity by means of emergent or hidden timefunctions are considered in the arena of relational particle toy models. In situations with `heavy' and `light' degrees of freedom, two notions of emergent semiclassical WKB time emerge; these are furthermore equivalent to two notions of emergent classical `Leibniz--Mach--Barbour' time. I futhermore study the semiclassical approach, in a geometric phase formalism, extended to include linear constraints, and with particular care to make explicit those approximations and assumptions used. I propose a new iterative scheme for this in the cosmologically-motivated case with one heavy degree of freedom. I find that the usual semiclassical quantum cosmology emergence of time comes hand in hand with the emergence of other qualitatively significant terms, including back-reactions on the heavy subsystem and second time derivatives. I illustrate my analysis by taking it further for relational particle models with linearly-coupled harmonic oscillator potentials. As these examples are exactly soluble by means outside the semiclassical approach, they are additionally useful for testing the justifiability of some of the approximations and assumptions habitually made in the semiclassical approach to quantum cosmology. Finally, I contrast the emergent semiclassical timefunction with its hidden dilational Euler time counterpart.

  16. On a Link between Classical Phenomenological Laws of Gases and Quantum Mechanics

    E-Print Network [OSTI]

    Yarman, Tolga; Korfali, Onder

    2008-01-01

    In this paper we find a connection between the macroscopic classical laws of gases and the quantum mechanical description of molecules, composing an ideal gas. In such a gas, the motion of each individual molecule can be considered independently on all other molecules, and thus the macroscopic parameters of ideal gas, like pressure P and temperature T, can be introduced as a result of simple averaging over all individual motions of molecules. It is shown that for an ideal gas enclosed in a macroscopic cubic box of volume V, the constant, in the classical law of adiabatic expansion, i.e.PV^5/3=const, can be derived, based on quantum mechanics. Physical implications of the result we disclose are discussed. In any case, our finding proves, seemingly for the first time, a macroscopic manifestation of a quantum mechanical behavior, and this in relation to classical thermodynamics.

  17. On a Link between Classical Phenomenological Laws of Gases and Quantum Mechanics

    E-Print Network [OSTI]

    Tolga Yarman; Alexander Kholmetskii; Onder Korfali

    2008-05-29

    In this paper we find a connection between the macroscopic classical laws of gases and the quantum mechanical description of molecules, composing an ideal gas. In such a gas, the motion of each individual molecule can be considered independently on all other molecules, and thus the macroscopic parameters of ideal gas, like pressure P and temperature T, can be introduced as a result of simple averaging over all individual motions of molecules. It is shown that for an ideal gas enclosed in a macroscopic cubic box of volume V, the constant, in the classical law of adiabatic expansion, i.e.PV^5/3=const, can be derived, based on quantum mechanics. Physical implications of the result we disclose are discussed. In any case, our finding proves, seemingly for the first time, a macroscopic manifestation of a quantum mechanical behavior, and this in relation to classical thermodynamics.

  18. Wigner Functions for Noncommutative Quantum Mechanics: a group representation based construction

    E-Print Network [OSTI]

    S. Hasibul Hassan Chowdhury; S. Twareque Ali

    2015-06-21

    This paper is devoted to the construction and analysis of the Wigner functions for noncommutative quantum mechanics, their marginal distributions and star-products, following a technique developed earlier, {\\it viz\\/,} using the unitary irreducible representations of the group $\\g$, which is the three fold central extension of the abelian group of $\\mathbb R^4$. These representations have been exhaustively studied in earlier papers. The group $\\g$ is identified with the kinematical symmetry group of noncommutative quantum mechanics of a system with two degrees of freedom. The Wigner functions studied here reflect different levels of non-commutativity -- both the operators of position and those of momentum not commuting, the position operators not commuting and finally, the case of standard quantum mechanics, obeying the canonical commutation relations only.

  19. 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.

  20. The repulsive nature of naked singularities from the point of view of Quantum Mechanics

    E-Print Network [OSTI]

    D. Batic; M. Nowakowski

    2010-05-10

    We use the Dirac equation coupled to a background metric to examine what happens to quantum mechanical observables like the probability density and the radial current in the vicinity of a naked singularity of the Reissner-Nordstr\\"{o}m type. We find that the wave function of the Dirac particle is regular in the point of the singularity. We show that the probability density is exactly zero at the singularity reflecting quantum-mechanically the repulsive nature of the naked singularity. Furthermore, the surface integral of the radial current over a sphere in the vicinity of the naked singularity turns out to be also zero.

  1. A closed formula for the barrier transmission coefficient in quaternionic quantum mechanics

    SciTech Connect (OSTI)

    De Leo, Stefano; Leonardi, Vinicius; Pereira, Kenia [Department of Applied Mathematics, State University of Campinas, SP 13083-970, Campinas (Brazil); Ducati, Gisele [CMCC, Federal University of ABC, SP 09210-170, Santo Andre (Brazil)

    2010-11-15

    In this paper, we analyze, by using a matrix approach, the dynamics of a nonrelativistic particle in presence of a quaternionic potential barrier. The matrix method used to solve the quaternionic Schroedinger equation allows us to obtain a closed formula for the transmission coefficient. Up to now, in quaternionic quantum mechanics, almost every discussion on the dynamics of nonrelativistic particle was motivated by or evolved from numerical studies. A closed formula for the transmission coefficient stimulates an analysis of qualitative differences between complex and quaternionic quantum mechanics and by using the stationary phase method, gives the possibility to discuss transmission times.

  2. Quantum-Mechanical Description of Spin-1/2 Particles and Nuclei Channeled in Bent Crystals

    E-Print Network [OSTI]

    Silenko, A J

    2015-01-01

    General quantum-mechanical description of relativistic particles and nuclei with spin 1/2 channeled in bent crystals is performed with the use of the cylindrical coordinate system. The previously derived Dirac equation in this system is added by terms characterizing anomalous magnetic and electric dipole moments. A transformation to the Foldy-Wouthuysen representation, a derivation of the quantum-mechanical equations of motion for particles and their spins, and a determination of classical limit of these equations are fulfilled in the general case. A physical nature of main peculiarities of description of particles and nuclei in the cylindrical coordinate system is ascertained.

  3. Quantum-Mechanical Description of Spin-1/2 Particles and Nuclei Channeled in Bent Crystals

    E-Print Network [OSTI]

    A. J. Silenko

    2015-08-02

    General quantum-mechanical description of relativistic particles and nuclei with spin 1/2 channeled in bent crystals is performed with the use of the cylindrical coordinate system. The previously derived Dirac equation in this system is added by terms characterizing anomalous magnetic and electric dipole moments. A transformation to the Foldy-Wouthuysen representation, a derivation of the quantum-mechanical equations of motion for particles and their spins, and a determination of classical limit of these equations are fulfilled in the general case. A physical nature of main peculiarities of description of particles and nuclei in the cylindrical coordinate system is ascertained.

  4. "Physical quantity" and " Physical reality" in Quantum Mechanics: an epistemological path

    E-Print Network [OSTI]

    David Vernette; Michele Caponigro

    2006-12-05

    We reconsider briefly the relation between "physical quantity" and "physical reality in the light of recent interpretations of Quantum Mechanics. We argue, that these interpretations are conditioned from the epistemological relation between these two fundamental concepts. In detail, the choice as ontic level of the concept affect, the relative interpretation. We note, for instance, that the informational view of quantum mechanics (primacy of the subjectivity) is due mainly to the evidence of the "random" physical quantities as ontic element. We will analyze four positions: Einstein, Rovelli, d'Espagnat and Zeilinger.

  5. Modelling Quantum Mechanics by the Quantumlike Description of the Electric Signal Propagation in Transmission Lines

    E-Print Network [OSTI]

    R. Fedele; M. A. Man'ko; V. I. Man'ko; V. G. Vaccaro

    2002-07-30

    It is shown that the transmission line technology can be suitably used for simulating quantum mechanics. Using manageable and at the same time non-expensive technology, several quantum mechanical problems can be simulated for significant tutorial purposes. The electric signal envelope propagation through the line is governed by a Schrodinger-like equation for a complex function, representing the low-frequency component of the signal, In this preliminary analysis, we consider two classical examples, i.e. the Frank-Condon principle and the Ramsauer effect.

  6. Quantum Mechanics with a Momentum-Space Artificial Magnetic Field

    E-Print Network [OSTI]

    Hannah M. Price; Tomoki Ozawa; Iacopo Carusotto

    2014-11-19

    The Berry curvature is a geometrical property of an energy band which acts as a momentum space magnetic field in the effective Hamiltonian describing single-particle quantum dynamics. We show how this perspective may be exploited to study systems directly relevant to ultracold gases and photonics. Given the exchanged roles of momentum and position, we demonstrate that the global topology of momentum space is crucially important. We propose an experiment to study the Harper-Hofstadter Hamiltonian with a harmonic trap that will illustrate the advantages of this approach and that will also constitute the first realization of magnetism on a torus.

  7. The radical-pair mechanism as a paradigm for the emerging science of quantum biology

    E-Print Network [OSTI]

    Kominis, I K

    2015-01-01

    The radical-pair mechanism was introduced in the 1960's to explain anomalously large EPR and NMR signals in chemical reactions of organic molecules. It has evolved to the cornerstone of spin chemistry, the study of the effect electron and nuclear spins have on chemical reactions, with the avian magnetic compass mechanism and the photosynthetic reaction center dynamics being prominent biophysical manifestations of such effects. In recent years the radical-pair mechanism was shown to be an ideal biological system where the conceptual tools of quantum information science can be fruitfully applied. We will here review recent work making the case that the radical-pair mechanism is indeed a major driving force of the emerging field of quantum biology.

  8. Experimental motivation and empirical consistency in minimal no-collapse quantum mechanics

    E-Print Network [OSTI]

    Maximilian Schlosshauer

    2006-01-15

    We analyze three important experimental domains (SQUIDs, molecular interferometry, and Bose-Einstein condensation) as well as quantum-biophysical studies of the neuronal apparatus to argue that (i) the universal validity of unitary dynamics and the superposition principle has been confirmed far into the mesoscopic and macroscopic realm in all experiments conducted thus far; (ii) all observed "restrictions" can be correctly and completely accounted for by taking into account environmental decoherence effects; (iii) no positive experimental evidence exists for physical state-vector collapse; (iv) the perception of single "outcomes" is likely to be explainable through decoherence effects in the neuronal apparatus. We also discuss recent progress in the understanding of the emergence of quantum probabilities and the objectification of observables. We conclude that it is not only viable, but moreover compelling to regard a minimal no-collapse quantum theory as a leading candidate for a physically motivated and empirically consistent interpretation of quantum mechanics.

  9. Branch dependence in the "consistent histories" approach to quantum mechanics

    E-Print Network [OSTI]

    Thomas Müller

    2006-11-12

    In the consistent histories formalism one specifies a family of histories as an exhaustive set of pairwise exclusive descriptions of the dynamics of a quantum system. We define branching families of histories, which strike a middle ground between the two available mathematically precise definitions of families of histories, viz., product families and Isham's history projector operator formalism. The former are too narrow for applications, and the latter's generality comes at a certain cost, barring an intuitive reading of the ``histories''. Branching families retain the intuitiveness of product families, they allow for the interpretation of a history's weight as a probability, and they allow one to distinguish two kinds of coarse-graining, leading to reconsidering the motivation for the consistency condition.

  10. Chemical dynamics in the gas phase: Time-dependent quantum mechanics of chemical reactions

    SciTech Connect (OSTI)

    Gray, S.K. [Argonne National Laboratory, IL (United States)

    1993-12-01

    A major goal of this research is to obtain an understanding of the molecular reaction dynamics of three and four atom chemical reactions using numerically accurate quantum dynamics. This work involves: (i) the development and/or improvement of accurate quantum mechanical methods for the calculation and analysis of the properties of chemical reactions (e.g., rate constants and product distributions), and (ii) the determination of accurate dynamical results for selected chemical systems, which allow one to compare directly with experiment, determine the reliability of the underlying potential energy surfaces, and test the validity of approximate theories. This research emphasizes the use of recently developed time-dependent quantum mechanical methods, i.e. wave packet methods.

  11. Quantum-Mechanical Consequences of Five-Dimensional Relativity

    E-Print Network [OSTI]

    Paul S. Wesson

    2011-05-13

    I outline a model where a massive particle in 4D spacetime follows a null (photon-like) path in 5D canonical (super-spherically-symmetric) space. This leads to wave-particle duality and quantization, along with other effects which show that it is possible to unify general relativity and wave mechanics in a simple fashion, given an extra dimension.

  12. Wronskian differential formula for confluent supersymmetric quantum mechanics

    E-Print Network [OSTI]

    David Bermudez; David J. Fernandez C.; Nicolas Fernandez-Garcia

    2011-12-14

    A Wronskian differential formula, useful for applying the confluent second-order SUSY transformations to arbitrary potentials, will be obtained. This expression involves a parametric derivative with respect to the factorization energy which, in many cases, is simpler for calculations than the previously found integral equation. This alternative mechanism shall be applied to the free particle and the single-gap Lame potential.

  13. A parametric approach to supersymmetric quantum mechanics in the solution of Schrödinger equation

    SciTech Connect (OSTI)

    Tezcan, Cevdet; Sever, Ramazan

    2014-03-15

    We study exact solutions of the Schrödinger equation for some potentials. We introduce a parametric approach to supersymmetric quantum mechanics to calculate energy eigenvalues and corresponding wave functions exactly. As an application we solve Schrödinger equation for the generalized Morse potential, modified Hulthen potential, deformed Rosen-Morse potential and Poschl-Teller potential. The method is simple and effective to get the results.

  14. Spin Path Integral And Quantum Mechanics In Rotating Reference of Frame

    E-Print Network [OSTI]

    Tong Chern; Wu Ning; Yu Yue

    2011-04-13

    We developed a path integral formalism for the quantum mechanics in a rotating reference of frame, and proposed a spin path integral description for the spin degrees of freedom in it. We have also give some examples for the applications of our foramlism.

  15. Quantum mechanical method of fragment's angular and energy distribution calculation for binary and ternary fission

    SciTech Connect (OSTI)

    Kadmensky, S. G., E-mail: kadmensky@phys.vsu.ru; Titova, L. V.; Pen'kov, N. V. [Voronezh State University (Russian Federation)

    2006-08-15

    In the framework of quantum-mechanical fission theory, the method of calculation for partial fission width amplitudes and asymptotic behavior of the fissile nucleus wave function with strong channel coupling taken into account has been suggested. The method allows one to solve the calculation problem of angular and energy distribution countation for binary and ternary fission.

  16. Thermal radiation in non-static curved spacetimes: quantum mechanical path integrals and configuration space topology

    E-Print Network [OSTI]

    M. E. Ortiz; F. Vendrell

    1998-06-19

    A quantum mechanical path integral derivation is given of a thermal propagator in non-static Gui spacetime. The thermal nature of the propagator is understood in terms of homotopically non-trivial paths in the configuration space appropriate to tortoise coordinates. The connection to thermal emission from collapsing black holes is discussed.

  17. Neutron Interferometry: Lessons in Experimental Quantum Mechanics Helmut Rauch and Samuel A. Werner

    E-Print Network [OSTI]

    Lynn, Jeffrey W.

    Neutron Interferometry: Lessons in Experimental Quantum Mechanics Helmut Rauch and Samuel A. Werner Today, 55, 52 (2002). The copious availability of thermalized neutrons makes them an ideal probe of choice for many fundamental physics investigations. A prime example is the field of neutron

  18. Assembling gas-phase reaction mechanisms for high temperature inorganic systems based on quantum chemistry calculations

    E-Print Network [OSTI]

    Swihart, Mark T.

    materials synthesis to propulsion to waste incineration, could in principle be modeled with equal or greater materials synthesis to propulsion to waste incineration, could in principle be modeled with equal or greaterAssembling gas-phase reaction mechanisms for high temperature inorganic systems based on quantum

  19. On the missing axiom of Quantum Mechanics Giacomo Mauro D'Ariano

    E-Print Network [OSTI]

    D'Ariano, Giacomo Mauro

    On the missing axiom of Quantum Mechanics Giacomo Mauro D'Ariano QUIT Group, Dipartimento di Fisica", the operational/epistemic archetype of information retrieval from reality. As we will see, this starting point, instrument, propensity (i.e. "effect"), dynamical and informational equivalence, dynamical and informational

  20. Non-Hermitian quantum mechanics: Wave packet propagation on autoionizing potential energy surfaces

    E-Print Network [OSTI]

    Moiseyev, Nimrod

    Non-Hermitian quantum mechanics: Wave packet propagation on autoionizing potential energy surfaces Technion, Israel Institute of Technology, Haifa 32000, Israel S. Scheit and L. S. Cederbaum Theoretische. An illustrative numerical example is presented involving three potential energy surfaces. © 2004 American

  1. PHYSICAL REVIEW A 81, 032107 (2010) Gauge invariance and reciprocity in quantum mechanics

    E-Print Network [OSTI]

    Leung, Pui-Tak "Peter"

    2010-01-01

    to the modern concept of particle interactions. The general concepts are of partiPHYSICAL REVIEW A 81, 032107 (2010) Gauge invariance and reciprocity in quantum mechanics P. T, Keelung, Taiwan 2 Department of Physics, The Chinese University of Hong Kong, Hong Kong, People's Republic

  2. 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.

  3. About a possible path towards the reverse engineering of quantum mechanics

    E-Print Network [OSTI]

    Alberto Ottolenghi

    2011-11-17

    An out of the box intellectual path exploring the foundations of quantum mechanics is discussed in some detail, in order to clarify why a possibly different way to look at the relevant fundamental questions can be identified and can support further research. Two key concepts arise. (1) Einstein critics to quantum mechanics could be taken seriously, but ironically, in order to really do so, one would have to take seriously also some of Lorentz critics to special relativity - both in a possibly more modern way; such interconnection possibly having been a blocking factor to openly discuss some of the cross implications of alternative views about quantum mechanics to date. (2) The probabilistic interpretation is a by-product of (a) quantum evolution equations, (b) conservation laws for the combination of measuring system and measured object and (c) persistency of calibration of the measuring system - as such there is no intellectual conflict whatsoever between hidden variables theories and probabilistic interpretation, provided we consider multicomponent hidden variable models and we allow for the existence of an underlying network. The implications of such concepts, in particular for the development of a microscopic quantisation program, are heuristically discussed or preliminarily explored.

  4. The clouds of physics and Einstein's last query: Can quantum mechanics be derived from general relativity?

    E-Print Network [OSTI]

    Friedwardt Winterberg

    2008-05-20

    Towards the end of the 19th century, Kelvin pronounced as the "clouds of physics" 1) the failure of the Michelson-Morely experiment to detect an ether wind, 2) the violation of the classical mechanical equipartition theorem in statistical thermodynamics. And he believed that the removal of these clouds would bring physics to an end. But as we know, the removal of these clouds led to the two great breakthoughts of modern physics: 1) The theory of relativity, and 2) to quantum mechanics. Towards the end of the 20th century more clouds of physics became apparent. They are 1) the riddle of quantum gravity, 2) the superluminal quantum correlations, 3) the small cosmological constant. Furthermore, there is the riddle of dark energy making up 70% of the physical universe, the non-baryonic cold dark matter making up 26% and the very small initial entropy of the universe. An attempt is made to explain the importance of these clouds for the future of physics. Conjectures for a possible solution are presented. they have to do with Einstein's last query: "Can quantum mechanics be derived general relativity", and with the question is there an ether?

  5. The Wonders of Supersymmetry: From Quantum Mechanics, Topology, and Noise, to (maybe) the LHC

    ScienceCinema (OSTI)

    Poppitz, Erich [University of Toronto, Toronto, Ontario, Canada

    2010-09-01

    Supersymmetry, relating bosons and fermions was discovered almost 40 years ago in string theory and in quantum field theory, but the seeds of its 'miraculous' properties could have been seen already in quantum mechanics - which is also where it has found some of its more important applications. This talk introduces supersymmetry via the supersymmetric anharmonic oscillator. We shall see that this seemingly trivial example is sufficiently rich, allowing us to illustrate the uses of supersymmetric concepts in a variety of fields: mathematics, elementary particle physics, critical phenomena, and stochastic dynamics.

  6. Vacuum fluctuations the clue for a realistic interpretation of quantum mechanics

    E-Print Network [OSTI]

    Emilio Santos

    2012-08-22

    Arguments are gived for the plausibility that quantum mechanics is a stochastic theory and that many quantum phenomena derive from the existence of a real noise consisting of vacuum fluctuations of all fundamental fields existing in nature. Planck's constant appears as the parameter fixing the scale of the fluctuations. Hints for an intuitive explanation are offered for some typical quantum features, like the uncertainty principle or the particle behaviour of fields. It is proposed that the recent discovery of dark energy in the universe is an argument for the reality of the vacuum fluctuations. A study is made of the compatibility of the model with the results of performed tests of Bell\\'{}s inequalities.

  7. Probabilistic Knowledge as Objective Knowledge in Quantum Mechanics: Potential Powers Instead of Actual Properties

    E-Print Network [OSTI]

    de Ronde, Christian

    2015-01-01

    In classical physics, probabilistic or statistical knowledge has been always related to ignorance or inaccurate subjective knowledge about an actual state of affairs. This idea has been extended to quantum mechanics through a completely incoherent interpretation of the Fermi-Dirac and Bose-Einstein statistics in terms of "strange" quantum particles. This interpretation, naturalized through a widespread "way of speaking" in the physics community, contradicts Born's physical account of {\\Psi} as a "probability wave" which provides statistical information about outcomes that, in fact, cannot be interpreted in terms of 'ignorance about an actual state of affairs'. In the present paper we discuss how the metaphysics of actuality has played an essential role in limiting the possibilities of understating things differently. We propose instead a metaphysical scheme in terms of powers with definite potentia which allows us to consider quantum probability in a new light, namely, as providing objective knowledge about a...

  8. Probabilistic Knowledge as Objective Knowledge in Quantum Mechanics: Potential Powers Instead of Actual Properties

    E-Print Network [OSTI]

    Christian de Ronde

    2015-06-24

    In classical physics, probabilistic or statistical knowledge has been always related to ignorance or inaccurate subjective knowledge about an actual state of affairs. This idea has been extended to quantum mechanics through a completely incoherent interpretation of the Fermi-Dirac and Bose-Einstein statistics in terms of "strange" quantum particles. This interpretation, naturalized through a widespread "way of speaking" in the physics community, contradicts Born's physical account of {\\Psi} as a "probability wave" which provides statistical information about outcomes that, in fact, cannot be interpreted in terms of 'ignorance about an actual state of affairs'. In the present paper we discuss how the metaphysics of actuality has played an essential role in limiting the possibilities of understating things differently. We propose instead a metaphysical scheme in terms of powers with definite potentia which allows us to consider quantum probability in a new light, namely, as providing objective knowledge about a potential state of affairs.

  9. 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.

  10. 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.

  11. Process, System, Causality, and Quantum Mechanics, A Psychoanalysis of Animal Faith

    E-Print Network [OSTI]

    H. Pierre Noyes; Tom Etter

    1998-08-06

    We shall argue in this paper that a central piece of modern physics does not really belong to physics at all but to elementary probability theory. Given a joint probability distribution J on a set of random variables containing x and y, define a link between x and y to be the condition x=y on J. Define the {\\it state} D of a link x=y as the joint probability distribution matrix on x and y without the link. The two core laws of quantum mechanics are the Born probability rule, and the unitary dynamical law whose best known form is the Schrodinger's equation. Von Neumann formulated these two laws in the language of Hilbert space as prob(P) = trace(PD) and D'T = TD respectively, where P is a projection, D and D' are (von Neumann) density matrices, and T is a unitary transformation. We'll see that if we regard link states as density matrices, the algebraic forms of these two core laws occur as completely general theorems about links. When we extend probability theory by allowing cases to count negatively, we find that the Hilbert space framework of quantum mechanics proper emerges from the assumption that all D's are symmetrical in rows and columns. On the other hand, Markovian systems emerge when we assume that one of every linked variable pair has a uniform probability distribution. By representing quantum and Markovian structure in this way, we see clearly both how they differ, and also how they can coexist in natural harmony with each other, as they must in quantum measurement, which we'll examine in some detail. Looking beyond quantum mechanics, we see how both structures have their special places in a much larger continuum of formal systems that we have yet to look for in nature.

  12. Free-fall in a uniform gravitational field in non-commutative quantum mechanics

    E-Print Network [OSTI]

    K. H. C. Castello-Branco; A. G. Martins

    2011-05-23

    We study the free-fall of a quantum particle in the context of noncommutative quantum mechanics (NCQM). Assuming noncommutativity of the canonical type between the coordinates of a two-dimensional configuration space, we consider a neutral particle trapped in a gravitational well and exactly solve the energy eigenvalue problem. By resorting to experimental data from the GRANIT experiment, in which the first energy levels of freely falling quantum ultracold neutrons were determined, we impose an upper-bound on the noncommutativity parameter. We also investigate the time of flight of a quantum particle moving in a uniform gravitational field in NCQM. This is related to the weak equivalence principle. As we consider stationary, energy eigenstates, i.e., delocalized states, the time of flight must be measured by a quantum clock, suitably coupled to the particle. By considering the clock as a small perturbation, we solve the (stationary) scattering problem associated and show that the time of flight is equal to the classical result, when the measurement is made far from the turning point. This result is interpreted as an extension of the equivalence principle to the realm of NCQM.

  13. Structure/Function Studies of Proteins Using Linear Scaling Quantum Mechanical Methodologies

    SciTech Connect (OSTI)

    Merz, K. M.

    2004-07-19

    We developed a linear-scaling semiempirical quantum mechanical (QM) program (DivCon). Using DivCon we can now routinely carry out calculations at the fully QM level on systems containing up to about 15 thousand atoms. We also implemented a Poisson-Boltzmann (PM) method into DivCon in order to compute solvation free energies and electrostatic properties of macromolecules in solution. This new suite of programs has allowed us to bring the power of quantum mechanics to bear on important biological problems associated with protein folding, drug design and enzyme catalysis. Hence, we have garnered insights into biological systems that have been heretofore impossible to obtain using classical simulation techniques.

  14. The formation mechanisms and optical characteristics of GaSb quantum rings

    SciTech Connect (OSTI)

    Lin, Wei-Hsun; Pao, Chun-Wei [Research Center for Applied Sciences, Academia Sinica, Taipei 11529, Taiwan (China)] [Research Center for Applied Sciences, Academia Sinica, Taipei 11529, Taiwan (China); Wang, Kai-Wei [College of Photonics, National Chiao-Tung University, Tainan 711, Taiwan (China)] [College of Photonics, National Chiao-Tung University, Tainan 711, Taiwan (China); Liao, Yu-An [Department of Electrophysics, National Chiao-Tung University, Hsinchu 300, Taiwan (China)] [Department of Electrophysics, National Chiao-Tung University, Hsinchu 300, Taiwan (China); Lin, Shih-Yen [Research Center for Applied Sciences, Academia Sinica, Taipei 11529, Taiwan (China) [Research Center for Applied Sciences, Academia Sinica, Taipei 11529, Taiwan (China); Department of Photonics, National Chiao-Tung University, Hsinchu 300, Taiwan (China); Graduate Institute of Electronics Engineering, National Taiwan University, Taipei 10617, Taiwan (China)

    2013-08-07

    The growth mechanisms and optical characteristics of GaSb quantum rings (QRs) are investigated. Although As-for-Sb exchange is the mechanism responsible for the dot-to-ring transition, significant height difference between GaSb quantum dots (QDs) and QRs in a dot/ring mixture sample suggests that the dot-to-ring transition is not a spontaneous procedure. Instead, it is a rapid transition procedure as long as it initiates. A model is established to explain this phenomenon. Larger ring inner diameters and heights of the sample with longer post Sb soaking time suggest that As-for-Sb exchange takes places in both vertical and lateral directions. The decreasing ring densities, enlarged ring inner/outer diameters and eventually flat GaSb surfaces observed with increasing growth temperatures are resulted from enhanced adatom migration and As-for-Sb exchange with increasing growth temperatures.

  15. Thermal-Light-Induced Coherent Dynamics in Atoms and Molecules -- an Exact Quantum Mechanical Treatment

    E-Print Network [OSTI]

    David Avisar; Asaf Eilam; A. D. Wilson-Gordon

    2015-05-01

    The question of whether sunlight induces coherent dynamics in biological systems is under debate. Here we show, on the basis of an exact fully quantum mechanical treatment, that thermal light induces excited-state coherences in matter similar to those induced by a coherent state. We demonstrate the phenomenon on a V-type model system and a two-state Born-Oppenheimer molecular system. Remarkably, wavepacket-like dynamics is induced in the excited molecular potential-energy surface.

  16. A quantum mechanical scheme to reduce radiation damage in electron microscopy

    E-Print Network [OSTI]

    Hiroshi Okamoto; Tatiana Latychevskaia; Hans-Werner Fink

    2015-06-24

    We show that radiation damage to unstained biological specimens is not an intractable problem in electron microscopy. When a structural hypothesis of a specimen is available, quantum mechanical principles allow us to verify the hypothesis with a very low electron dose. Realization of such a concept requires precise control of the electron wave front. Based on a diffractive electron optical implementation, we demonstrate the feasibility of this new method by both experimental and numerical investigations.

  17. A quantum mechanical scheme to reduce radiation damage in electron microscopy

    E-Print Network [OSTI]

    Okamoto, Hiroshi; Fink, Hans-Werner

    2015-01-01

    We show that radiation damage to unstained biological specimens is not an intractable problem in electron microscopy. When a structural hypothesis of a specimen is available, quantum mechanical principles allow us to verify the hypothesis with a very low electron dose. Realization of such a concept requires precise control of the electron wave front. Based on a diffractive electron optical implementation, we demonstrate the feasibility of this new method by both experimental and numerical investigations.

  18. QCD_{1+1} with Static Quarks as Supersymmetric Quantum Mechanics

    E-Print Network [OSTI]

    M. Seeger; M. Thies

    1998-02-09

    We reexamine the solvable model problem of two static, fundamental quarks interacting with a SU(2) Yang-Mills field on a spatial circle, introduced by Engelhardt and Schreiber. If the quarks are at the same point, the model exhibits a quantum mechanical supersymmetry. At finite separation, the supersymmetry is explicitly broken in a way which naturally explains the geometrical nature of spectrum and state vectors of this system.

  19. Canonical simulations of supersymmetric SU(N) Yang-Mills quantum mechanics

    E-Print Network [OSTI]

    Georg Bergner; Hang Liu; Urs Wenger

    2015-09-04

    The fermion loop formulation naturally separates partition functions into their canonical sectors. Here we discuss various strategies to make use of this for supersymmetric SU(N) Yang-Mills quantum mechanics obtained from dimensional reduction in various dimensions and present numerical results for the separate canonical sectors with fixed fermion numbers. We comment on potential problems due to the sign of the contributions from the fermions and due to flat directions.

  20. Quantum Mechanics and CPT tests with neutral kaons at the KLOE experiment

    E-Print Network [OSTI]

    Izabela Balwierz-Pytko

    2013-08-27

    Neutral kaons produced in the correlated pairs at the DAFNE phi-factory offer unique possibilities to perform fundamental tests of CPT invariance, as well as of the basic principles of quantum mechanics. The analysis of the data collected by the KLOE experiment allows to improve results on several parameters describing CPT violation and decoherence and to measure the regeneration cross section on the beam pipe materials.

  1. Learning of Atomic Physics and Quantum Mechanics : Which should Begin First

    E-Print Network [OSTI]

    Chen Qin; Zotin K. -H. Chu

    2009-11-27

    What are the differences and similarities between atomic-physics studies at different peoples (Han, Kazak and Uygur perples in the same university) across Xinjiang (a far-west district in PR China which is a border for previous USSR and Kazak)? In this short report we focus on issues relating to the learning style of different-people students to pass the atomic physics course in physics department even the quantum mechanics course has not been taken before.

  2. Canonical simulations of supersymmetric SU(N) Yang-Mills quantum mechanics

    E-Print Network [OSTI]

    Bergner, Georg; Wenger, Urs

    2015-01-01

    The fermion loop formulation naturally separates partition functions into their canonical sectors. Here we discuss various strategies to make use of this for supersymmetric SU(N) Yang-Mills quantum mechanics obtained from dimensional reduction in various dimensions and present numerical results for the separate canonical sectors with fixed fermion numbers. We comment on potential problems due to the sign of the contributions from the fermions and due to flat directions.

  3. General form of the covariant field equations of arbitrary spin and the relativistic canonical quantum mechanics

    E-Print Network [OSTI]

    Simulik, V M

    2015-01-01

    The investigation of arXiv 1409.2766v2 [quant-ph] has been continued by the general form of the numerous equations with partial values of arbitrary spin, which were considered in above mentioned preprint. The general forms of quantum-mechanical and covariant equations for arbitrary spin together with the general description of the arbitrary spin field formalism are presented. The corresponding relativistic quantum mechanics of arbitrary spin is given as the system of axioms. Previously ignored partial example of the spin s=(0,0) particle-antiparticle doublet is considered. The partial example of spin s=(3/2,3/2) particle-antiparticle doublet is highlighted. The new 64 dimensional Clifford--Dirac algebra over the field of real numbers is suggested. The general operator, which transformed the relativistic canonical quantum mechanics of arbitrary spin into the locally covariant field theory, has been introduced. Moreover, the study of the place of the results given in arXiv 1409.2766v2 [quant-ph] among the resul...

  4. Quantum corrected non-thermal radiation spectrum from the tunnelling mechanism

    E-Print Network [OSTI]

    Subenoy Chakraborty; Subhajit Saha; Christian Corda

    2015-05-28

    Tunnelling mechanism is today considered a popular and widely used method in describing Hawking radiation. However, in relation to black hole (BH) emission, this mechanism is mostly used to obtain the Hawking temperature by comparing the probability of emission of an outgoing particle with the Boltzmann factor. On the other hand, Banerjee and Majhi reformulated the tunnelling framework deriving a black body spectrum through the density matrix for the outgoing modes for both the Bose-Einstein distribution and the Fermi-Dirac distribution. In contrast, Parikh and Wilczek introduced a correction term performing an exact calculation of the action for a tunnelling spherically symmetric particle and, as a result, the probability of emission of an outgoing particle corresponds to a non-strictly thermal radiation spectrum. Recently, one of us (C. Corda) introduced a BH effective state and was able to obtain a non-strictly black body spectrum from the tunnelling mechanism corresponding to the probability of emission of an outgoing particle found by Parikh and Wilczek. The present work introduces the quantum corrected effective temperature and the corresponding quantum corrected effective metric is written using Hawking's periodicity arguments. Thus, we obtain further corrections to the non-strictly thermal BH radiation spectrum as the final distributions take into account both the BH dynamical geometry during the emission of the particle and the quantum corrections to the semiclassical Hawking temperature.

  5. Some Aspects of Quantum Mechanics of Particle Motion in Static Centrally Symmetric Gravitational Fields

    E-Print Network [OSTI]

    M. V. Gorbatenko; V. P. Neznamov; E. Yu. Popov

    2015-04-01

    The domain of wave functions and effective potentials of the Dirac and Klein-Gordon equations for quantum-mechanical particles in static centrally symmetric gravitational fields are analyzed by taking into account the Hilbert causality condition. For all the explored metrics, assuming existence of event horizons, the conditions of a "fall" of a particle to the appropriate event horizons are implemented. The exclusion is one of the solutions for the Reissner-Nordstroem extreme field with the single event horizon. In this case, while fulfilling the condition found by V.I.Dokuchaev, Yu.N.Yeroshenko, the normalization integral is convergent and the wave functions become zero on the event horizon. This corresponds to the Hilbert causality condition. In our paper, due to the analysis of the effective potential for the Reissner-Nordstroem extreme field with real radial wave functions of the Dirac equation, the impossibility is demonstrated for the bound stationary state existence of quantum-mechanical particles, with positive energy, off the event horizon. The analysis of the effective potential of the Dirac equation for the case of the naked singularity of the Reissner-Nordstroem field shown the possible existence of stationary bound states of quantum-mechanical half-spin particles.

  6. An ultra-low dissipation micro-oscillator for quantum opto-mechanics

    E-Print Network [OSTI]

    E. Serra; A. Borrielli; F. S. Cataliotti; F. Marin; F. Marino; A. Pontin; G. A. Prodi; M. Bonaldi

    2012-08-30

    Generating non-classical states of light by opto-mechanical coupling depends critically on the mechanical and optical properties of micro-oscillators and on the minimization of thermal noise. We present an oscillating micro-mirror with a mechanical quality factor Q = 2.6x10^6 at cryogenic temperature and a Finesse of 65000, obtained thanks to an innovative approach to the design and the control of mechanical dissipation. Already at 4 K with an input laser power of 2 mW, the radiation-pressure quantum fluctuations become the main noise source, overcoming thermal noise. This feature makes our devices particularly suitable for the production of pondero-motive squeezing.

  7. 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.

  8. Quantum mechanical path integrals and thermal radiation in static curved spacetimes

    E-Print Network [OSTI]

    F. Vendrell

    1999-06-03

    The propagator of a spinless particle is calculated from the quantum mechanical path integral formalism in static curved spacetimes endowed with event-horizons. A toy model, the Gui spacetime, and the 2D and 4D Schwarzschild black holes are considered. The role of the topology of the coordinates configuration space is emphasised in this framework. To cover entirely the above spacetimes with a single set of coordinates, tortoise coordinates are extended to complex values. It is shown that the homotopic properties of the complex tortoise configuration space imply the thermal behaviour of the propagator in these spacetimes. The propagator is calculated when end points are located in identical or distinct spacetime regions separated by one or several event-horizons. Quantum evolution through the event-horizons is shown to be unitary in the fifth variable.

  9. Retrocausal Effects as a Consequence of Quantum Mechanics Refined to Accommodate the Principle of Sufficient Reason

    SciTech Connect (OSTI)

    Stapp, Henry P.

    2011-05-10

    The principle of sufficient reason asserts that anything that happens does so for a reason: no definite state of affairs can come into being unless there is a sufficient reason why that particular thing should happen. This principle is usually attributed to Leibniz, although the first recorded Western philosopher to use it was Anaximander of Miletus. The demand that nature be rational, in the sense that it be compatible with the principle of sufficient reason, conflicts with a basic feature of contemporary orthodox physical theory, namely the notion that nature's response to the probing action of an observer is determined by pure chance, and hence on the basis of absolutely no reason at all. This appeal to pure chance can be deemed to have no rational fundamental place in reason-based Western science. It is argued here, on the basis of the other basic principles of quantum physics, that in a world that conforms to the principle of sufficient reason, the usual quantum statistical rules will naturally emerge at the pragmatic level, in cases where the reason behind nature's choice of response is unknown, but that the usual statistics can become biased in an empirically manifest way when the reason for the choice is empirically identifiable. It is shown here that if the statistical laws of quantum mechanics were to be biased in this way then the basically forward-in-time unfolding of empirical reality described by orthodox quantum mechanics would generate the appearances of backward-time-effects of the kind that have been reported in the scientific literature.

  10. On a motion equation for two particles in relativistic quantum mechanics

    E-Print Network [OSTI]

    Wilhelm I. Fushchych

    2002-06-21

    The purpose of the present note is to propose, in the framework of relativistic quantum mechanics, a new Poincare-invariant equation for two particles with masses m_1, m_2 and spin s_1=s_2=1/2. It is a first-order linear differential equation for the eight-component wave function. With the help of this equation the description of the motion of two-particle systems is reduced to the description of one-particle systems in the (1+6)-dimensional Minkowski space which can be in two spin states (s=0 or s=1).

  11. Quantum mechanics forbids an initial or final singularity in a closed FRW universe

    E-Print Network [OSTI]

    T. R. Mongan

    1999-03-07

    The existence of singularities in a closed FRW universe depends on the assumption that general relativity is valid for distances less than the Planck length. However, stationary state wave functions of the Schrodinger equation for a closed radiation-dominated FRW universe derived by Elbaz et al (General Relativity and Gravitation 29, 481, 1997) are zero at zero radius of curvature. Thus, even if general relativity is assumed valid at distances less than the Planck length, quantum mechanics seems to forbid singularities in a closed FRW universe.

  12. Decomposition and Oxidation of the N-Extended Supersymmetric Quantum Mechanics Multiplets

    E-Print Network [OSTI]

    Kuznetsova, Zhanna

    2007-01-01

    We furnish an algebraic understanding of the inequivalent connectivities (computed up to $N\\leq 10$) of the graphs associated to the irreducible supermultiplets of the N-extended Supersymmetric Quantum Mechanics. We prove that the inequivalent connectivities of the N=5 and N=9 irreducible supermultiplets are due to inequivalent decompositions into two sets of N=4 (respectively, N=8) supermultiplets. "Oxido-reduction" diagrams linking the irreducible supermultiplets of the N=5,6,7,8 supersymmetries are presented. We briefly discuss these results and their possible applications.

  13. Decomposition and Oxidation of the N-Extended Supersymmetric Quantum Mechanics Multiplets

    E-Print Network [OSTI]

    Zhanna Kuznetsova; Francesco Toppan

    2007-12-19

    We furnish an algebraic understanding of the inequivalent connectivities (computed up to $N\\leq 10$) of the graphs associated to the irreducible supermultiplets of the N-extended Supersymmetric Quantum Mechanics. We prove that the inequivalent connectivities of the N=5 and N=9 irreducible supermultiplets are due to inequivalent decompositions into two sets of N=4 (respectively, N=8) supermultiplets. "Oxido-reduction" diagrams linking the irreducible supermultiplets of the N=5,6,7,8 supersymmetries are presented. We briefly discuss these results and their possible applications.

  14. Quantum mechanical scattering on time-dependent potentials using nonequilibrium Green's functions

    E-Print Network [OSTI]

    Peter Foldi

    2015-05-13

    Time-dependent nonequilibrium Green's functions (TDNEGF) are shown to provide a flexible, effective tool for the description of quantum mechanical single particle scattering on a spatially localized, time-dependent potential. Focusing on numerical methods, arbitrary space and time dependence of the potential can be treated, provided it is zero before an initial time instant. In this case, appropriate version of the Dyson and Keldysh equations lead to a transparent description with clear physical interpretation. The interaction of a short laser pulse and an electron propagating initially in free space is discussed as an example.

  15. Finding way to bridge the gap between quantum and classical mechanics

    E-Print Network [OSTI]

    Wang Guowen

    2005-12-12

    We have calculated the momentum distributions of nanoparticles in diffraction and interference dependent on the effective screening mass parameter or size parameter and presented the calculations for a nanoparticle inside an infinite square potential well and for a tunnelling nanoparticle through a square potential barrier. These results display the transition from quantum to classical mechanics and the simultaneous wave-particle duality of nanoparticles. The concept that the effective screening effect increases with increasing size of an object paves way for development of nanomechanics and nanotechnology.

  16. 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.

  17. Noncommutative quantum mechanics of simple matter systems interacting with circularly polarized gravitational waves

    E-Print Network [OSTI]

    Sunandan Gangopadhyay; Anirban Saha; Swarup Saha

    2014-09-11

    The response of a test particle, both for the free case and under the harmonic oscillator potential, to circularly polarized gravitational waves is investigated in a noncommutative quantum mechanical setting. The system is quantized following the prescription in \\cite{ncgw1}. Standard algebraic techniques are then employed to solve the Hamiltonian of the system. The solutions, in both cases, show signatures of the coordinate noncommutativity. In the harmonic oscillator case, this signature plays a key role in altering the resonance point and the oscillation frequency of the system.

  18. Interaction mechanisms of near-surface quantum wells with oxidized and H-passivated AlGaAs surfaces

    E-Print Network [OSTI]

    Presilla, Carlo

    the tunneling barrier, extending into the well; (iv) hydrogenation efficiently passivates electron trapping September 1993; accepted for publication 25 January 1994) The tunneling mechanism of electrons and holes-consistent quantum-mechanical approach. 1. INTRODUCTION The tunneling of electrons and holes to surface states (SS

  19. A periodic orbit analysis of the vibrationally highly excited LiNC/LiCN: A comparison with quantum mechanics

    E-Print Network [OSTI]

    Guantes, Raúl

    mechanical calculations, avail- able mainly for the low energy vibrational levels. Now, the LiA periodic orbit analysis of the vibrationally highly excited LiNC/LiCN: A comparison with quantum mechanics R. Prosmiti and S. C. Farantos Institute of Electronic Structure and Laser, Foundation

  20. Phase Space Quantum Mechanics on the Anti-De Sitter Spacetime and its Poincaré Contraction

    E-Print Network [OSTI]

    A. M. El Gradechi; S. De Bièvre

    1992-10-26

    In this work we propose an alternative description of the quantum mechanics of a massive and spinning free particle in anti-de~Sitter spacetime, using a phase space rather than a spacetime representation. The regularizing character of the curvature appears clearly in connection with a notion of localization in phase space which is shown to disappear in the zero curvature limit. We show in particular how the anti-de~Sitter optimally localized (coherent) states contract to plane waves as the curvature goes to zero. In the first part we give a detailed description of the classical theory {\\it \\a la Souriau\\/}. This serves as a basis for the quantum theory which is constructed in the second part using methods of geometric quantization. The invariant positive K\\"ahler polarization that selects the anti-de~Sitter quantum elementary system is shown to have as zero curvature limit the Poincar\\'e polarization which is no longer K\\"ahler. This phenomenon is then related to the disappearance of the notion of localization in the zero curvature limit.

  1. Quantum mechanical force field for hydrogen fluoride with explicit electronic polarization

    SciTech Connect (OSTI)

    Mazack, Michael J. M.; Gao, Jiali

    2014-05-28

    The explicit polarization (X-Pol) theory is a fragment-based quantum chemical method that explicitly models the internal electronic polarization and intermolecular interactions of a chemical system. X-Pol theory provides a framework to construct a quantum mechanical force field, which we have extended to liquid hydrogen fluoride (HF) in this work. The parameterization, called XPHF, is built upon the same formalism introduced for the XP3P model of liquid water, which is based on the polarized molecular orbital (PMO) semiempirical quantum chemistry method and the dipole-preserving polarization consistent point charge model. We introduce a fluorine parameter set for PMO, and find good agreement for various gas-phase results of small HF clusters compared to experiments and ab initio calculations at the M06-2X/MG3S level of theory. In addition, the XPHF model shows reasonable agreement with experiments for a variety of structural and thermodynamic properties in the liquid state, including radial distribution functions, interaction energies, diffusion coefficients, and densities at various state points.

  2. Nonlinear quantum-mechanical system associated with Sine-Gordon equation in (1 + 2) dimensions

    SciTech Connect (OSTI)

    Zarmi, Yair, E-mail: zarmi@bgu.ac.il [Jacob Blaustein Institutes for Desert Research, Ben-Gurion University of the Negev, Midreshet Ben-Gurion, 8499000 (Israel)

    2014-10-15

    Despite the fact that it is not integrable, the (1 + 2)-dimensional Sine-Gordon equation has N-soliton solutions, whose velocities are lower than the speed of light (c = 1), for all N ? 1. Based on these solutions, a quantum-mechanical system is constructed over a Fock space of particles. The coordinate of each particle is an angle around the unit circle. U, a nonlinear functional of the particle number-operators, which obeys the Sine-Gordon equation in (1 + 2) dimensions, is constructed. Its eigenvalues on N-particle states in the Fock space are the slower-than-light, N-soliton solutions of the equation. A projection operator (a nonlinear functional of U), which vanishes on the single-particle subspace, is a mass-density generator. Its eigenvalues on multi-particle states play the role of the mass density of structures that emulate free, spatially extended, relativistic particles. The simplicity of the quantum-mechanical system allows for the incorporation of perturbations with particle interactions, which have the capacity to “annihilate” and “create” solitons – an effect that does not have an analog in perturbed classical nonlinear evolution equations.

  3. Vacuum Fluctuation (1): the Same Basis of the Relativity and the Quantum Mechanics

    E-Print Network [OSTI]

    Xing-Hao Ye

    2007-11-09

    The aim of this paper is to reveal the deep relationship between matter and vacuum, and to seek for the same physical basis of the relativity and the quantum mechanics. In doing this, three postulates of vacuum fluctuation are proposed first, the basic premises of the relativity and the quantum mechanics including the velocity limit, the energy-frequency relation and the de Broglie wavelength expression of any matter particles are deduced then. As applications, the idea is used to analyze the Compton effect and the electron-positron annihilation. It is found that the calculation becomes simple, and the physical meaning gets clear. The simplicity comes from the power of the three postulates. To illustrate this, the basic conclusions of the special theory of relativity such as the relations of mass-velocity, mass-energy, energy-momentum, time dilation and length contraction are further deduced. In addition, the significance of the investigation of vacuum fluctuation in the unification of the physical theories is pointed out.

  4. On the Mean-Field and Classical Limits of Quantum Mechanics

    E-Print Network [OSTI]

    François Golse; Clément Mouhot; Thierry Paul

    2015-08-10

    The main result in this paper is a new inequality bearing on solutions of the $N$-body linear Schr\\"{o}dinger equation and of the mean field Hartree equation. This inequality implies that the mean field limit of the quantum mechanics of $N$ identical particles is uniform in the classical limit and provides a quantitative estimate of the quality of the approximation. This result applies to the case of $C^{1,1}$ interaction potentials. The quantity measuring the approximation of the $N$-body quantum dynamics by its mean field limit is analogous to the Monge-Kantorovich (or Wasserstein) distance with exponent $2$. The inequality satisfied by this quantity is reminiscent of the work of Dobrushin on the mean field limit in classical mechanics [Func. Anal. Appl. 13 (1979), 115-123]. Our approach of this problem is based on a direct analysis of the $N$-particle Liouville equation, and avoids using techniques based on the BBGKY hierarchy or on second quantization.

  5. Quantum Mechanical Inclusion of the Source in the Aharonov-Bohm Effect

    E-Print Network [OSTI]

    Philip Pearle; Anthony Rizzi

    2015-06-30

    The standard treatment of the magnetic Aharonov-Bohm (A-B) effect assumes one can calculate the phase without accounting for the source (solenoid) quantum mechanically. Recently, Vaidman, using a semi-classical calculation, showed that the source may indeed matter. He argued for what might be called a local field hypothesis---the idea that in quantum theory, as in classical physics, only field-producing potentials have physical effects. His calculation indicates that the electron's non-relativistic electric field, acting on a semi-classically treated solenoid, produces the A-B phase shift. Here, employing a model of the solenoid consisting of charged particles, we give a quantum mechanical treatment of their contribution to the phase shift under the influence of the circulating electron's electric field. We show that the phase shift of the field-producing non-relativistic vector potential gives the A-B phase shift, and how this confirms Vaidman's semi-classical prediction of that phase shift. However, we also show that the phase shift of the field-producing relativistic (retarded) scalar potential gives the negative of the A-B phase shift. This cancellation allows one to effectively treat the source as a classical entity as is done in the standard derivation of the A-B effect. We close by remarking that the apparent necessity for relativistic considerations suggests the possibility that the A-B phase shift may yet be explained in terms of field-producing potentials alone, which may vindicate the local field hypothesis.

  6. 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.

  7. Quantum/Classical Mechanical Comparison of Cation-Interactions between Tetramethylammonium and Benzene

    E-Print Network [OSTI]

    Sussman, Joel L.

    and Benzene Clifford Felder, Hua-Liang Jiang,,§,|, Wei-Liang Zhu,§,| Kai-Xian Chen,§ Israel Silman, Simone A-methyl groups with a benzene ring, by use of density-functional theory (DFT) methods B3LYP/6-31G* and B3LYP/6 profiles of the complex as benzene was moved away from TMA in 0.2 Å intervals. Hence it is possible to use

  8. Mechanically Detecting and Avoiding the Quantum Fluctuations of a Microwave Field

    E-Print Network [OSTI]

    theme in physics has been about the untapped power and benefits of quantum phenomena, largely stemming, called the Standard Quantum Limit (SQL)[9] is not ben- eficial: back-action due to the quantum nature

  9. Hybrid Quantum Mechanics/Molecular Mechanics-Based Molecular Dynamics Simulation of Acid-Catalyzed Dehydration of Polyols in Liquid Water

    SciTech Connect (OSTI)

    Caratzoulas, Stavros; Courtney, Timothy; Vlachos, Dionisios G.

    2011-01-01

    We use the conversion of protonated glycerol to acrolein for a case study of the mechanism of acid-catalyzed dehydration of polyols in aqueous environments. We employ hybrid Quamtum Mechanics/Molecular Mechanics Molecular Dynamics (QM/MM MD) simulations with biased sampling and perform free energy calculations for the elementary steps of the reaction. We investigate the effects of solvent dynamics and in particular the role of quantum mechanical water in the dehydration mechanism. We present results supporting a mechanism that proceeds via water-mediated proton transfers and thus through an enol intermediate. We find that the first dehydration may take place by two, low-energy pathways requiring, respectively, 20.9 and 18.8 kcal/mol of activation free energy. The second dehydration requires 19.9 kcal/mol of activation free energy while for the overall reaction we compute a free energy change of -8 kcal/mol.

  10. 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.

  11. Natural star-products on symplectic manifolds and related quantum mechanical operators

    SciTech Connect (OSTI)

    B?aszak, Maciej, E-mail: blaszakm@amu.edu.pl; Doma?ski, Ziemowit, E-mail: ziemowit@amu.edu.pl

    2014-05-15

    In this paper is considered a problem of defining natural star-products on symplectic manifolds, admissible for quantization of classical Hamiltonian systems. First, a construction of a star-product on a cotangent bundle to an Euclidean configuration space is given with the use of a sequence of pair-wise commuting vector fields. The connection with a covariant representation of such a star-product is also presented. Then, an extension of the construction to symplectic manifolds over flat and non-flat pseudo-Riemannian configuration spaces is discussed. Finally, a coordinate free construction of related quantum mechanical operators from Hilbert space over respective configuration space is presented. -- Highlights: •Invariant representations of natural star-products on symplectic manifolds are considered. •Star-products induced by flat and non-flat connections are investigated. •Operator representations in Hilbert space of considered star-algebras are constructed.

  12. A quantum mechanical model for the relationship between stock price and stock ownership

    SciTech Connect (OSTI)

    Cotfas, Liviu-Adrian [Faculty of Economic Cybernetics, Statistics and Informatics, Academy of Economic Studies, 6 Piata Romana, 010374 Bucharest (Romania)

    2012-11-01

    The trade of a fixed stock can be regarded as the basic process that measures its momentary price. The stock price is exactly known only at the time of sale when the stock is between traders, that is, only in the case when the owner is unknown. We show that the stock price can be better described by a function indicating at any moment of time the probabilities for the possible values of price if a transaction takes place. This more general description contains partial information on the stock price, but it also contains partial information on the stock owner. By following the analogy with quantum mechanics, we assume that the time evolution of the function describing the stock price can be described by a Schroedinger type equation.

  13. Quantum-mechanical calculation of carrier distribution in MOS accumulation and strong inversion layers

    SciTech Connect (OSTI)

    Lee, Chien-Wei; Hwu, Jenn-Gwo [Graduate Institute of Electronics Engineering/ Department of Electrical Engineering, National Taiwan University, Taipei, 10617, Taiwan (China)] [Graduate Institute of Electronics Engineering/ Department of Electrical Engineering, National Taiwan University, Taipei, 10617, Taiwan (China)

    2013-10-15

    We derive a statistical physics model of two-dimensional electron gas (2DEG) and propose an accurate approximation method for calculating the quantum-mechanical effects of metal-oxide-semiconductor (MOS) structure in accumulation and strong inversion regions. We use an exponential surface potential approximation in solving the quantization energy levels and derive the function of density of states in 2D to 3D transition region by applying uncertainty principle and Schrödinger equation in k-space. The simulation results show that our approximation method and theory of density of states solve the two major problems of previous researches: the non-negligible error caused by the linear potential approximation and the inconsistency of density of states and carrier distribution in 2D to 3D transition region.

  14. Quantum Mechanics of Insitu Synthesis of Inorganic Nanoparticles with in Anionic Microgels

    E-Print Network [OSTI]

    Mirza Wasif Baig; Muhammad Siddiq

    2013-05-28

    In this work, we discuss the quantum mechanics of many-body systems i.e. hybrid microgel consisting of negatively charged anionic microgels possessing thick sheath of water molecules solvating its protruding anionic moieties and nanoparticle captivated with in it. Thermodynamic feasibility of synthesis of particular nanoparticle with in the microgel is dependent upon the magnitude of interaction between nanoparticle, water molecules and microgel relative to sum of magnitude of self-interaction between counterions and interaction between counterions and microgel. Nanoparticles synthesized with in the microgels have thick electronic cloud that oscillates under the influence of net interaction potential of charged anionic moieties and solvent water molecules. Hamiltonian describing energy of oscillating electronic cloud wrapped around nanoparticle is mathematically derived to be equal to product of integral of electron density and its position vector overall space multiplied with net electric force acting on the oscillating electronic cloud of nanoparticle.

  15. 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...

  16. Bound states for multiple Dirac-? wells in space-fractional quantum mechanics

    SciTech Connect (OSTI)

    Tare, Jeffrey D. Esguerra, Jose Perico H.

    2014-01-15

    Using the momentum-space approach, we obtain bound states for multiple Dirac-? wells in the framework of space-fractional quantum mechanics. Introducing first an attractive Dirac-comb potential, i.e., Dirac comb with strength ?g (g > 0), in the space-fractional Schrödinger equation we show that the problem of obtaining eigenenergies of a system with N Dirac-? wells can be reduced to a problem of obtaining the eigenvalues of an N × N matrix. As an illustration we use the present matrix formulation to derive expressions satisfied by the bound-state energies of N = 1, 2, 3 delta wells. We also obtain the corresponding wave functions and express them in terms of Fox's H-function.

  17. Application of supersymmetric quantum mechanics to study bound state properties of exotic hypernuclei

    E-Print Network [OSTI]

    Khan, Md Abdul

    2015-01-01

    Bound state properties of few single and double-$\\Lambda$ hypernuclei is critically examined in the framework of core-$\\Lambda$ and core+$\\Lambda+\\Lambda$ few-body model applying hyperspherical harmonics expansion method (HHEM). The $\\Lambda\\Lambda$ potential is chosen phenomenologically while the core-$\\Lambda$ potential is obtained by folding a phenomenological $\\Lambda N$ interaction into the density distribution of the core. The depth of the effective $\\Lambda N$ potential is adjusted to reproduce the experimental data for the core-$\\Lambda$ subsystem. The three-body Schr\\"odinger equation is solved by hyperspherical adiabatic approximation (HAA) to get the ground state energy and wave function. The ground state wavefunction is used to construct the supersymmetric partner potential following prescription of supersymmetric quantum mechanics (SSQM) algebra. The newly constructed supersymmetric partner potential is used to solve the three-body Schr\\"odinger equation to get the energy and wavefunction for the...

  18. Solutions to position-dependent mass quantum mechanics for a new class of hyperbolic potentials

    SciTech Connect (OSTI)

    Christiansen, H. R.; Grupo de Física Teórica, State University of Ceara , Av. Paranjana 1700, 60740-903 Fortaleza-CE ; Cunha, M. S.

    2013-12-15

    We analytically solve the position-dependent mass (PDM) 1D Schrödinger equation for a new class of hyperbolic potentials V{sub q}{sup p}(x)=?V{sub 0}(sinh{sup p}x/cosh{sup q}x),?p=?2,0,?q?[see C. A. Downing, J. Math. Phys. 54, 072101 (2013)] among several hyperbolic single- and double-wells. For a solitonic mass distribution, m(x)=m{sub 0}?sech{sup 2}(x), we obtain exact analytic solutions to the resulting differential equations. For several members of the class, the quantum mechanical problems map into confluent Heun differential equations. The PDM Poschl-Teller potential is considered and exactly solved as a particular case.

  19. The Quantum Mechanics Problem of the Schroedinger Equation with the Trigonometric Rosen-Morse Potential

    E-Print Network [OSTI]

    C. B. Compean; M. Kirchbach

    2006-03-26

    We present the quantum mechanics problem of the one-dimensional Schroedinger equation with the trigonometric Rosen-Morse potential. This potential is of possible interest to quark physics in so far as it captures the essentials of the QCD quark-gluon dynamics and (i) interpolates between a Coulomb-like potential (associated with one-gluon exchange) and the infinite wall potential (associated with asymptotic freedom), (ii) reproduces in the intermediary region the linear confinement potential (associated with multi-gluon self-interactions) as established by lattice QCD calculations of hadron properties. Moreover, its exact real solutions given here display a new class of real orthogonal polynomials and thereby interesting mathematical entities in their own.

  20. Numerical investigations of Supersymmetric Yang-Mills Quantum Mechanics with 4 supercharges

    E-Print Network [OSTI]

    Zbigniew Ambrozinski; Piotr Korcyl

    2014-12-01

    We report on our non-perturbative investigations of supersymmetric Yang-Mills quantum mechanics with 4 supercharges. We employ two independent numerical methods. First of them is the cut Fock space method whose numerical implementation was recently generalized to include the SU(N) gauge group. It allowed us to calculate for the first time the spectrum of the model with SU(3) symmetry in all fermionic sectors. Independently, we implemented the Rational Hybrid Monte Carlo algorithm and reproduced the accessible part of the low-energy spectrum of the model with SU(2) gauge symmetry. We argue that by simulating at imaginary chemical potential one can get access to observables defined in sectors of Hilbert space with a given quark number.

  1. A quantum mechanical model for the relationship between stock price and stock ownership

    E-Print Network [OSTI]

    Liviu-Adrian Cotfas

    2012-09-05

    The trade of a fixed stock can be regarded as the basic process that measures its momentary price. The stock price is exactly known only at the time of sale when the stock is between traders, that is, only in the case when the owner is unknown. We show that the stock price can be better described by a function indicating at any moment of time the probabilities for the possible values of price if a transaction takes place. This more general description contains partial information on the stock price, but it also contains partial information on the stock owner. By following the analogy with quantum mechanics, we assume that the time evolution of the function describing the stock price can be described by a Schrodinger type equation.

  2. A quantitative quantum-chemical analysis tool for the distribution of mechanical force in molecules

    SciTech Connect (OSTI)

    Stauch, Tim; Dreuw, Andreas

    2014-04-07

    The promising field of mechanochemistry suffers from a general lack of understanding of the distribution and propagation of force in a stretched molecule, which limits its applicability up to the present day. In this article, we introduce the JEDI (Judgement of Energy DIstribution) analysis, which is the first quantum chemical method that provides a quantitative understanding of the distribution of mechanical stress energy among all degrees of freedom in a molecule. The method is carried out on the basis of static or dynamic calculations under the influence of an external force and makes use of a Hessian matrix in redundant internal coordinates (bond lengths, bond angles, and dihedral angles), so that all relevant degrees of freedom of a molecule are included and mechanochemical processes can be interpreted in a chemically intuitive way. The JEDI method is characterized by its modest computational effort, with the calculation of the Hessian being the rate-determining step, and delivers, except for the harmonic approximation, exact ab initio results. We apply the JEDI analysis to several example molecules in both static quantum chemical calculations and Born-Oppenheimer Molecular Dynamics simulations in which molecules are subject to an external force, thus studying not only the distribution and the propagation of strain in mechanically deformed systems, but also gaining valuable insights into the mechanochemically induced isomerization of trans-3,4-dimethylcyclobutene to trans,trans-2,4-hexadiene. The JEDI analysis can potentially be used in the discussion of sonochemical reactions, molecular motors, mechanophores, and photoswitches as well as in the development of molecular force probes.

  3. Multiscale modeling of beryllium: quantum mechanics and laser-driven shock experiments using novel diagnostics.

    SciTech Connect (OSTI)

    Swift, D. C.; Paisley, Dennis L.; Kyrala, George A.; Hauer, Allan

    2002-01-01

    Ab initio quantum mechanics was used to construct a thermodynamically complete and rigorous equation of state for beryllium in the hexagonal and body-centred cubic structures, and to predict elastic constants as a function of compression. The equation of state agreed well with Hugoniot data and previously-published equations of state, but the temperatures were significantly different. The hexagonal/bcc phase boundary agreed reasonably well with published data, suggesting that the temperatures in our new equation of state were accurate. Shock waves were induced in single crystals and polycrystalline foils of beryllium, by direct illumination using the TRIDENT laser at Los Alamos. The velocity history at the surface of the sample was measured using a line-imaging VISAR, and transient X-ray diffraction (TXD) records were obtained with a plasma backlighter and X-ray streak cameras. The VISAR records exhibited elastic precursors, plastic waves, phase changes and spall. Dual TXD records were taken, in Bragg and Laue orientations. The Bragg lines moved in response to compression in the uniaxial direction. Because direct laser drive was used, the results had to be interpreted with the aid of radiation hydrodynamics simulations to predict the loading history for each laser pulse. In the experiments where there was evidence of polymorphism in the VISAR record, additional lines appeared in the Bragg and Laue records. The corresponding pressures were consistent with the phase boundary predicted by the quantum mechanical equation of state for beryllium. A model of the response of a single crystal of beryllium to shock loading is being developed using these new theoretical and experimental results. This model will be used in meso-scale studies of the response of the microstructure, allowing us to develop a more accurate representation of the behaviour of polycrystalline beryllium.

  4. An experimental test of the non-classicality of quantum mechanics using an unmovable and indivisible system

    E-Print Network [OSTI]

    Xi Kong; Mingjun Shi; Fazhan Shi; Pengfei Wang; Pu Huang; Qi Zhang; Chenyong Ju; Changkui Duan; Sixia Yu; Jiangfeng Du

    2012-10-03

    Quantum mechanics provides a statistical description about nature, and thus would be incomplete if its statistical predictions could not be accounted for by some realistic models with hidden variables. There are, however, two powerful theorems against the hidden-variable theories showing that certain quantum features cannot be reproduced based on two rationale premises of locality, Bell's theorem, and noncontextuality, due to Bell, Kochen and Specker (BKS). Noncontextuality is independent of nonlocality, and the contextuality manifests itself even in a single object. Here we report an experimental verification of quantum contextuality by a single spin-1 electron system at room temperature. Such a three-level system is indivisible and then we close the compatibility loophole which exists in the experiments performed on bipartite systems. Our results confirm the quantum contextuality to be the intrinsic property of single particles.

  5. PHYS 445 Supplement -Quick and dirty quantum mechanics S -1 2001 by David Boal, Simon Fraser University. All rights reserved; further resale or copying is strictly prohibited.

    E-Print Network [OSTI]

    Boal, David

    PHYS 445 Supplement - Quick and dirty quantum mechanics S - 1 © 2001 by David Boal, Simon Fraser University. All rights reserved; further resale or copying is strictly prohibited. Supplement - Quick;PHYS 445 Supplement - Quick and dirty quantum mechanics S - 2 © 2001 by David Boal, Simon Fraser

  6. Moving Frames in Quantum Mechanics Many-body systems may have a ground state that breaks spontaneously a symmetry. In

    E-Print Network [OSTI]

    Kurchan, Jorge

    Heisenberg model in a finite lattice: the system orients in some direction, but, since the size is finite frame to the particle system. In order to solve this problem, together with my Thesis advisor D. Bes1 Moving Frames in Quantum Mechanics Many-body systems may have a ground state that breaks

  7. Quantum-Mechanical Description of the Electromagnetic Interaction of Relativistic Particles with Electric and Magnetic Dipole Moments

    E-Print Network [OSTI]

    A. J. Silenko

    2006-02-03

    The Hamiltonian of relativistic particles with electric and magnetic dipole moments that interact with an electromagnetic field is determined in the Foldy-Wouthuysen representation. Transition to the semiclassical approximation is carried out. The quantum-mechanical and semiclassical equations of spin motion are derived.

  8. Quantum Mechanical Energy-Based Screening of Combinatorially Generated Library of Tautomers. TauTGen: A Tautomer Generator Program

    E-Print Network [OSTI]

    Simons, Jack

    Quantum Mechanical Energy-Based Screening of Combinatorially Generated Library of Tautomers. TauTGen: A Tautomer Generator Program Maciej Haran´czyk, and Maciej Gutowski*,,,§ Department of Chemistry, University of finding low-energy tautomers of a molecule. The procedure consists of (i) combinatorial generation

  9. Calculation of the electron two slit experiment using a quantum mechanical variational principle

    SciTech Connect (OSTI)

    Harrison, Alan K. [Los Alamos National Laboratory

    2012-04-17

    A nonlocal relativistic variational principle (VP) has recently been proposed as an alternative to the Dirac wave equation of standard quantum mechanics. We apply that principle to the electron two-slit experiment. The detection system is modelled as a screen made of atoms, any one of which can be excited by the incident electron, but we avoid restricting the detection mechanism further. The VP is shown to predict that, at the time the electron reaches the screen, its wavefunction will be localized to the neighborhood of a single atom, resulting in a position-type measurement. In an ensemble of such experiments ('identically prepared' except that the initial phase of the wavefunction - the hidden variable in the VP formulation - is sampled over the expected uniform distribution), the distribution of measured positions will reproduce the interference pattern predicted by the Dirac equation. We also demonstrate that with a detection system designed fundamentally to detect the electron's transverse wavelength rather than its position, the VP predicts that one such mode will be detected, that is, a wavelength measurement will result. Finally, it is shown that these results are unchanged in the 'delayed choice' variant of the experiment.

  10. 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...

  11. Mechanical Behaviors of Alloys From First Principles

    E-Print Network [OSTI]

    Hanlumyuang, Yuranan

    2011-01-01

    Some Backgrounds on The Quantum Mechanical Stresses . . .3.2.2 The Quantum Mechanical Stresses and The Generalized3.2.3 Quantum-Mechanical

  12. 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.

  13. REVISTA MEXICANA DE FISICA S 53 (2) 103109 FEBRERO 2007 Gamow vectors and Supersymmetric Quantum Mechanics

    E-Print Network [OSTI]

    Rosas-Ortiz, Jose Oscar

    REVISTA MEXICANA DE F´ISICA S 53 (2) 103­109 FEBRERO 2007 Gamow vectors and Supersymmetric Quantum

  14. Bohmian Mechanics

    E-Print Network [OSTI]

    Detlef Duerr; Sheldon Goldstein; Roderich Tumulka; Nino Zanghi

    2009-03-15

    Bohmian mechanics is a theory about point particles moving along trajectories. It has the property that in a world governed by Bohmian mechanics, observers see the same statistics for experimental results as predicted by quantum mechanics. Bohmian mechanics thus provides an explanation of quantum mechanics. Moreover, the Bohmian trajectories are defined in a non-conspiratorial way by a few simple laws.

  15. The Hatsopoulos-Gyftopoulos resolution of the Schroedinger-Park paradox about the concept of "state" in quantum statistical mechanics

    E-Print Network [OSTI]

    Gian Paolo Beretta

    2006-10-16

    A seldom recognized fundamental difficulty undermines the concept of individual ``state'' in the present formulations of quantum statistical mechanics (and in its quantum information theory interpretation as well). The difficulty is an unavoidable consequence of an almost forgotten corollary proved by E. Schroedinger in 1936 and perused by J.L. Park, Am. J. Phys., Vol. 36, 211 (1968). To resolve it, we must either reject as unsound the concept of state, or else undertake a serious reformulation of quantum theory and the role of statistics. We restate the difficulty and discuss a possible resolution proposed in 1976 by G.N. Hatsopoulos and E.P. Gyftopoulos, Found. Phys., Vol. 6, 15, 127, 439, 561 (1976).

  16. The effect of giving explicit incentives to correct mistakes on subsequent problem solving in quantum mechanics

    E-Print Network [OSTI]

    Brown, Benjamin; Singh, Chandralekha

    2015-01-01

    One attribute of experts is that they are likely to learn from their own mistakes. Experts are unlikely to make the same mistakes when asked to solve a problem a second time, especially if they had access to a correct solution. Here, we discuss a study spanning several years in which advanced undergraduate physics students in a quantum mechanics course were given incentives to correct their mistakes in the midterm exam and they could get back up to 50% of the points lost on each midterm exam problem. The solutions to the midterm exam problems were provided to all students in both groups but those who corrected their mistakes were provided the solution after they submitted their corrections to the instructor. The performance on the final exam on the same problems suggests that students who were given incentives to correct their mistakes significantly outperformed those who were not given an incentive. The incentive to correct mistakes had the greatest impact on the final exam performance of students who perfor...

  17. 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.

  18. One World, One Reality, and the Everett Relaltive State Interpretation of Quantum Mechanics

    E-Print Network [OSTI]

    Paul L. Csonka

    2009-05-06

    We modify the Relative State Interpretation (RSI) of Quantum Mechanics so that it does not imply many worlds and parallel realities. We drop the assumption that probability amplitudes correspond one-to-one with reality: Not all information is contained in amplitudes, and not all amplitudes need be realized. Amplitudes do not "collapse" after a measurement, but evolve continuously, including unrealized ones. After each "event" only one possible outcome is realized. Therefore, if a value is measured, that value is real, all others are not; there is only one reality and one world. Reality content is "quantized" : unity for realized outcomes, zero for all others. It is "conserved": can move along any possible sequence of events, but only one at a time. The modified RSI is is strictly deterministic in the sense that the "global" probability amplitudes of the universe are determined for all times by the laws of physics and the initial conditions. They guide all events. But it is not deterministic in the sense that from the amplitudes one can not predict which outcome actually happens; that represents new information that accumulates as history unfolds. To the extent that information is part of the physical world, the coming into being of the universe is ongoing, even after the Big Bang. All predictions of the two versions agree, except possibly in esoteric, untested cases.

  19. Kratzer's molecular potential in quantum mechanics with a generalized uncertainty principle

    E-Print Network [OSTI]

    Djamil Bouaziz

    2015-03-07

    The Kratzer's potential $V(r)=g_{1}/r^{2}-g_{2}/r$ is studied in quantum mechanics with a generalized uncertainty principle, which includes a minimal length $\\left( \\Delta X\\right) _{\\min}=\\hbar\\sqrt{5\\beta}$. In momentum representation, the Schr\\"{o}dinger equation is a generalized Heun's differential equation, which reduces to a hypergeometric and to a Heun's equations in special cases. We explicitly show that the presence of this finite length regularizes the potential in the range of the coupling constant $g_{1}$ where the corresponding Hamiltonian is not self-adjoint. In coordinate space, we perturbatively derive an analytical expression for the bound states spectrum in the first order of the deformation parameter $\\beta$. We qualitatively discuss the effect of the minimal length on the vibration-rotation energy levels of diatomic molecules, through the Kratzer interaction. By comparison with an experimental result of the hydrogen molecule, an upper bound for the minimal length is found to be of about $0.01$ \\AA . We argue that the minimal length would have some physical importance in studying the spectra of such systems

  20. Semiclassical energy formulas for power-law and log potentials in quantum mechanics

    E-Print Network [OSTI]

    Richard L. Hall; Qutaibeh D. Katatbeh

    2003-05-09

    We study a single particle which obeys non-relativistic quantum mechanics in R^N and has Hamiltonian H = -Delta + V(r), where V(r) = sgn(q)r^q. If N \\geq 2, then q > -2, and if N = 1, then q > -1. The discrete eigenvalues E_{n\\ell} may be represented exactly by the semiclassical expression E_{n\\ell}(q) = min_{r>0}\\{P_{n\\ell}(q)^2/r^2+ V(r)}. The case q = 0 corresponds to V(r) = ln(r). By writing one power as a smooth transformation of another, and using envelope theory, it has earlier been proved that the P_{n\\ell}(q) functions are monotone increasing. Recent refinements to the comparison theorem of QM in which comparison potentials can cross over, allow us to prove for n = 1 that Q(q)=Z(q)P(q) is monotone increasing, even though the factor Z(q)=(1+q/N)^{1/q} is monotone decreasing. Thus P(q) cannot increase too slowly. This result yields some sharper estimates for power-potential eigenvlaues at the bottom of each angular-momentum subspace.

  1. Density Matrix in Quantum Mechanics and Distinctness of Ensembles Having the Same Compressed Density Matrix

    E-Print Network [OSTI]

    Gui Lu Long; Yi-Fan Zhou; Jia-Qi Jin; Yang Sun; Hai-Woong Lee

    2006-04-20

    We clarify different definitions of the density matrix by proposing the use of different names, the full density matrix for a single-closed quantum system, the compressed density matrix for the averaged single molecule state from an ensemble of molecules, and the reduced density matrix for a part of an entangled quantum system, respectively. We show that ensembles with the same compressed density matrix can be physically distinguished by observing fluctuations of various observables. This is in contrast to a general belief that ensembles with the same compressed density matrix are identical. Explicit expression for the fluctuation of an observable in a specified ensemble is given. We have discussed the nature of nuclear magnetic resonance quantum computing. We show that the conclusion that there is no quantum entanglement in the current nuclear magnetic resonance quantum computing experiment is based on the unjustified belief that ensembles having the same compressed density matrix are identical physically. Related issues in quantum communication are also discussed.

  2. Quantum dynamics of two-optical modes and a single mechanical mode optomechanical system: selective energy exchange

    E-Print Network [OSTI]

    Neha Aggarwal; Aranya B Bhattacherjee

    2013-02-06

    We study the quantum dynamics of an optomechanical setup comprising two optical modes and one mechanical mode. We show that the same system can undergo a Dicke-Hepp-Lieb superradiant type phase transition. We found that the coupling between the momentum quadratures of the two optical fields give rise to a new critical point. We show that selective energy exchange between any two modes is possible by coherent control of the coupling parameters. In addition we also demonstrate the occurrence of Normal Mode Splitting (NMS) in the mechanical displacement spectrum.

  3. Quantum Mechanical Relations for the Energy, Momentum and Velocity of Single Photons in Dispersive Media

    E-Print Network [OSTI]

    Robert J. Buenker; Pedro L. Muino

    2006-07-11

    Attempts to explain the refraction of light in dispersive media in terms of a photon or "corpuscular" model have heretofore been unable to account for the observed decrease in the speed of light as it passes from air into a region of higher refractive index n such as water or glass. In the present work it is argued on the basis of the quantum mechanical relations p = k and E = h omega that the energy of photons satisfies the equation E = pc/n. It is possible to obtain an exact prediction of the observed speed of the photons in a given medium by application of Hamilton's equations of motion to the above formula, but at the same time to conclude, in agreement with the arguments of Newton and other classical physicists, that the photon momentum increases in direct proportion to n, thereby producing the well-known bending of light rays toward the normal when entering water from air. The corresponding relativistic particle theory of light indicates that the potential V encountered by the photons in a given medium is attractive for n > 1 and is momentum-dependent, which suggests the microscopic interactions responsible for the refraction of light are non-Coulombic in nature and are instead akin to the spin-orbit and orbit-orbit terms in the Breit-Pauli Hamiltonian for electrons moving in an external field. The present theory concludes that the reason photons are slowed down upon entering water from air is that their relativistic mass p/v increases faster with n than does their momentum, which in turn requires that Einstein's famous E = mc^2 formula does not hold for light dispersion because the energy of the photons is expected to be the same in both media.

  4. New version of quantum mechanics at finite temperatures as a ground for description of nearly perfect fluids

    E-Print Network [OSTI]

    A. D. Sukhanov; O. N. Golubjeva

    2010-12-22

    We suggest a more general than quantum statistical mechanics ($QSM$) microdescription of objects in a heat bath taken into account a vacuum as an object environment - modification of quantum mechanics at finite temperatures; we call it $(\\hbar, k)$-dynamics ($ \\hbar kD$). This approach allows us in a new manner to calculate some important macroparameters and to modify standard thermodynamics. We create an effective apparatus for features description of nearly perfect fluids in various mediums. As an essentially new model of an object environment we suppose a quantum heat bath and its properties, including cases of cold and warm vacuums, are studied. We describe the thermal equilibrium state in place of the traditional density operator in term of a wave function the amplitude and phase of which have temperature dependence. We introduce a new generative operator, Schroedingerian, or stochastic action operator, and show its fundamental role in the microdescription. We demonstrate that a new macroparameter, namely the effective action, can be obtained through averaging of the Schroedingerian over the temperature dependent wave function. It is established that such different parameters as internal energy, effective temperature, and effective entropy and their fluctuations can be expressed through a single quantity - the effective action.

  5. 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.

  6. Efficiency loss mechanisms in colloidal quantum-dot light-emitting diodes

    E-Print Network [OSTI]

    Shirasaki, Yasuhiro

    2013-01-01

    Saturated and tunable emission colors make colloidal quantum-dot light-emitting diodes (QD-LEDs) interesting for the next generation of display and lighting technologies. However, there still remain various hurdles to the ...

  7. Exact and approximate dynamics of the quantum mechanical O(N...

    Office of Scientific and Technical Information (OSTI)

    conditions consistent with O(N) symmetry, one of them a quantum roll, the other a wave packet initially to one side of the potential minimum, whose center has all coordinates...

  8. Wave-Particle Duality Revitalized: Consequences, Applications and Relativistic Quantum Mechanics

    E-Print Network [OSTI]

    Himanshu Chauhan; Swati Rawal; R. K. Sinha

    2011-10-19

    The proposed paper presents the unobserved inadequacies in de Broglie's concepts of wave-particle duality and matter waves in the year 1923. The commonly admitted quantum energy or frequency expression h{\

  9. 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...

  10. Short-time asymptotics of a rigorous path integral for N = 1 supersymmetric quantum mechanics on a Riemannian manifold

    SciTech Connect (OSTI)

    Fine, Dana S.; Sawin, Stephen

    2014-06-15

    Following Feynman's prescription for constructing a path integral representation of the propagator of a quantum theory, a short-time approximation to the propagator for imaginary-time, N = 1 supersymmetric quantum mechanics on a compact, even-dimensional Riemannian manifold is constructed. The path integral is interpreted as the limit of products, determined by a partition of a finite time interval, of this approximate propagator. The limit under refinements of the partition is shown to converge uniformly to the heat kernel for the Laplace-de Rham operator on forms. A version of the steepest descent approximation to the path integral is obtained, and shown to give the expected short-time behavior of the supertrace of the heat kernel.

  11. Influences of quantum mechanically mixed electronic and vibrational pigment states in 2D electronic spectra of photosynthetic systems: Strong electronic coupling cases

    E-Print Network [OSTI]

    Fujihashi, Yuta; Ishizaki, Akihito

    2015-01-01

    In 2D electronic spectroscopy studies, long-lived quantum beats have recently been observed in photosynthetic systems, and it has been suggested that the beats are produced by quantum mechanically mixed electronic and vibrational states. Concerning the electronic-vibrational quantum mixtures, the impact of protein-induced fluctuations was examined by calculating the 2D electronic spectra of a weakly coupled dimer with vibrational modes in the resonant condition [J. Chem. Phys. 142, 212403 (2015)]. This analysis demonstrated that quantum mixtures of the vibronic resonance are rather robust under the influence of the fluctuations at cryogenic temperatures, whereas the mixtures are eradicated by the fluctuations at physiological temperatures. However, this conclusion cannot be generalized because the magnitude of the coupling inducing the quantum mixtures is proportional to the inter-pigment coupling. In this study, we explore the impact of the fluctuations on electronic-vibrational quantum mixtures in a strongl...

  12. Quantum Mechanical Calculations of Charge Effects on gating the KcsA channel

    SciTech Connect (OSTI)

    Kariev, Alisher M.; Znamenskiy, Vasiliy S.; Green, Michael E.

    2007-02-06

    The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. A series of ab initio (density functional) calculations were carried out on side chains of a set of amino acids, plus water, from the (intracellular) gating region of the KcsA K+ channel. Their atomic coordinates, except hydrogen, are known from X-ray structures [D.A. Doyle, J.M. Cabral, R.A. Pfuetzner, A. Kuo, J.M. Gulbis, S.L. Cohen, B.T. Chait, R. MacKinnon, The structure of the potassium channel: molecular basis of K+ conduction and selectivity, Science 280 (1998) 69–77; R. MacKinnon, S.L. Cohen, A. Kuo, A. Lee, B.T. Chait, Structural conservation in prokaryotic and eukaryotic potassium channels, Science 280 (1998) 106–109; Y. Jiang, A. Lee, J. Chen, M. Cadene, B.T. Chait, R. MacKinnon, The open pore conformation of potassium channels. Nature 417 (2001) 523–526], as are the coordinates of some water oxygen atoms. The 1k4c structure is used for the starting coordinates. Quantum mechanical optimization, in spite of the starting configuration, places the atoms in positions much closer to the 1j95, more tightly closed, configuration. This state shows four water molecules forming a “basket” under the Q119 side chains, blocking the channel. When a hydrated K+ approaches this “basket”, the optimized system shows a strong set of hydrogen bonds with the K+ at defined positions, preventing further approach of the K+ to the basket. This optimized structure with hydrated K+ added shows an ice-like 12 molecule nanocrystal of water. If the water molecules exchange, unless they do it as a group, the channel will remain blocked. The “basket” itself appears to be very stable, although it is possible that the K+ with its hydrating water molecules may be more mobile, capable of withdrawing from the gate. It is also not surprising that water essentially freezes, or forms a kind of glue, in a nanometer space; this agrees with experimental results on a rather different, but similarly sized (nm dimensions) system [K.B. Jinesh, J.W.M. Frenken, Capillary condensation in atomic scale friction: how water acts like a glue, Phys. Rev. Lett. 96 (2006) 166103/1–4].

  13. Simulation of quantum-mechanical supersymmetry in a Cooper-pair box shunted by a Josephson rhombus

    E-Print Network [OSTI]

    Jascha Ulrich; Daniel Otten; Fabian Hassler

    2015-03-13

    Supersymmetries in quantum mechanics offer a way to obtain degeneracies in the excitation spectrum which do not originate from selection rules. The mechanism behind the degeneracies is the same as the one that leads to the miraculous cancellations of divergences in supersymmetric field theories found in the high energy physics context. Even though of importance, there is up to now no realistic proposal of non-integrable systems that show level degeneracies due to a supersymmetric structure. Here, we propose an implementation of a quantum-mechanical supersymmetry in a Cooper-pair box shunted by a Josephson junction rhombus which is effectively $\\pi$-periodic in the superconducting phase difference. For a characteristic ratio between the strength of the $2\\pi$- and the $\\pi$-periodic junction, we find a two-fold degeneracy of all the energy levels all the way from the weak junction/charge qubit limit to the strong junction/transmon regime. We provide explicit values for the parameters of the rhombus and show that tuning in and out of the supersymmetric point is easily achieved by varying an external gate voltage. We furthermore discuss a microwave experiment to detect the supersymmetry and conclude that it could indeed be simulated with currently existing Josephson junction technology.

  14. Quantum mechanics on spaces of nonconstant curvature: The oscillator problem and superintegrability

    SciTech Connect (OSTI)

    Ballesteros, Angel, E-mail: angelb@ubu.es [Departamento de Fisica, Universidad de Burgos, 09001 Burgos (Spain); Enciso, Alberto, E-mail: aenciso@fis.ucm.es [Departamento de Fisica Teorica II, Universidad Complutense, 28040 Madrid (Spain); Herranz, Francisco J., E-mail: fjherranz@ubu.es [Departamento de Fisica, Universidad de Burgos, 09001 Burgos (Spain); Ragnisco, Orlando, E-mail: ragnisco@fis.uniroma3.it [Dipartimento di Fisica, Universita di Roma Tre and Istituto Nazionale di Fisica Nucleare sezione di Roma Tre, Via Vasca Navale 84, 00146 Roma (Italy); Riglioni, Danilo, E-mail: riglioni@fis.uniroma3.it [Dipartimento di Fisica, Universita di Roma Tre and Istituto Nazionale di Fisica Nucleare sezione di Roma Tre, Via Vasca Navale 84, 00146 Roma (Italy)

    2011-08-15

    Highlights: > Quantization of Hamiltonians on spaces of nonconstant curvature is addressed. > Our approach is based on superintegrability requirements. > The procedure is applied to a nonlinear classical superintegrable oscillator. > Schroedinger, Laplace-Beltrami and PDM quantizations are worked out. > The quantum system is solved by obtaining the spectrum and the eigenfunctions. - Abstract: The full spectrum and eigenfunctions of the quantum version of a nonlinear oscillator defined on an N-dimensional space with nonconstant curvature are rigorously found. Since the underlying curved space generates a position-dependent kinetic energy, three different quantization prescriptions are worked out by imposing that the maximal superintegrability of the system has to be preserved after quantization. The relationships among these three Schroedinger problems are described in detail through appropriate similarity transformations. These three approaches are used to illustrate different features of the quantization problem on N-dimensional curved spaces or, alternatively, of position-dependent mass quantum Hamiltonians. This quantum oscillator is, to the best of our knowledge, the first example of a maximally superintegrable quantum system on an N-dimensional space with nonconstant curvature.

  15. A Graph Model for the quantum mechanics of a moving cyclic disturbance interacting at a spatial position

    E-Print Network [OSTI]

    Daniel Brown

    2006-03-24

    An analysis is made of a moving disturbance using a directed cyclic graph. A statistical approach is used to calculate the alternative positions in space and state of the disturbance with a defined observed time. The probability for a freely moving entity interacting in a particular spatial position is calculated and a formulation is derived for the minimum locus of uncertainty in position and momentum. This is found to accord with calculations for quantum mechanics. The model has proven amenable to computer modelling; a copy of the "SimulTime" program is available on request.

  16. The third, use of quantum mechanics to evaluate the molecular energy and forces, holds promise for future refinements when applied wholesale,

    E-Print Network [OSTI]

    Sali, Andrej

    The third, use of quantum mechanics to evaluate the molecular energy and forces, holds promise for future refinements when applied wholesale, but is already capable of producing valuable insight when applied to struc- tural detail. Calculation of macromolecular energy and forces with quan- tum mechanics

  17. Protein/Ligand Binding Free Energies Calculated with Quantum Mechanics/Molecular Frauke Gra1ter,, Sonja M. Schwarzl,, Annick Dejaegere,| Stefan Fischer,*, and

    E-Print Network [OSTI]

    Gräter, Frauke

    Protein/Ligand Binding Free Energies Calculated with Quantum Mechanics/Molecular Mechanics Frauke of the complexes are predicted (the "docking" problem) as well as in how the free energy is calculated from)solvation during the binding process.3 Typically, binding free energies calculated with these methods have average

  18. Probing the quantum phase transition in the Dicke model through mechanical vibrations

    E-Print Network [OSTI]

    J. P. Santos; K. Furuya; F. L. Semião

    2011-03-04

    This paper is concerned with quantum dynamics of a system coupled to a critical reservoir. In this context, we employ the Dicke model which is known to exhibit a super radiant quantum phase transition (QPT) and we allow one of the mirrors to move under a linear restoring force. The electromagnetic field couples to the movable mirror though radiation pressure just like in typical optomechanical setups. We show that, in the thermodynamical limit, the super-radiant phase induces a classical driving force on the mirror without causing decoherence.

  19. 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.

  20. An efficient atomistic quantum mechanical simulation on InAs band-to-band tunneling field-effect transistors

    SciTech Connect (OSTI)

    Wang, Zhi [State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083 (China); Jiang, Xiang-Wei; Li, Shu-Shen [State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Wang, Lin-Wang, E-mail: lwwang@lbl.gov [Material Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2014-03-24

    We have presented a fully atomistic quantum mechanical simulation method on band-to-band tunneling (BTBT) field-effect transistors (FETs). Our simulation approach is based on the linear combination of bulk band method with empirical pseudopotentials, which is an atomist method beyond the effective-mass approximation or k.p perturbation method, and can be used to simulate real-size devices (?10{sup 5} atoms) efficiently (?5 h on a few computational cores). Using this approach, we studied the InAs dual-gate BTBT FETs. The I-V characteristics from our approach agree very well with the tight-binding non-equilibrium Green's function results, yet our method costs much less computationally. In addition, we have studied ways to increase the tunneling current and analyzed the effects of different mechanisms for that purpose.

  1. Quantum Mechanical Disclosure of the Classical Adiabatic Constancy of PVg for an Ideal Gas, and for a Photon Gas

    E-Print Network [OSTI]

    Arik, Metin; Kholmetskii, Alexander L

    2009-01-01

    Previously, we established a connection between the macroscopic classical laws of gases and the quantum mechanical description of molecules of an ideal gas (T. Yarman et al. arXiv:0805.4494). In such a gas, the motion of each molecule can be considered independently on all other molecules, and thus the macroscopic parameters of the ideal gas, like pressure P and temperature T, can be introduced as a result of simple averaging over all individual motions of the molecules. It was shown that for an ideal gas enclosed in a macroscopic cubic box of volume V, the constant, arising along with the classical law of adiabatic expansion, i.e. PV5/3=constant, can be explicitly derived based on quantum mechanics, so that the constant comes to be proportional to h^2/m; here h is the Planck Constant, and m is the relativistic mass of the molecule the gas is made of. In this article we show that the same holds for a photon gas, although the related setup is quite different than the previous ideal gas setup. At any rate, we c...

  2. 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.

  3. A study on quantum mechanical approach for $C_{60}$ diffraction analysis

    E-Print Network [OSTI]

    Xiang-Yao Wu; Bo-Jun Zhang; Xiao-Jing Liu; Nuo Ba; Yi-Heng Wu; Hou-Li Tang; Jing Wang; Si-Qi Zhang

    2012-12-01

    Diffraction phenomena of large molecules have been studied in many experiments, and these experiments are described by many theoretical works. In this paper, we study $C_{60}$ molecules single and double-slit diffraction with quantum theory approach, and we pay close attention to the $C_{60}$ diffraction experiment carried out by A.Zeilinger et.at in 1999. In double-slit diffraction, we consider the decoherence effect, and find the theoretical results are good agreement with experimental data.

  4. Consistent Cosmology, Dynamic Relativity and Causal Quantum Mechanics as Unified Manifestations of the Symmetry of Complexity

    E-Print Network [OSTI]

    Andrei P. Kirilyuk

    2014-05-14

    The universal symmetry, or conservation, of complexity underlies any law or principle of system dynamics and describes the unceasing transformation of dynamic information into dynamic entropy as the unique way to conserve their sum, the total dynamic complexity. Here we describe the real world structure emergence and dynamics as manifestation of the universal symmetry of complexity of initially homogeneous interaction between two protofields. It provides the unified complex-dynamic, causally complete origin of physically real, 3D space, time, elementary particles, their properties (mass, charge, spin, etc.), quantum, relativistic, and classical behaviour, as well as fundamental interaction forces, including naturally quantized gravitation. The old and new cosmological problems (including "dark" mass and energy) are basically solved for this explicitly emerging, self-tuning world structure characterised by strictly positive (and large) energy-complexity. A general relation is obtained between the numbers of world dimensions and fundamental forces, excluding plausible existence of hidden dimensions. The unified, causally explained quantum, classical, and relativistic properties (and types of behaviour) are generalised to all higher levels of complex world dynamics. The real world structure, dynamics, and evolution are exactly reproduced by the probabilistic dynamical fractal, which is obtained as the truly complete general solution of a problem and the unique structure of the new mathematics of complexity. We outline particular, problem-solving applications of always exact, but irregularly structured symmetry of unreduced dynamic complexity to microworld dynamics, including particle physics, genuine quantum chaos, real nanobiotechnology, and reliable genomics.

  5. 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.

  6. The Impact of QCD and Light-Cone Quantum Mechanics on Nuclear Physics

    E-Print Network [OSTI]

    Stanley J. Brodsky; Felix Schlumpf

    1994-12-02

    We discuss a number of novel applications of Quantum Chromodynamics to nuclear structure and dynamics, such as the reduced amplitude formalism for exclusive nuclear amplitudes. We particularly emphasize the importance of light-cone Hamiltonian and Fock State methods as a tool for describing the wavefunctions of composite relativistic many-body systems and their interactions. We also show that the use of covariant kinematics leads to nontrivial corrections to the standard formulae for the axial, magnetic, and quadrupole moments of nucleons and nuclei.

  7. The quantum mechanical geometric phase of a particle in a resonant vibrating cavity

    E-Print Network [OSTI]

    K. W. Yuen; H. T. Fung; K. M. Cheng; M. -C. Chu; K. Colanero

    2002-10-26

    We study the general-setting quantum geometric phase acquired by a particle in a vibrating cavity. Solving the two-level theory with the rotating-wave approximation and the SU(2) method, we obtain analytic formulae that give excellent descriptions of the geometric phase, energy, and wavefunction of the resonating system. In particular, we observe a sudden $\\pi$-jump in the geometric phase when the system is in resonance. We found similar behaviors in the geometric phase of a spin-1/2 particle in a rotating magnetic field, for which we developed a geometrical model to help visualize its evolution.

  8. Origin of the improved photo-catalytic activity of F-doped ZnWO{sub 4}: A quantum mechanical study

    SciTech Connect (OSTI)

    Sun, Honggang; Fan, Weiliu; Li, Yanlu; Cheng, Xiufeng; Li, Pan; Zhao, Xian

    2010-12-15

    Two different mechanisms for improving photo-catalytic activity in different types of F-doped ZnWO{sub 4} are tentatively proposed, based on density function theory calculations. When the lattice O atom is substituted by one F atom, our calculations show that a reduced W{sup 5+} center adjacent to the doped F atom will act as a trap for the photo-induced electron, and will thus result in a reduction of electron-hole recombination and improvement of the photo-catalytic activity. For the interstitial F-doped model, partial F 2p states mixing with O 2p states localize above the top of the valence band and act as the frontier orbital level. Electronic transitions from these localized states induce a red shift of about 54 nm of the optical absorption edge. This work shows that F-doped ZnWO{sub 4} will be a promising photo-catalyst with favorable photo-catalytic activity in the UV region. -- Graphical Abstract: DFT calculations are used to investigate the origin of the improved photo-activity of monoclinic ZnWO{sub 4} induced by the substituted and interstitial F-doping. Two possible mechanisms are tentatively put forward according to the F-doping types. Display Omitted

  9. Comment on [open quotes]Nonlocality, counterfactuals, and quantum mechanics[close quotes

    SciTech Connect (OSTI)

    Stapp, H.P. (Lawrence Berkeley National Laboratory, University of California at Berkely, Berkeley, California 94720 (United States))

    1999-09-01

    A recent proof [H. P. Stapp, Am. J. Phys. [bold 65], 300 (1997)], formulated in the symbolic language of modal logic, claims to show that contemporary quantum theory, viewed as a set of rules that allow us to calculate statistical predictions among certain kinds of observations, cannot be imbedded in any rational framework that conforms to the principles that (1) the experimenters[close quote] choices of which experiments they will perform can be considered to be free choices, (2) outcomes of measurements are unique, and (3) the free choices just mentioned have no backward-in-time effects of any kind. This claim is similar to Bell[close quote]s theorem, but much stronger, because no reality assumption alien to quantum philosophy is used. The paper being commented on [W. Unruh, Phys. Rev. A [bold 59], 126 (1999)] argues that some such reality assumption has been [open quotes]smuggled[close quotes] in. That argument is examined here and shown, I believe, to be defective. [copyright] [ital 1999] [ital The American Physical Society

  10. A Universal Damping Mechanism of Quantum Vibrations in Deep Sub-Barrier Fusion Reactions

    E-Print Network [OSTI]

    Takatoshi Ichikawa; Kenichi Matsuyanagi

    2015-06-26

    We demonstrate the damping of quantum octupole vibrations near the touching point when two colliding nuclei approach each other in the mass-asymmetric $^{208}$Pb + $^{16}$O system, for which the strong fusion hindrance was clearly observed. We, for the first time, apply the random-phase approximation method to the heavy-mass asymmetric di-nuclear system to calculate the transition strength $B$(E3) as a function of the center-of-mass distance. The obtained $B$(E3) strengths are substantially damped near the touching point, because the single-particle wave functions of the two nuclei strongly mix with each other and a neck is formed. The energy-weighted sums of $B$(E3) are also strongly correlated with the damping factor which is phenomenologically introduced in the standard coupled-channel calculations to reproduce the fusion hindrance. This strongly indicates that the damping of the quantum vibrations universally occurs in the deep sub-barrier fusion reactions.

  11. A Universal Damping Mechanism of Quantum Vibrations in Deep Sub-Barrier Fusion Reactions

    E-Print Network [OSTI]

    Ichikawa, Takatoshi

    2015-01-01

    We demonstrate the damping of quantum octupole vibrations near the touching point when two colliding nuclei approach each other in the mass-asymmetric $^{208}$Pb + $^{16}$O system, for which the strong fusion hindrance was clearly observed. We, for the first time, apply the random-phase approximation method to the heavy-mass asymmetric di-nuclear system to calculate the transition strength $B$(E3) as a function of the center-of-mass distance. The obtained $B$(E3) strengths are substantially damped near the touching point, because the single-particle wave functions of the two nuclei strongly mix with each other and a neck is formed. The energy-weighted sums of $B$(E3) are also strongly correlated with the damping factor which is phenomenologically introduced in the standard coupled-channel calculations to reproduce the fusion hindrance. This strongly indicates that the damping of the quantum vibrations universally occurs in the deep sub-barrier fusion reactions.

  12. Beyond quantum mechanics? Hunting the 'impossible' atoms (Pauli Exclusion Principle violation and spontaneous collapse of the wave function at test)

    E-Print Network [OSTI]

    K. Piscicchia; C. Curceanu; S. Bartalucci; A. Bassi; S. Bertolucci; C. Berucci; A. M. Bragadireanu; M. Cargnelli; A. Clozza; L. De Paolis; S. Di Matteo; S. Donadi; A. d'Uffizi; J-P. Egger; C. Guaraldo; M. Iliescu; T. Ishiwatari; M. Laubenstein; J. Marton; E. Milotti; D. Pietreanu; T. Ponta; E. Sbardella; A. Scordo; H. Shi; D. L. Sirghi; F. Sirghi; L. Sperandio; O. Vazquez Doce; J. Zmeskal

    2015-01-19

    The development of mathematically complete and consistent models solving the so-called "measurement problem", strongly renewed the interest of the scientific community for the foundations of quantum mechanics, among these the Dynamical Reduction Models posses the unique characteristic to be experimentally testable. In the first part of the paper an upper limit on the reduction rate parameter of such models will be obtained, based on the analysis of the X-ray spectrum emitted by an isolated slab of germanium and measured by the IGEX experiment. The second part of the paper is devoted to present the results of the VIP (Violation of the Pauli exclusion principle) experiment and to describe its recent upgrade. The VIP experiment established a limit on the probability that the Pauli Exclusion Principle (PEP) is violated by electrons, using the very clean method of searching for PEP forbidden atomic transitions in copper.

  13. Small-energy series for one-dimensional quantum-mechanical models with non-symmetric potentials

    E-Print Network [OSTI]

    Paolo Amore; Francisco M. Fernández

    2014-10-21

    We generalize a recently proposed small-energy expansion for one-dimensional quantum-mechanical models. The original approach was devised to treat symmetric potentials and here we show how to extend it to non-symmetric ones. Present approach is based on matching the logarithmic derivatives for the left and right solutions to the Schr\\"odinger equation at the origin (or any other point chosen conveniently) . As in the original method, each logarithmic derivative can be expanded in a small-energy series by straightforward perturbation theory. We test the new approach on four simple models, one of which is not exactly solvable. The perturbation expansion converges in all the illustrative examples so that one obtains the ground-state energy with an accuracy determined by the number of available perturbation corrections.

  14. A quantum mechanical relation connecting time, temperature, and cosmological constant of the universe: Gamow's relation revisited as a special case

    E-Print Network [OSTI]

    Subodha Mishra

    2007-06-13

    Considering our expanding universe as made up of gravitationally interacting particles which describe particles of luminous matter and dark matter and dark energy which is described by a repulsive harmonic potential among the points in the flat 3-space, we derive a quantum mechanical relation connecting, temperature of the cosmic microwave background radiation, age, and cosmological constant of the universe. When the cosmological constant is zero, we get back the Gamow's relation with a much better coefficient. Otherwise, our theory predicts a value of the cosmological constant $2.0 10^{-56} {\\rm {cm^{-2}}}$ when the present values of cosmic microwave background temperature of 2.728 K and age of the universe 14 billion years are taken as input.

  15. Ordering mechanism of stacked CdSe/ZnS{sub x}Se{sub 1-x} quantum dots: A combined reciprocal-space and real-space approach

    SciTech Connect (OSTI)

    Schmidt, Th.; Roventa, E.; Clausen, T.; Flege, J. I.; Alexe, G.; Rosenauer, A.; Hommel, D.; Falta, J.; Bernstorff, S.; Kuebel, C.

    2005-11-15

    The vertical and lateral ordering of stacked CdSe quantum dot layers embedded in ZnS{sub x}Se{sub 1-x} has been investigated by means of grazing incidence small angle x-ray scattering and transmission electron microscopy. Different growth parameters have been varied in order to elucidate the mechanisms leading to quantum dot correlation. From the results obtained for different numbers of quantum dot layers, we conclude on a self-organized process which leads to increasing ordering for progressive stacking. The dependence on the spacer layer thickness indicates that strain induced by lattice mismatch drives the ordering process, which starts to break down for too thick spacer layers in a thickness range from 45 to 80 A. Typical quantum dot distances in a range from about 110 to 160 A have been found. A pronounced anisotropy of the quantum dot correlation has been observed, with the strongest ordering along the [110] direction. Since an increased ordering is found with increasing growth temperature, the formation of stacking faults as an additional mechanism for quantum dot alignment can be ruled out.

  16. Scaling of volume to surface ratio and doubling time in growing unicellular organisms: Do cells appear quantum-mechanical systems?

    SciTech Connect (OSTI)

    Atanasov, Atanas Todorov, E-mail: atanastod@abv.bg [Department of Physics and Biophysics, Faculty of Medicine, Trakia University, 11 Armeiska Str., 6000 Stara Zagora (Bulgaria)

    2014-10-06

    The scaling of physical and biological characteristics of the living organisms is a basic method for searching of new biophysical laws. In series of previous studies the author showed that in Poikilotherms, Mammals and Aves, the volume to surface ratio V×S{sup ?1} (m) of organisms is proportional to their generation time T{sub gt}(s) via growth rate v (m s{sup ?1}): V×S{sup ?1}?=?v{sub gr}×T{sup r}. The power and the correlation coefficients are near to 1.0. Aim of this study is: i) to prove with experimental data the validity of the above equation for Unicellular organisms and ii) to show that perhaps, the cells are quantum-mechanical systems. The data for body mass M (kg), density ? (kg/m{sup 3}), minimum and maximum doubling time T{sub dt} (s) for 50 unicellular organisms are assembled from scientific sources, and the computer program ‘Statistics’ is used for calculations. In result i) the analytical relationship from type: V×S{sup ?1}?=?4.46?10{sup ?11}×T{sub dt} was found, where v{sub gr}?=?4.46×10{sup ?11} m/s and ii) it is shown that the products between cell mass M, cell length expressed by V/S ratio and growth rate v{sub gr} satisfied the Heisenberg uncertainty principle i.e. the inequalities V/S×M×v{sub gr}>h/2? and T{sub dt}×M×v{sub gr}{sup 2}>h/2? are valid, where h= 6.626×10{sup ?34} J?s is the Planck constant. This rise the question: do cells appear quantum-mechanical 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. Applied quantum mechanics 1 Applied Quantum Mechanics

    E-Print Network [OSTI]

    Levi, Anthony F. J.

    -linear recombination coefficient C 5 10 29­ cm 6 s 1­ = , a bulk gain model with optical transparency at carrier equations using the same device parameters as in Exercise 9.4, but with a 1 ns round-trip photon delay from) = 20 mA Lens 100% reflecting mirror Light path with 1 ns round-trip time Problem 9.5 The probability

  19. Two-electron reduction of ethylene carbonate: a quantum chemistry re-examination of mechanisms

    E-Print Network [OSTI]

    Leung, Kevin

    2013-01-01

    Passivating solid-electrolyte interphase (SEI) films arising from electrolyte decomposition on low-voltage lithium ion battery anode surfaces are critical for battery operations. We review the recent theoretical literature on electrolyte decomposition and emphasize the modeling work on two-electron reduction of ethylene carbonate (EC, a key battery organic solvent). One of the two-electron pathways, which releases CO gas, is re-examined using simple quantum chemistry calculations. Excess electrons are shown to preferentially attack EC in the order (broken EC^-) > (intact EC^-) > EC. This confirms the viability of two electron processes and emphasizes that they need to be considered when interpreting SEI experiments. An estimate of the crossover between one- and two-electron regimes under a homogeneous reaction zone approximation is proposed.

  20. Physics 143a: Quantum Mechanics I Spring 2015, Harvard Here is a summary of the most important points from the first lecture (with a few of my own tidbits),

    E-Print Network [OSTI]

    in SI units, which are chosen to be "close to 1" on everyday, human-size objects. Quantum mechanics. We usually work with = h 2 . (2) The development of quantum mechanics was motivated by experiments that the energy of the radiation emitted by this blackbody would be infinite. Planck (curve fitting) and Einstein

  1. 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.

  2. Why our human-sized world behaves classically, not quantum-mechanically: A popular non-technical exposition of a new idea

    E-Print Network [OSTI]

    C. L. Herzenberg

    2007-01-13

    This article provides a popular, largely non-technical explanation of how large objects can behave classically while smaller objects behave quantum mechanically, based on the effect of the presence of cosmic expansion velocities in extended objects. This article is intended to provide a more accessible presentation of concepts introduced in earlier papers that address this long-standing enigma in physics.

  3. Bosonic stimulation in the formation of a Bose-Einstein condensate Quantum-mechanical symmetry leads to bosonic stimulation, i.e. the probability of

    E-Print Network [OSTI]

    Bosonic stimulation in the formation of a Bose-Einstein condensate Quantum-mechanical symmetry leads to bosonic stimulation, i.e. the probability of non-condensed atoms scattering into the condensate is proportional to the number of condensed atoms already present. This process is analogous to stimulated emission

  4. 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.

  5. 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.

  6. 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...

  7. Understanding mechanisms for C-H bond activation 

    E-Print Network [OSTI]

    Vastine, Benjamin Alan

    2009-05-15

    The results from density functional theory (DFT) studies into C–H bond activation, hydrogen transfer, and alkyne–to–vinylidene isomerization are presented in this work. The reaction mechanism for the reductive elimination ...

  8. Nonlocal Phases of Local Quantum Mechanical Wavefunctions in Static and Time-Dependent Aharonov-Bohm Experiments

    E-Print Network [OSTI]

    Konstantinos Moulopoulos

    2010-09-17

    We show that the standard Dirac phase factor is not the only solution of the gauge transformation equations. The full form of a general gauge function (that connects systems that move in different sets of scalar and vector potentials), apart from Dirac phases also contains terms of classical fields that act nonlocally (in spacetime) on the local solutions of the time-dependent Schr\\"odinger equation: the phases of wavefunctions in the Schr\\"odinger picture are affected nonlocally by spatially and temporally remote magnetic and electric fields, in ways that are fully explored. These contributions go beyond the usual Aharonov-Bohm effects (magnetic or electric). (i) Application to cases of particles passing through static magnetic or electric fields leads to cancellations of Aharonov-Bohm phases at the observation point; these are linked to behaviors at the semiclassical level (to the old Werner & Brill experimental observations, or their "electric analogs" - or to recent reports of Batelaan & Tonomura) but are shown to be far more general (true not only for narrow wavepackets but also for completely delocalized quantum states). By using these cancellations, certain previously unnoticed sign-errors in the literature are corrected. (ii) Application to time-dependent situations provides a remedy for erroneous results in the literature (on improper uses of Dirac phase factors) and leads to phases that contain an Aharonov-Bohm part and a field-nonlocal part: their competition is shown to recover Relativistic Causality in earlier "paradoxes" (such as the van Kampen thought-experiment), while a more general consideration indicates that the temporal nonlocalities found here demonstrate in part a causal propagation of phases of quantum mechanical wavefunctions in the Schr\\"odinger picture. This may open a direct way to address time-dependent double-slit experiments and the associated causal issues

  9. 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.

  10. 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

  11. Quantum Matching Pennies Game

    E-Print Network [OSTI]

    Azhar Iqbal; Derek Abbott

    2008-10-21

    A quantum version of the Matching Pennies (MP) game is proposed that is played using an Einstein-Podolsky-Rosen-Bohm (EPR-Bohm) setting. We construct the quantum game without using the state vectors, while considering only the quantum mechanical joint probabilities relevant to the EPR-Bohm setting. We embed the classical game within the quantum game such that the classical MP game results when the quantum mechanical joint probabilities become factorizable. We report new Nash equilibria in the quantum MP game that emerge when the quantum mechanical joint probabilities maximally violate the Clauser-Horne-Shimony-Holt form of Bell's inequality.

  12. Quantum Chaos via the Quantum Action

    E-Print Network [OSTI]

    H. Kröger

    2002-12-16

    We discuss the concept of the quantum action with the purpose to characterize and quantitatively compute quantum chaos. As an example we consider in quantum mechanics a 2-D Hamiltonian system - harmonic oscillators with anharmonic coupling - which is classically a chaotic system. We compare Poincar\\'e sections obtained from the quantum action with those from the classical action.

  13. Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the Alanine dipeptide

    E-Print Network [OSTI]

    Pablo Echenique; Ivan Calvo; J. L. Alonso

    2006-12-04

    If constraints are imposed on a macromolecule, two inequivalent classical models may be used: the stiff and the rigid one. This work studies the effects of such constraints on the Conformational Equilibrium Distribution (CED) of the model dipeptide HCO-L-Ala-NH2 without any simplifying assumption. We use ab initio Quantum Mechanics calculations including electron correlation at the MP2 level to describe the system, and we measure the conformational dependence of all the correcting terms to the naive CED based in the Potential Energy Surface (PES) that appear when the constraints are considered. These terms are related to mass-metric tensors determinants and also occur in the Fixman's compensating potential. We show that some of the corrections are non-negligible if one is interested in the whole Ramachandran space. On the other hand, if only the energetically lower region, containing the principal secondary structure elements, is assumed to be relevant, then, all correcting terms may be neglected up to peptides of considerable length. This is the first time, as far as we know, that the analysis of the conformational dependence of these correcting terms is performed in a relevant biomolecule with a realistic potential energy function.

  14. 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

  15. Quantum Chaos

    E-Print Network [OSTI]

    Frank Steiner

    1994-02-07

    A short historical overview is given on the development of our knowledge of complex dynamical systems with special emphasis on ergodicity and chaos, and on the semiclassical quantization of integrable and chaotic systems. The general trace formula is discussed as a sound mathematical basis for the semiclassical quantization of chaos. Two conjectures are presented on the basis of which it is argued that there are unique fluctuation properties in quantum mechanics which are universal and, in a well defined sense, maximally random if the corresponding classical system is strongly chaotic. These properties constitute the quantum mechanical analogue of the phenomenon of chaos in classical mechanics. Thus quantum chaos has been found.

  16. Quantum Thermodynamic Cycles and Quantum Heat Engines (II)

    E-Print Network [OSTI]

    H. T. Quan

    2009-03-09

    We study the quantum mechanical generalization of force or pressure, and then we extend the classical thermodynamic isobaric process to quantum mechanical systems. Based on these efforts, we are able to study the quantum version of thermodynamic cycles that consist of quantum isobaric process, such as quantum Brayton cycle and quantum Diesel cycle. We also consider the implementation of quantum Brayton cycle and quantum Diesel cycle with some model systems, such as single particle in 1D box and single-mode radiation field in a cavity. These studies lay the microscopic (quantum mechanical) foundation for Szilard-Zurek single molecule engine.

  17. 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 ...

  18. 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.

  19. Appropriate SCF basis sets for orbital studies of galaxies and a `quantum-mechanical' method to compute them

    E-Print Network [OSTI]

    Constantinos Kalapotharakos; Christos Efthymiopoulos; Nikos Voglis

    2007-09-06

    We address the question of an appropriate choice of basis functions for the self-consistent field (SCF) method of simulation of the N-body problem. Our criterion is based on a comparison of the orbits found in N-body realizations of analytical potential-density models of triaxial galaxies, in which the potential is fitted by the SCF method using a variety of basis sets, with those of the original models. Our tests refer to maximally triaxial Dehnen gamma-models for values of $\\gamma$ in the range 0<=gamma<=1. When an N-body realization of a model is fitted by the SCF method, the choice of radial basis functions affects significantly the way the potential, forces, or derivatives of the forces are reproduced, especially in the central regions of the system. We find that this results in serious discrepancies in the relative amounts of chaotic versus regular orbits, or in the distributions of the Lyapunov characteristic exponents, as found by different basis sets. Numerical tests include the Clutton-Brock and the Hernquist-Ostriker (HO) basis sets, as well as a family of numerical basis sets which are `close' to the HO basis set. The family of numerical basis sets is parametrized in terms of a quantity $\\epsilon$ which appears in the kernel functions of the Sturm-Liouville (SL) equation defining each basis set. The HO basis set is the $\\epsilon=0$ member of the family. We demonstrate that grid solutions of the SL equation yielding numerical basis sets introduce large errors in the variational equations of motion. We propose a quantum-mechanical method of solution of the SL equation which overcomes these errors. We finally give criteria for a choice of optimal value of $\\epsilon$ and calculate the latter as a function of the value of gamma.

  20. Quantum time

    E-Print Network [OSTI]

    Giovannetti, Vittorio

    We give a consistent quantum description of time, based on Page and Wootters’s conditional probabilities mechanism, which overcomes the criticisms that were raised against similar previous proposals. In particular we show ...

  1. 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.

  2. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

    E-Print Network [OSTI]

    Fujihashi, Yuta; Ishizaki, Akihito

    2015-01-01

    Recently, nuclear vibrational contribution signatures in 2D electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the e...

  3. IEEEJOURNAL OF QUANTUM ELECTRONICS, VOL. QE-16, NO. 3, MARCH 1980 373 Internal Photoemission Mechanisms at Interfaces

    E-Print Network [OSTI]

    Teich, Malvin C.

    electron transition mechanisms. tum efficiencyassociatedwith the mechanismsindicatedby arrows 3 and 4

  4. PHYSICAL REVIEW B 83, 113303 (2011) Electron relaxation in quantum dots by the interatomic Coulombic decay mechanism

    E-Print Network [OSTI]

    Moiseyev, Nimrod

    2011-01-01

    Coulombic decay mechanism Ira Cherkes1 and Nimrod Moiseyev2 1 Russell-Berrie Nanotechnology Institute cells. Several different fundamental mechanisms are known. In this Brief Report we propose another possible relaxation mechanism which is based on the interatomic Coulombic decay (ICD) mechanism first

  5. Cluster-based architecture for fault-tolerant quantum computation...

    Office of Scientific and Technical Information (OSTI)

    71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; CLUSTER MODEL; CORRECTIONS; ERRORS; NOISE; QUANTUM COMPUTERS; QUBITS; RESOURCES; VERIFICATION COMPUTERS; INFORMATION;...

  6. Hydrogen storage in LiAlH4 : Predictions of the crystal structures and reaction mechanisms of intermediate phases from quantum mechanics

    E-Print Network [OSTI]

    Goddard III, William A.

    Hydrogen storage in LiAlH4 : Predictions of the crystal structures and reaction mechanisms in decomposition of the potential hydrogen storage material LiAlH4 . First, we explore the decomposition mechanism of monoclinic LiAlH4 into monoclinic Li3AlH6 plus face-centered cubic fcc Al and hydrogen. We find

  7. 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

  8. Effect of atomic scale plasticity on hydrogen diffusion in iron: Quantum mechanically informed and on-the-fly kinetic

    E-Print Network [OSTI]

    Ortiz, Michael

    ) Department of Mechanical and Aerospace Engineering and Program in Applied and Computational Mathematics, and mechanical engineering. The deleterious effect of hydrogen on the mechanical properties of metals and alloys as the two most viable for stable phases. Material degradation via the formation of brittle hydride phases,9

  9. Proton diffusion pathways and rates in Y-doped BaZrO3 solid oxide electrolyte from quantum mechanics

    E-Print Network [OSTI]

    Goddard III, William A.

    Proton diffusion pathways and rates in Y-doped BaZrO3 solid oxide electrolyte from quantum in the BYZ electrolyte. Indeed, the calculated values bracket the experimental value of Ea=0.44 eV. Based been proposed for the BYZ electrolyte. The thermal librations of BO6 octahedra and uncorrelated thermal

  10. 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.

  11. InGaAs tunnel diodes for the calibration of semi-classical and quantum mechanical band-to-band tunneling models

    SciTech Connect (OSTI)

    Smets, Quentin; Verreck, Devin; Vandervorst, Wilfried; Groeseneken, Guido; Heyns, Marc M. [Imec, Kapeldreef 75, 3001 Heverlee (Belgium); KULeuven, 3001 Leuven (Belgium); Verhulst, Anne S.; Rooyackers, Rita; Merckling, Clément; Simoen, Eddy; Collaert, Nadine; Thean, Voon Y. [Imec, Kapeldreef 75, 3001 Heverlee (Belgium); Van De Put, Maarten; Sorée, Bart [Imec, Kapeldreef 75, 3001 Heverlee (Belgium); Universiteit Antwerpen, 2020 Antwerpen (Belgium)

    2014-05-14

    Promising predictions are made for III-V tunnel-field-effect transistor (FET), but there is still uncertainty on the parameters used in the band-to-band tunneling models. Therefore, two simulators are calibrated in this paper; the first one uses a semi-classical tunneling model based on Kane's formalism, and the second one is a quantum mechanical simulator implemented with an envelope function formalism. The calibration is done for In{sub 0.53}Ga{sub 0.47}As using several p+/intrinsic/n+ diodes with different intrinsic region thicknesses. The dopant profile is determined by SIMS and capacitance-voltage measurements. Error bars are used based on statistical and systematic uncertainties in the measurement techniques. The obtained parameters are in close agreement with theoretically predicted values and validate the semi-classical and quantum mechanical models. Finally, the models are applied to predict the input characteristics of In{sub 0.53}Ga{sub 0.47}As n- and p-lineTFET, with the n-lineTFET showing competitive performance compared to MOSFET.

  12. Proposed mechanism to represent the suppression of dark current density by four orders with low energy light ion (H{sup ?}) implantation in quaternary alloy-capped InAs/GaAs quantum dot infrared photodetectors

    SciTech Connect (OSTI)

    Mandal, A.; Ghadi, H.; Mathur, K.L.; Basu, A.; Subrahmanyam, N.B.V.; Singh, P.; Chakrabarti, S.

    2013-08-01

    Graphical abstract: - Abstract: Here we propose a carrier transport mechanism for low energy H{sup ?} ions implanted InAs/GaAs quantum dot infrared photodetectors supportive of the experimental results obtained. Dark current density suppression of up to four orders was observed in the implanted quantum dot infrared photodetectors, which further demonstrates that they are effectively operational. We concentrated on determining how defect-related material and structural changes attributed to implantation helped in dark current density reduction for InAs/GaAs quantum dot infrared photodetectors. This is the first study to report the electrical carrier transport mechanism of H{sup ?} ion-implanted InAs/GaAs quantum dot infrared photodetectors.

  13. Quantum conversion

    E-Print Network [OSTI]

    Michael Mazilu

    2015-08-06

    The electromagnetic momentum transferred transfered to scattering particles is proportional to the intensity of the incident fields, however, the momentum of single photons ($\\hbar k$) does not naturally appear in these classical expressions. Here, we discuss an alternative to Maxwell's stress tensor that renders the classical electromagnetic field momentum compatible to the quantum mechanical one. This is achieved through the introduction of the quantum conversion which allows the transformation, including units, of the classical fields to wave-function equivalent fields.

  14. Quantum stochastic equations for an opto-mechanical oscillator with radiation pressure interaction and non-Markovian effects

    E-Print Network [OSTI]

    Alberto Barchielli

    2015-06-24

    The quantum stochastic Schroedinger equation or Hudson-Parthasareathy (HP) equation is a powerful tool to construct unitary dilations of quantum dynamical semigroups and to develop the theory of measurements in continuous time via the construction of output fields. An important feature of such an equation is that it allows to treat not only absorption and emission of quanta, but also scattering processes, which however had very few applications in physical modelling. Moreover, recent developments have shown that also some non-Markovian dynamics can be generated by suitable choices of the state of the quantum noises involved in the HP-equation. This paper is devoted to an application involving these two features, non-Markovianity and scattering process. We consider a micro-mirror mounted on a vibrating structure and reflecting a laser beam, a process giving rise to a radiation-pressure force on the mirror. We show that this process needs the scattering part of the HP-equation to be described. On the other side, non-Markovianity is introduced by the dissipation due to the interaction with some thermal environment which we represent by a phonon field, with a nearly arbitrary excitation spectrum, and by the introduction of phase noise in the laser beam. Finally, we study the full power spectrum of the reflected light and we show how the laser beam can be used as a temperature probe.

  15. 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.

  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. 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}

  18. 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.

  19. The World-Line Quantum Mechanics Model at Finite Temperature which is Dual to the Static Patch Observer in de Sitter Space

    E-Print Network [OSTI]

    Ryuichi Nakayama

    2011-12-13

    A simple conformal quantum mechanics model of a d-component variable is proposed, which exactly reproduces the retarded Green functions and conformal weights of conformally coupled scalar fields in de Sitter spacetime seen by a static patch observer. It is found that the action integral of this model is automatically expressed by a complex integral over the time variable t along a closed contour in a way which is typical to the Schwinger-Keldysh formalism of a thermofield theory. Hence this model is at finite temperature. The case of conformally coupled scalar fields in 3d Schwarzschild de Sitter space is also considered and then a large-N matrix model is obtained.

  20. 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

  1. 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...

  2. Bohmian Mechanics Detlef Durr, Sheldon Goldstein,

    E-Print Network [OSTI]

    Goldstein, Sheldon

    Bohmian Mechanics Detlef D¨urr, Sheldon Goldstein, Roderich Tumulka, and Nino Zangh`i December 31, 2004 Quantum Mechanics and Reality. While quantum mechanics, as presented in physics text- books (within the realm of quantum mechanics). A description of re- ality, in contrast, would tell us what

  3. 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.

  4. Quantum Mechanical Treatment of Variable Molecular Composition: From "Alchemical" Changes of State Functions to Rational Compound Design

    E-Print Network [OSTI]

    Chang, K Y Samuel

    2015-01-01

    "Alchemical" interpolation paths, i.e.~coupling systems along fictitious paths that without realistic correspondence, are frequently used within materials and molecular modeling and simulation protocols for the estimation of relative changes in state functions such as free energies. We discuss alchemical changes in the context of quantum chemistry, and present illustrative numerical results for the changes of HOMO eigenvalues of the He atom due to a linear alchemical teleportation---the simultaneous annihilation and creation of nuclear charges at different locations. To demonstrate the predictive power of alchemical first order derivatives (Hellmann-Feynman) the covalent bond potential of hydrogen fluoride and hydrogen chloride is investigated, as well as the van-der-Waals binding in the water-water and water-hydrogen fluoride dimer, respectively. Based on converged electron densities for one configuration, the versatility of alchemical derivatives is exemplified for the screening of entire binding potentials...

  5. Quantum codes over Finite Frobenius Rings 

    E-Print Network [OSTI]

    Sarma, Anurupa

    2012-10-19

    It is believed that quantum computers would be able to solve complex problems more quickly than any other deterministic or probabilistic computer. Quantum computers basically exploit the rules of quantum mechanics for speeding up computations...

  6. Experimental and quantum mechanics investigations of early reactions of monomethylhydrazine with mixtures of NO2 and N2O4

    E-Print Network [OSTI]

    Goddard III, William A.

    States b Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Hypergolic bipropellants are fuel-oxidizer combinations that ignite spontaneously upon mixing at ambient it important to develop computa- tional fluid dynamics (CFD) models to gain insight into the influ- ence

  7. Quantum mechanical calculations of state-to-state cross sections and rate constants for the F + DCl ? Cl + DF reaction

    SciTech Connect (OSTI)

    Bulut, Niyazi; K?os, Jacek; Roncero, Octavio

    2015-06-07

    We present accurate state-to-state quantum wave packet calculations of integral cross sections and rate constants for the title reaction. Calculations are carried out on the best available ground 1{sup 2}A? global adiabatic potential energy surface of Deskevich et al. [J. Chem. Phys. 124, 224303 (2006)]. Converged state-to-state reaction cross sections have been calculated for collision energies up to 0.5 eV and different initial rotational and vibrational excitations, DCl(v = 0, j = 0 ? 1; v = 1, j = 0). Also, initial-state resolved rate constants of the title reaction have been calculated in a temperature range of 100-400 K. It is found that the initial rotational excitation of the DCl molecule does not enhance reactivity, in contract to the reaction with the isotopologue HCl in which initial rotational excitation produces an important enhancement. These differences between the isotopologue reactions are analyzed in detail and attributed to the presence of resonances for HCl(v = 0, j), absent in the case of DCl(v = 0, j). For vibrational excited DCl(v = 1, j), however, the reaction cross section increases noticeably, what is also explained by another resonance.

  8. 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.

  9. 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

  10. DFT STUDY REVISES INTERSTITIAL CONFIGURATIONS IN HCP Zr

    SciTech Connect (OSTI)

    Samolyuk, German D; Golubov, Stanislav I; Osetskiy, Yury N; Stoller, Roger E

    2012-06-01

    Analysis of experimental result on microstructure evolution in irradiated Zr and alloys has demonstrated that available knowledge on self-interstitial defects in Zr is in contradiction. We therefore have initiated an extensive theoretical and modeling program to clarify this issue. In this report we present first ab initio calculations results of single SIA configurations in Zr. We demonstrate importance of simulations cell size, applied exchange-correlation functional and simulated c/a ratio. The results obtained demonstrate clearly that the most stable configurations are in basal plane and provide some evidences for enhanced interstitial transport along basal planes. The results obtained will be used in generation a new interatomic potential for Zr to be used in large-scale atomistic modeling of mechanisms relevant for radiation-induced microstructure evolution.

  11. Strongly correlated quantum fluids: ultracold quantum gases, quantum chromodynamic plasmas and holographic duality

    E-Print Network [OSTI]

    Adams, Allan

    Strongly correlated quantum fluids are phases of matter that are intrinsically quantum mechanical and that do not have a simple description in terms of weakly interacting quasiparticles. Two systems that have recently ...

  12. 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

  13. 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.

  14. 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:

  15. Quantum Control Landscapes

    E-Print Network [OSTI]

    Raj Chakrabarti; Herschel Rabitz

    2007-10-03

    Numerous lines of experimental, numerical and analytical evidence indicate that it is surprisingly easy to locate optimal controls steering quantum dynamical systems to desired objectives. This has enabled the control of complex quantum systems despite the expense of solving the Schrodinger equation in simulations and the complicating effects of environmental decoherence in the laboratory. Recent work indicates that this simplicity originates in universal properties of the solution sets to quantum control problems that are fundamentally different from their classical counterparts. Here, we review studies that aim to systematically characterize these properties, enabling the classification of quantum control mechanisms and the design of globally efficient quantum control algorithms.

  16. 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.

  17. 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.

  18. 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...

  19. Unusual mechanism for H{sub 3}{sup +} formation from ethane as obtained by femtosecond laser pulse ionization and quantum chemical calculations

    SciTech Connect (OSTI)

    Kraus, Peter M.; Schwarzer, Martin C.; Schirmel, Nora; Urbasch, Gunter; Frenking, Gernot; Weitzel, Karl-Michael

    2011-03-21

    The formation of H{sub 3}{sup +} from saturated hydrocarbon molecules represents a prototype of a complex chemical process, involving the breaking and the making of chemical bonds. We present a combined theoretical and experimental investigation providing for the first time an understanding of the mechanism of H{sub 3}{sup +} formation at the molecular level. The experimental approach involves femtosecond laser pulse ionization of ethane leading to H{sub 3}{sup +} ions with kinetic energies on the order of 4 to 6.5 eV. The theoretical approach involves high-level quantum chemical calculation of the complete reaction path. The calculations confirm that the process takes place on the potential energy surface of the ethane dication. A surprising result of the theoretical investigation is, that the transition state of the process can be formally regarded as a H{sub 2} molecule attached to a C{sub 2}H{sub 4}{sup 2+} entity but IRC calculations show that it belongs to the reaction channel yielding C{sub 2}H{sub 3}{sup +}+ H{sub 3}{sup +}. Experimentally measured kinetic energies of the correlated H{sub 3}{sup +} and C{sub 2}H{sub 3}{sup +} ions confirm the reaction path suggested by theory.

  20. Theoretical Studies of Structures and Mechanisms in Organometallic and Bioinorganic Chemistry: Heck Reaction with Palladium Phosphines, Active Sites of Superoxide Reductase and Cytochrome P450 Monooxygenase, and Tetrairon Hexathiolate Hydrogenase Model 

    E-Print Network [OSTI]

    Surawatanawong, Panida

    2010-07-14

    The electronic structures and reaction mechanisms of transition-metal complexes can be calculated accurately by density functional theory (DFT) in cooperation with the continuum solvation model. The palladium catalyzed ...

  1. capture quantum correlations Qasimi, Asma Al-; James, Daniel...

    Office of Scientific and Technical Information (OSTI)

    University of Toronto, Toronto, Ontario M5S 1A7 (Canada) 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ALGORITHMS; CAPTURE; ENTROPY; MIXED STATES; PURE STATES; QUANTUM...

  2. Secure Quantum Key Distribution

    E-Print Network [OSTI]

    Hoi-Kwong Lo; Marcos Curty; Kiyoshi Tamaki

    2015-05-20

    Secure communication plays a crucial role in the Internet Age. Quantum mechanics may revolutionise cryptography as we know it today. In this Review Article, we introduce the motivation and the current state of the art of research in quantum cryptography. In particular, we discuss the present security model together with its assumptions, strengths and weaknesses. After a brief introduction to recent experimental progress and challenges, we survey the latest developments in quantum hacking and counter-measures against it.

  3. Superradiant Quantum Heat Engine

    E-Print Network [OSTI]

    Ali Ü. C. Hardal; Özgür E. Müstecapl?oglu

    2015-07-16

    Quantum physics revolutionized classical disciplines of mechanics, statistical physics, and electrodynamics. One branch of scientific knowledge however seems untouched: thermodynamics. Major motivation behind thermodynamics is to develop efficient heat engines. Technology has a trend to miniaturize engines, reaching to quantum regimes. Development of quantum heat engines (QHEs) requires emerging field of quantum thermodynamics. Studies of QHEs debate whether quantum coherence can be used as a resource. We explore an alternative where it can function as an effective catalyst. We propose a QHE which consists of a photon gas inside an optical cavity as the working fluid and quantum coherent atomic clusters as the fuel. Utilizing the superradiance, where a cluster can radiate quadratically faster than a single atom, we show that the work output becomes proportional to the square of the number of the atoms. In addition to practical value of cranking up QHE, our result is a fundamental difference of a quantum fuel from its classical counterpart.

  4. Superradiant Quantum Heat Engine

    E-Print Network [OSTI]

    Ali Ü. C. Hardal; Özgür E. Müstecapl?oglu

    2015-04-22

    Quantum physics revolutionized classical disciplines of mechanics, statistical physics, and electrodynamics. One branch of scientific knowledge however seems untouched: thermodynamics. Major motivation behind thermodynamics is to develop efficient heat engines. Technology has a trend to miniaturize engines, reaching to quantum regimes. Development of quantum heat engines (QHEs) requires emerging field of quantum thermodynamics. Studies of QHEs debate whether quantum coherence can be used as a resource. We explore an alternative where it can function as an effective catalyst. We propose a QHE which consists of a photon gas inside an optical cavity as the working fluid and quantum coherent atomic clusters as the fuel. Utilizing the superradiance, where a cluster can radiate quadratically faster than a single atom, we show that the work output becomes proportional to the square of the number of the atoms. In addition to practical value of cranking up QHE, our result is a fundamental difference of a quantum fuel from its classical counterpart.

  5. 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.

  6. Nonlinear Quantum Gravity

    E-Print Network [OSTI]

    George Svetlichny

    2006-02-01

    Nonlinear quantum mechanics at the Planck scale can produce nonlocal effects contributing to resolution of singularities, to cosmic acceleration, and modified black-hole dynamics, while avoiding the usual causality issues.

  7. Boosted Statistical Mechanics

    E-Print Network [OSTI]

    Massimo Testa

    2015-07-30

    Based on the fundamental principles of Relativistic Quantum Mechanics, we give a rigorous, but completely elementary, proof of the relation between fundamental observables of a statistical system when measured relatively to two inertial reference frames, connected by a Lorentz transformation.

  8. 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

  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. 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...

  11. 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.

  12. 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

  13. Large scale quantum mechanical enzymology

    E-Print Network [OSTI]

    Lever, Greg

    2014-10-07

    the problems of another community. One such example is when the importance of structural Introduction 5 heterogeneity in proteins was first revealed through experiments on myoglobin [16], using the cryogenic tools available to condensed matter physicists... it in fact be best to work relative to the calculated freezing point ? Whichever field it is applied to and whatever science underlies it, the testing of a simulation method is a vital part of any investigation and is a central theme in this dissertation. 1...

  14. 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.

  15. 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

  16. Tunable quantum beam splitters for coherent manipulation of a solid-state tripartite qubit system

    E-Print Network [OSTI]

    Sun, Guozhu; Wen, Xueda; Mao, Bo; Chen, Jian; Yu, Yang; Wu, Peiheng; Han, Siyuan

    2010-08-10

    Coherent control of quantum states is at the heart of implementing solid-state quantum processors and testing quantum mechanics at the macroscopic level. Despite significant progress made in recent years in controlling single- and bi-partite quantum...

  17. Quantization of Minimal Strings: a Mechanical Analog

    SciTech Connect (OSTI)

    Gomez, Cesar; Montanez, Sergio; Resco, Pedro [Instituto de Fisica Teorica CSIC/UAM, C-XVI Universidad Autonoma, E-28049 Madrid (Spain)

    2006-06-19

    Recent progress in the study of Liouville field theory opens the possibility to address some problems of quantum gravity using minimal strings as a theoretical laboratory. We present a procedure to embed the minimal string target space into the phase space of an associated mechanical system. By this map quantum effects on the target space correspond to quantum corrections on the mechanical model.

  18. 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.

  19. 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.

  20. Quantum Transport in Misoriented Layers of Graphene: Physics and Device Applications

    E-Print Network [OSTI]

    Habib, K M Masum

    2013-01-01

    calculation of electronic structures are performed with the ab initio quantum mechanical molecular dynamics,

  1. Bohmian Mechanics Detlef Durr1

    E-Print Network [OSTI]

    Goldstein, Sheldon

    Bohmian Mechanics Detlef D¨urr1 , Sheldon Goldstein2 , Roderich Tumulka3 , and Nino Zangh`i4, Via Dodecaneso 33, 16146 Genova, Italy. E-mail: zanghi@ge.infn.it #12;Bohmian mechanics is a theory mechanics, observers see the same statistics for experimental results as predicted by quantum mechanics

  2. 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.

  3. Dynamics of multiphoton excitation and quantum diffusion in Rydberg atoms

    E-Print Network [OSTI]

    Chu, Shih-I; Wang, Kwanghsi

    1989-02-15

    with a different excitation mechanism. In this paper, we emphasize the study of the two major excitation mechanisms: quantum diffusion and multiphoton resonant excitation. The region dominated by quantum diffusion lies in the frequency range ?c

  4. Mecanica Clasica (Classical Mechanics)

    E-Print Network [OSTI]

    Rosu, H C

    1999-01-01

    First Internet undergraduate course on Classical Mechanics in Spanish (Castellano). This is about 80% of the material I covered during the January-June 1999 semester at IFUG in the Mexican city of Leon. English and Romanian versions are in (slow) progress and hopefully will be arXived. For a similar course on Quantum Mechanics, see physics/9808031

  5. 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

  6. 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

  7. 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

  8. 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

  9. Quantum Equivalence and Quantum Signatures in Heat Engines

    E-Print Network [OSTI]

    Raam Uzdin; Amikam Levy; Ronnie Kosloff

    2015-04-15

    Quantum heat engines (QHE) are thermal machines where the working substance is quantum. In the extreme case the working medium can be a single particle or a few level quantum system. The study of QHE has shown a remarkable similarity with the standard thermodynamical models, thus raising the issue what is quantum in quantum thermodynamics. Our main result is thermodynamical equivalence of all engine type in the quantum regime of small action. They have the same power, the same heat, the same efficiency, and they even have the same relaxation rates and relaxation modes. Furthermore, it is shown that QHE have quantum-thermodynamic signature, i.e thermodynamic measurements can confirm the presence of quantum coherence in the device. The coherent work extraction mechanism enables power outputs that greatly exceed the power of stochastic (dephased) engines.

  10. 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.

  11. 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.

  12. 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.

  13. 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...

  14. Quantum cards and quantum rods

    E-Print Network [OSTI]

    Milan Batista; Joze Peternelj

    2006-11-02

    Quantum mechanical analysis of a rigid rod with one end fixed to a flat table is presented. It is shown, that for a macroscopic rod the ground state is orientationally delocalized only if the table is absolutely horizontal. In this latter case the rod, assumed to be initally in the upright orientation, falls down symmetrically and simultaneously in both directions, as claimed by Tegmark and Wheeler. In addition, the time of fall is calculated using WKB wavefunctions representing energy eigenstates near the barrier summit.

  15. Fractional Classical Mechanics

    E-Print Network [OSTI]

    Nick Laskin

    2013-02-03

    Fractional classical mechanics has been introduced and developed as a classical counterpart of the fractional quantum mechanics. Lagrange, Hamilton and Hamilton-Jacobi frameworks have been implemented for the fractional classical mechanics. The Lagrangian of fractional classical mechanics has been introduced, and equation of motion has been obtained. Fractional oscillator model has been launched and solved in 1D case. A new equation for the period of oscillations of fractional classical oscillator has been found. The interplay between the energy dependency of the period of classical oscillations and the non-equidistant distribution of the energy levels for fractional quantum oscillator has been discussed. We discuss as well, the relationships between new equations of fractional classical mechanics and the well-known fundamental equations of classical mechanics.

  16. Quantum cutting mechanism in Tb3+-Yb3+ co-doped oxyfluoride glass Qianqian Duan, Feng Qin, Dan Wang, Wei Xu, Jianmin Cheng et al.

    E-Print Network [OSTI]

    Cao, Wenwu

    in the high energy region of the solar spectrum.1­5 Therefore, near infrared quantum cutting is a promising cutting using Re3þ -Yb3þ to enhance high energy absorbing efficiency for solar cells was first reported October 2011; published online 1 December 2011) Rate equations were created to describe cooperative

  17. Artificial Life in Quantum Technologies

    E-Print Network [OSTI]

    U. Alvarez-Rodriguez; M. Sanz; L. Lamata; E. Solano

    2015-05-14

    We develop a quantum information protocol that models the biological behaviors of individuals living in a natural selection scenario. The artificially engineered evolution of the quantum living units shows the fundamental features of life in a common environment, such as self-replication, mutation, interaction of individuals, and death. We propose how to mimic these bio-inspired features in a quantum-mechanical formalism, which allows for an experimental implementation achievable with current quantum platforms. This result paves the way for the realization of artificial life and embodied evolution with quantum technologies.

  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. Generalized Geometric Quantum Speed Limits

    E-Print Network [OSTI]

    Diego Paiva Pires; Marco Cianciaruso; Lucas C. Céleri; Gerardo Adesso; Diogo O. Soares-Pinto

    2015-09-30

    The attempt to gain a theoretical understanding of the concept of time in quantum mechanics has triggered significant progress towards the search for faster and more efficient quantum technologies. One of such advances consists in the interpretation of the time-energy uncertainty relations as lower bounds for the minimal evolution time between two distinguishable states of a quantum system, also known as quantum speed limits. We investigate how the non uniqueness of a bona fide measure of distinguishability defined on the quantum state space affects the quantum speed limits and can be exploited in order to derive improved bounds. Specifically, we establish an infinite family of quantum speed limits valid for unitary and nonunitary evolutions, based on an elegant information geometric formalism. Our work unifies and generalizes existing results on quantum speed limits, and provides instances of novel bounds which are tighter than any established one based on the conventional quantum Fisher information. We illustrate our findings with relevant examples, clarifying the role of classical populations versus quantum coherences in the determination and saturation of the speed limits. Our results can find applications in the optimization and control of quantum technologies such as quantum computation and metrology, and might provide new insights in fundamental investigations of quantum thermodynamics.

  20. 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).