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Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
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1

Physicalism versus quantum mechanics  

E-Print Network (OSTI)

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

Stapp, Henry P; Theoretical Physics Group; Physics Division

2009-01-01T23:59:59.000Z

2

Quantum chaos in elementary quantum mechanics  

E-Print Network (OSTI)

chaos in elementary quantum mechanics so-called integrableIntroduction to Quantum Mechanics (Englewoods Cliff, NJ:Lifshitz E M 1977 Quantum Mechanics (New York: Pergamon) [

Dabaghian, Yuri A; Jensen, R

2005-01-01T23:59:59.000Z

3

Quantum Mechanics Measurements, Mutually  

E-Print Network (OSTI)

Quantum Mechanics Measurements, Mutually Unbiased Bases and Finite Geometry Or why six is the first) #12;Quantum Mechanics for Dummies Finite dimensional quantum states are represented by trace one,1 -icS1,1[ ] #12;Quantum systems evolve and are measured. The evolution of a quantum system using

Gruner, Daniel S.

4

Bohmian mechanics contradicts quantum mechanics  

E-Print Network (OSTI)

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

Neumaier, Arnold

5

QUICK QUANTUM MECHANICS ---Introduction ---  

E-Print Network (OSTI)

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

Jackson, Andrew D.

6

Testing quantum mechanics  

E-Print Network (OSTI)

As experiments continue to push the quantum-classical boundary to include increasingly complex dynamical systems, the interpretation of experimental data becomes more and more challenging: when the observations are noisy, indirect, and limited, how can we be sure that we are observing quantum behavior? This tutorial highlights some of the difficulties in such experimental tests of quantum mechanics, using optomechanics as the central example, and discusses how the issues can be resolved using techniques from statistics and insights from quantum information theory.

Mankei Tsang

2013-06-12T23:59:59.000Z

7

Quantum Statistical Mechanics and Quantum Computation  

E-Print Network (OSTI)

Quantum Statistical Mechanics and Quantum Computation 22-23 March 2012 Room 111, Jadwin Hall, focused meeting to explore the intersection between quantum statistical mechanics and quantum computation, specifically quantum complexity theory. Advances in complexity theory have interesting implications for physics

8

Quantum Mechanics Without Observers  

E-Print Network (OSTI)

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.

W. H. Sulis

2013-02-18T23:59:59.000Z

9

Is quantum mechanics exact?  

SciTech Connect

We formulate physically motivated axioms for a physical theory which for systems with a finite number of degrees of freedom uniquely lead to quantum mechanics as the only nontrivial consistent theory. Complex numbers and the existence of the Planck constant common to all systems arise naturally in this approach. The axioms are divided into two groups covering kinematics and basic measurement theory, respectively. We show that even if the second group of axioms is dropped, there are no deformations of quantum mechanics which preserve the kinematic axioms. Thus, any theory going beyond quantum mechanics must represent a radical departure from the usual a priori assumptions about the laws of nature.

Kapustin, Anton [California Institute of Technology, Pasadena, California 91125 (United States)] [California Institute of Technology, Pasadena, California 91125 (United States)

2013-06-15T23:59:59.000Z

10

Quantum Mechanics and Black Holes  

E-Print Network (OSTI)

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.

Jose N. Pecina-Cruz

2005-11-11T23:59:59.000Z

11

Fractals and quantum mechanics  

Science Conference Proceedings (OSTI)

A new application of a fractal concept to quantum physics has been developed. The fractional path integrals over the paths of the Lévy flights are defined. It is shown that if fractality of the Brownian trajectories leads to standard quantum mechanics

Nick Laskin

2000-01-01T23:59:59.000Z

12

TRANSIENT QUANTUM MECHANICAL PROCESSES  

SciTech Connect

Our principal objective has centered on the development of sophisticated computational techniques to solve the time-dependent Schroedinger equation that governs the evolution of quantum mechanical systems. We have perfected two complementary methods, discrete variable representation and real space product formula, that show great promise in solving these complicated temporal problems. We have applied these methods to the interaction of laser light with molecules with the intent of not only investigating the basic mechanisms but also devising schemes for actually controlling the outcome of microscopic processes. Lasers now exist that produce pulses of such short duration as to probe a molecular process many times within its characteristic period--allowing the actual observation of an evolving quantum mechanical system. We have studied the potassium dimer as an example and found agreement with experimental changes in the intermediate state populations as a function of laser frequency--a simple control prescription. We have also employed elaborate quantum chemistry programs to improve the accuracy of basic input such as bound-bound and bound-free coupling moments. These techniques have far-ranging applicability; for example, to trapped quantum systems at very low temperatures such as Bose-Einstein condensates.

L. COLLINS; J. KRESS; R. WALKER

1999-07-01T23:59:59.000Z

13

On Randomness in Quantum Mechanics  

E-Print Network (OSTI)

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.

Alberto C. de la Torre

2007-07-19T23:59:59.000Z

14

Some topics in thermodynamics and quantum mechanics  

E-Print Network (OSTI)

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

Robert Carroll

2012-10-29T23:59:59.000Z

15

Quantum Mechanics and Representation Theory Columbia University  

E-Print Network (OSTI)

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

Woit, Peter

16

129 Lecture Notes Relativistic Quantum Mechanics  

E-Print Network (OSTI)

129 Lecture Notes Relativistic Quantum Mechanics 1 Need for Relativistic Quantum Mechanics's equation of motion in mechanics. The initial condtions to solve the Newton's equation of motion

Murayama, Hitoshi

17

On a New Form of Quantum Mechanics  

E-Print Network (OSTI)

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

N. N. Gorobey; A. S. Lukyanenko

2008-07-22T23:59:59.000Z

18

Quantum information in a nutshell () Quantum mechanics + information science  

E-Print Network (OSTI)

Quantum information in a nutshell (�²¤¶) Quantum mechanics + information science = quantum information science = quantum information transfer + quantum algorithm (software) + quantum computer (hardware) + quantum simulation +... = a field rapidly growing in the last 10 years ®v½d¤j¾�ª«²z¨t ±i©ú-õ #12;Brief

Chang, Ming-Che

19

Scattering Relativity in Quantum Mechanics  

E-Print Network (OSTI)

Transforming from one reference frame to another yields an equivalent physical description. If quantum fields are transformed one way and quantum states transformed a different way then the physics changes. We show how to use the resulting changed physical description to obtain the equations of motion of charged, massive particles in electromagnetic and gravitational fields. The derivation is based entirely on special relativity and quantum mechanics.

Richard Shurtleff

2011-08-09T23:59:59.000Z

20

Communication: Quantum mechanics without wavefunctions  

SciTech Connect

We present a self-contained formulation of spin-free non-relativistic quantum mechanics that makes no use of wavefunctions or complex amplitudes of any kind. Quantum states are represented as ensembles of real-valued quantum trajectories, obtained by extremizing an action and satisfying energy conservation. The theory applies for arbitrary configuration spaces and system dimensionalities. Various beneficial ramifications--theoretical, computational, and interpretational--are discussed.

Schiff, Jeremy [Department of Mathematics, Bar-Ilan University, Ramat Gan 52900 (Israel); Poirier, Bill [Department of Chemistry and Biochemistry, Texas Tech University, Box 41061, Lubbock, Texas 79409-1061 (United States) and Department of Physics, Texas Tech University, Box 41051, Lubbock, Texas 79409-1051 (United States)

2012-01-21T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

Student understanding of quantum mechanics  

Science Conference Proceedings (OSTI)

We investigate the difficulties of advanced undergraduate students toward the end of a full year upper-level quantum mechanics course with concepts related to quantum measurements and time development. Our analysis is based upon a test administered to 89 students from six universities and interviews with 9 students. Strikingly

Chandralekha Singh

2001-01-01T23:59:59.000Z

22

The Interpretation of Quantum Mechanics  

E-Print Network (OSTI)

In this paper, we demonstrate how the interpretation of quantum mechanics due to Land\\'e resolves the Schr\\"odinger cat paradox and disposes of the problem of wave function collapse.

H. V. Mweene

2004-11-09T23:59:59.000Z

23

Hyper-Hamiltonian quantum mechanics  

E-Print Network (OSTI)

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.

Vladimir Trifonov

2006-03-02T23:59:59.000Z

24

Free will and quantum mechanics  

E-Print Network (OSTI)

A simple example is provided showing that violation of free will allows to reproduce the quantum mechanical predictions, and that the Clauser-Horne parameter can take the maximum value 4 for a proper choice.

Antonio Di Lorenzo

2011-05-05T23:59:59.000Z

25

Quantum mechanical Universal constructor  

E-Print Network (OSTI)

Arbitrary quantum states cannot be copied. In fact, to make a copy we must provide complete information about the system. However, can a quantum system self-replicate? This is not answered by the no-cloning theorem. In the classical context, Von Neumann showed that a `universal constructor' can exist which can self-replicate an arbitrary system, provided that it had access to instructions for making copy of the system. We question the existence of a universal constructor that may allow for the self-replication of an arbitrary quantum system. We prove that there is no deterministic universal quantum constructor which can operate with finite resources. Further, we delineate conditions under which such a universal constructor can be designed to operate dterministically and probabilistically.

Pati, A K; Pati, Arun K.; Braunstein, Samuel L.

2003-01-01T23:59:59.000Z

26

Quantum mechanical Universal constructor  

E-Print Network (OSTI)

Arbitrary quantum states cannot be copied. In fact, to make a copy we must provide complete information about the system. However, can a quantum system self-replicate? This is not answered by the no-cloning theorem. In the classical context, Von Neumann showed that a `universal constructor' can exist which can self-replicate an arbitrary system, provided that it had access to instructions for making copy of the system. We question the existence of a universal constructor that may allow for the self-replication of an arbitrary quantum system. We prove that there is no deterministic universal quantum constructor which can operate with finite resources. Further, we delineate conditions under which such a universal constructor can be designed to operate dterministically and probabilistically.

Arun K. Pati; Samuel L. Braunstein

2003-03-19T23:59:59.000Z

27

From Quantum Mechanics to String Theory  

E-Print Network (OSTI)

From Quantum Mechanics to String Theory Relativity (why it makes sense) Quantum mechanics, 2009 #12;Quantum Mechanics: Measurement and Uncertainty Thursday, May 7, 2009 #12;Puzzle: The Stern it. Quantum mechanics understanding: the particle exists in a state without definite position

28

Graduate quantum mechanics reform  

Science Conference Proceedings (OSTI)

We address four main areas in which graduatequantum mechanics education can be improved: course content

L. D. Carr; S. B. McKagan

2009-01-01T23:59:59.000Z

29

Quantum mechanics needs no interpretation  

E-Print Network (OSTI)

Probabilistic description of results of measurements and its consequences for understanding quantum mechanics are discussed. It is shown that the basic mathematical structure of quantum mechanics like the probability amplitude, Born rule, probability density current, commutation relations, momentum operator, uncertainty relations, rules for including the scalar and vector potentials and existence of antiparticles can be derived from the definition of the mean values of the space coordinates and time. Equations of motion of quantum mechanics, the Klein-Gordon equation, Schroedinger equation and Dirac equation are obtained from requirement of the relativistic invariance of the theory. Limit case of localized probability densities leads to the Hamilton-Jacobi equation of classical mechanics. Many particle systems are also discussed.

L. Skala; V. Kapsa

2004-12-22T23:59:59.000Z

30

Bohmian Mechanics and Quantum Information  

E-Print Network (OSTI)

Many recent results suggest that quantum theory is about information, and that quantum theory is best understood as arising from principles concerning information and information processing. At the same time, by far the simplest version of quantum mechanics, Bohmian mechanics, is concerned, not with information but with the behavior of an objective microscopic reality given by particles and their positions. What I would like to do here is to examine whether, and to what extent, the importance of information, observation, and the like in quantum theory can be understood from a Bohmian perspective. I would like to explore the hypothesis that the idea that information plays a special role in physics naturally emerges in a Bohmian universe.

Sheldon Goldstein

2009-07-14T23:59:59.000Z

31

Quantum Statistical Mechanics and Quantum Computation Thursday, 22 March 2012  

E-Print Network (OSTI)

Quantum Statistical Mechanics and Quantum Computation Thursday, 22 March 2012 8:50 am Welcoming:30 ­ 5:30 "Criticality without frustration for quantum spin-1 chains" Sergey Bravyi 6:30 pm Dinner at Triumph Brewery 138 Nassau Street Princeton, NJ 08542 609-924-7855 Quantum Statistical Mechanics

32

221B Lecture Notes Relativistic Quantum Mechanics  

E-Print Network (OSTI)

221B Lecture Notes Relativistic Quantum Mechanics 1 Need for Relativistic Quantum Mechanics We, similarly to the Newton's equation of motion in mechanics. The initial condtions to solve the Newton

Murayama, Hitoshi

33

221B Lecture Notes Relativistic Quantum Mechanics  

E-Print Network (OSTI)

221B Lecture Notes Relativistic Quantum Mechanics 1 Need for Relativistic Quantum Mechanics We's equation of motion in mechanics. The initial condtions to solve the Newton's equation of motion

Murayama, Hitoshi

34

THE OBJECTIVE INDEFINITENESS INTERPRETATION OF QUANTUM MECHANICS: Partition logic, logical information theory, and quantum mechanics  

E-Print Network (OSTI)

THE OBJECTIVE INDEFINITENESS INTERPRETATION OF QUANTUM MECHANICS: Partition logic, logical information theory, and quantum mechanics David Ellerman University of California at Riverside www ago that quantum mechanics was not compatible with Boolean logic, then the natural thing to do would

Wüthrich, Christian

35

Propagators in Nonrelativistic Quantum Mechanics  

Science Conference Proceedings (OSTI)

A discussion of propagators (Green's functions) and methods for calculating them for the simplest systems in nonrelativistic quantum mechanics is given from several points of view. The relevance of such techniques to partition function calculations is pointed out. Finally

Laurent A. Beauregard

1966-01-01T23:59:59.000Z

36

From Quantum Mechanics to String Theory  

E-Print Network (OSTI)

From Quantum Mechanics to String Theory Relativity (why it makes sense) Quantum mechanics) New Particles anti-particles (combining special relativity and quantum mechanics pions (mediator mechanics, implies an infinite tower of negative energy states, rather than a ground state suppose

37

From Quantum Mechanics to String Theory  

E-Print Network (OSTI)

From Quantum Mechanics to String Theory Relativity (why it makes sense) Quantum mechanics Extra Dimensions Strings and the Strong Force Thursday, June 4, 2009 #12;The Higgs Mechanism Summary Mechanical Particle Physics General Relativistic Quantum Gravity increasing speed decreasing size increasing

38

Probable Inference and Quantum Mechanics  

SciTech Connect

In its current very successful interpretation the quantum theory is fundamentally statistical in nature. Although commonly viewed as a probability amplitude whose (complex) square is a probability, the wavefunction or state vector continues to defy consensus as to its exact meaning, primarily because it is not a physical observable. Rather than approach this problem directly, it is suggested that it is first necessary to clarify the precise role of probability theory in quantum mechanics, either as applied to, or as an intrinsic part of the quantum theory. When all is said and done the unsurprising conclusion is that quantum mechanics does not constitute a logic and probability unto itself, but adheres to the long-established rules of classical probability theory while providing a means within itself for calculating the relevant probabilities. In addition, the wavefunction is seen to be a description of the quantum state assigned by an observer based on definite information, such that the same state must be assigned by any other observer based on the same information, in much the same way that probabilities are assigned.

Grandy, W. T. Jr. [Department of Physics and Astronomy, University of Wyoming, Laramie, WY 82070 (United States)

2009-12-08T23:59:59.000Z

39

Effective equations for the quantum pendulum from momentous quantum mechanics  

SciTech Connect

In this work we study the quantum pendulum within the framework of momentous quantum mechanics. This description replaces the Schroedinger equation for the quantum evolution of the system with an infinite set of classical equations for expectation values of configuration variables, and quantum dispersions. We solve numerically the effective equations up to the second order, and describe its evolution.

Hernandez, Hector H.; Chacon-Acosta, Guillermo [Universidad Autonoma de Chihuahua, Facultad de Ingenieria, Nuevo Campus Universitario, Chihuahua 31125 (Mexico); Departamento de Matematicas Aplicadas y Sistemas, Universidad Autonoma Metropolitana-Cuajimalpa, Artificios 40, Mexico D. F. 01120 (Mexico)

2012-08-24T23:59:59.000Z

40

MiniDFT  

NLE Websites -- All DOE Office Websites (Extended Search)

MiniDFT MiniDFT MiniDFT Description MiniDFT is a plane-wave denstity functional theory (DFT) mini-app for modeling materials. Given an set of atomic coordinates and pseudopotentials, MiniDFT computes self-consistent solutions of the Kohn-Sham equations using either the LDA or PBE exchange-correlation functionals. For each iteration of the self-consistent field cycle, the Fock matrix is constructed and then diagonalized. To build the Fock matrix, Fast Fourier Transforms are used to tranform orbitals from the plane wave basis ( where the kinetic energy is most readily compted ) to real space (where the potential is evaluated ) and back. Davidson diagonalization is used to compute the orbital energies and update the orbital coefficients. The MiniDFT mini-app was excised from the general-purpose Quantum Espresso

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

Star Products for Relativistic Quantum Mechanics  

E-Print Network (OSTI)

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.

P. Henselder

2007-05-24T23:59:59.000Z

42

Starting from Quantum Mechanics - Programmaster.org  

Science Conference Proceedings (OSTI)

Computational Modeling and Simulation of Advanced Materials for Energy Applications: Starting from Quantum Mechanics Sponsored by: TMS/ASM: ...

43

A Criterion for Holism in Quantum Mechanics  

E-Print Network (OSTI)

A Criterion for Holism in Quantum Mechanics M.P Seevinck E-mail: M.P.Seevinck@phys.uu.nl Utrecht University, The Netherlands, August 2003. 1 #12; Motivation · The question whether or not quantum mechanics is it that makes quantum mechanics a holistic theory (if so), and other physical theories not (if so). · I propose

Seevinck, Michiel

44

Probability in modal interpretations of quantum mechanics  

E-Print Network (OSTI)

Probability in modal interpretations of quantum mechanics Dennis Dieks Institute for the History interpretations have the ambition to construe quantum mechanics as an ob- jective, man-independent description of physical reality. Their second leading idea is probabilism: quantum mechanics does not completely fix

Seevinck, Michiel

45

Conceptual Development of Quantum Mechanics: Experiences with the Visual Quantum Mechanics Materials*  

E-Print Network (OSTI)

Conceptual Development of Quantum Mechanics: Experiences with the Visual Quantum Mechanics using a portion of the materials developed by the Visual Quantum Mechanics (VQM) project1 as part of our recent efforts to investigate student understanding of basic quantum mechanics concepts. The VQM

Larkin, Teresa L.

46

On reconciling quantum mechanics and local realism  

E-Print Network (OSTI)

A necessary and natural change in our application of quantum mechanics to separated systems is shown to reconcile quantum mechanics and local realism. An analysis of separation and localization justifies the proposed change in application of quantum mechanics. An important EPRB experiment is reconsidered and it is seen that when it is correctly interpreted it supports local realism. This reconciliation of quantum mechanics with local realism allows the axiom sets of quantum mechanics, probability, and special relativity to be joined in a consistent global axiom set for physics.

Donald A. Graft

2013-09-04T23:59:59.000Z

47

Quantum Mechanics: Structures, Axioms and Paradoxes  

E-Print Network (OSTI)

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 that have been obtained during the last two decades by investigations in the field of `quantum structures re

Aerts, Diederik

48

Errors and paradoxes in quantum mechanics  

E-Print Network (OSTI)

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

D. Rohrlich

2007-08-28T23:59:59.000Z

49

Quantum Mechanics Joachim Burgdorfer and Stefan Rotter  

E-Print Network (OSTI)

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

Rotter, Stefan

50

A Criterion for Holism in Quantum Mechanics  

E-Print Network (OSTI)

A Criterion for Holism in Quantum Mechanics M.P Seevinck Utrecht University, The Netherlands, June 2003. 1 #12; Motivation · The question whether or not quantum mechanics (QM) gives rise to some mechanics a holistic theory (if so), and other physical theories not (if so). · I propose an operational

Seevinck, Michiel

51

A Criterion for Holism in Quantum Mechanics  

E-Print Network (OSTI)

A Criterion for Holism in Quantum Mechanics # M.P Seevinck # # Utrecht University, The Netherlands, June 2003. # 1 #12; # Motivation # . The question whether or not quantum mechanics (QM) gives rise mechanics a holistic theory (if so), and other physical theories not (if so). . I propose an operational

Seevinck, Michiel

52

Quantum mechanical scoring for protein docking  

Science Conference Proceedings (OSTI)

We develop a docking protocol based on quantum mechanical/molecular mechanical calculations in which quantum mechanical energy is used as scoring. We test the protocol with three groups of examples with various binding site characteristics. The new docking method performs as well as or better than conventional docking methods in all three groups. In particular

Art E. Cho; Jae Yoon Chung

2009-01-01T23:59:59.000Z

53

Quantum Mechanics and Closed Timelike Curves  

E-Print Network (OSTI)

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.

Florin Moldoveanu

2007-04-23T23:59:59.000Z

54

Bohmian particle trajectories contradict quantum mechanics  

E-Print Network (OSTI)

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.

Michael Zirpel

2009-03-23T23:59:59.000Z

55

Deformed Geometric Algebra and Supersymmetric Quantum Mechanics  

E-Print Network (OSTI)

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.

Peter Henselder

2006-09-09T23:59:59.000Z

56

Entanglement in GaAs and CdSe quantum dots: Exact calculations and DFT approximations  

Science Conference Proceedings (OSTI)

We consider two electrons confined in spherical GaAs and CdSe quantum dots and calculate their ground-state spatial entanglement exactly within a parabolic confinement model. We propose a perturbative scheme to approximate the above entanglement within ... Keywords: Density-functional theory, Entanglement, Quantum dots, Quantum information, Semiconductors

J. P. Coe; A. Sudbery; I. D'Amico

2009-03-01T23:59:59.000Z

57

Quantum Mechanics Dung-Hai Lee  

E-Print Network (OSTI)

Quantum Mechanics Dung-Hai Lee Summer 2000 #12;Contents 1 A brief reminder of linear Algebra 3 1.5 Bell's inequality . . . . . . . . . . . . . . . . . . . . . . . 20 3 Quantum dynamics 23 3 . . . . . . . . . . . . . . . . . . . 43 3.12 Classical approximation . . . . . . . . . . . . . . . . . . 45 3.13 Quantum statistical

Murayama, Hitoshi

58

PERSPECTIVE Quantum Mechanics of Black Holes  

E-Print Network (OSTI)

PERSPECTIVE Quantum Mechanics of Black Holes Edward Witten The popular conception of black holes reflects the behavior of the massive black holes found by astronomers and described by classical general to understand the behavior of black holes from a quantum mechanical point of view, however, have arrived

59

A new stochastic interpretation of quantum mechanics  

E-Print Network (OSTI)

The reinterpretation of quantum mechanical formalism in terms of a classical model with a continuous material "$\\Psi$-field" acting upon a point-like particle which is subjected to large friction and random forces is proposed. This model gives a mechanism for sudden "quantum jumps" and provides a simple explanation of "Schrödinger Cat" phenomena.

Alicki, R

1997-01-01T23:59:59.000Z

60

A new stochastic interpretation of quantum mechanics  

E-Print Network (OSTI)

The reinterpretation of quantum mechanical formalism in terms of a classical model with a continuous material "$\\Psi$-field" acting upon a point-like particle which is subjected to large friction and random forces is proposed. This model gives a mechanism for sudden "quantum jumps" and provides a simple explanation of "Schr\\"odinger Cat" phenomena.

Robert Alicki

1997-11-24T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


61

Scaling the RMG quantum mechanics code  

Science Conference Proceedings (OSTI)

In this paper, we describe parallelization and optimizations of the RMG quantum mechanics code to achieve scaling to over a hundred thousand cores. The parallelization uses a combination of message passing and threads. Further speedups have been attained ... Keywords: nanoscience, nanotechnology, performance analysis, quantum mechanics, scalability

Shirley Moore; Emil Briggs; Miroslav Hodak; Wenchang Lu; Jerry Bernholc; Chee-Wai Lee

2012-07-01T23:59:59.000Z

62

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

E-Print Network (OSTI)

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.

Aalok Pandya

2008-09-08T23:59:59.000Z

63

A Quantum Mechanical Travelling Salesman  

E-Print Network (OSTI)

A quantum simulation of a travelling salesman is described. A vector space for a graph is defined together with a sequence of operators which transform a special initial state into a superposition states representing Hamiltonian tours. The quantum amplitude for any tour is a function of the classical cost of travelling along the edges in that tour. Tours with the largest quantum amplitude may be different than those with the smallest classically-computed cost.

Ravindra N. Rao

2011-08-23T23:59:59.000Z

64

Strange Bedfellows: Quantum Mechanics and Data Mining  

SciTech Connect

Last year, in 2008, I gave a talk titled 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.

Weinstein, Marvin; /SLAC

2009-12-16T23:59:59.000Z

65

Canonical distribution and incompleteness of quantum mechanics  

E-Print Network (OSTI)

The paper discusses the physical groundlessness of the models used for the derivation of canonical distribution and provides the experimental data demonstrating the incompleteness of quantum mechanics. The possibility of using statistical ensembles is presented as a consequence of the existence of probabilistic processes which are not accounted for by quantum mechanics. The paper provides a new analytical derivation of canonical distribution for macrosystems which takes into account subquantum processes. The paper discusses the possibility of the experimental study of a probability which is beyond quantum mechanics.

V. A. Skrebnev

2012-01-04T23:59:59.000Z

66

Four-dimensional understanding of quantum mechanics  

E-Print Network (OSTI)

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.

Jarek Duda

2009-10-14T23:59:59.000Z

67

A new introductory quantum mechanics curriculum  

E-Print Network (OSTI)

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 ...

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

2013-01-01T23:59:59.000Z

68

Quantum Mechanics and the Generalized Uncertainty Principle  

E-Print Network (OSTI)

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.

Jang Young Bang; Micheal S. Berger

2006-10-11T23:59:59.000Z

69

Quantum Mechanics and Multiply Connected Spaces  

E-Print Network (OSTI)

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.

B. G. Sidharth

2006-05-16T23:59:59.000Z

70

On a New Form of Quantum Mechanics (II)  

E-Print Network (OSTI)

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.

N. Gorobey; A. Lukyanenko; I. Lukyanenko

2009-12-16T23:59:59.000Z

71

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

72

Nonequilibrium quantum statistical mechanics and thermodynamics  

E-Print Network (OSTI)

The purpose of this work is to discuss recent progress in deriving the fundamental laws of thermodynamics (0th, 1st and 2nd-law) from nonequilibrium quantum statistical mechanics. Basic thermodynamic notions are clarified and different reversible and irreversible thermodynamic processes are studied from the point of view of quantum statistical mechanics. Special emphasis is put on new adiabatic theorems for steady states close to and far from equilibrium, and on investigating cyclic thermodynamic processes using an extension of Floquet theory.

Walid K. Abou Salem

2006-01-23T23:59:59.000Z

73

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

E-Print Network (OSTI)

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.

Aalok Pandya

2009-01-19T23:59:59.000Z

74

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

75

Quantum mechanics as "space-time statistical mechanics"?  

E-Print Network (OSTI)

In this paper we discuss and analyse the idea of trying to see (non-relativistic) quantum mechanics as a ``space-time statistical mechanics'', by using the classical statistical mechanical method on objective microscopic space-time configurations. It is argued that this could perhaps be accomplished by giving up the assumption that the objective ``state'' of a system is independent of a future measurement performed on the system. This idea is then applied in an example of quantum state estimation on a qubit system.

Anders Månsson

2005-01-24T23:59:59.000Z

76

A symmetrical theory of nonrelativistic quantum mechanics  

E-Print Network (OSTI)

This paper presents a new Symmetrical Theory (ST) of nonrelativistic quantum mechanics which postulates: quantum mechanics is a theory about complete experiments, not particles; a complete experiment is maximally described by a complex transition amplitude density; and this transition amplitude density never collapses. This new ST is compared to the Conventional Theory (CT) of nonrelativistic quantum mechanics for the analysis of a beam-splitter experiment. The ST makes several experimentally testable predictions that differ from the CT, which can be checked using existing technology. The ST also solves one part of the CT measurement problem, and resolves some of the paradoxes of the CT. This nonrelativistic ST is the low energy limit of a relativistic ST presented in an earlier paper \\cite{Heaney1}.

Michael B. Heaney

2013-10-20T23:59:59.000Z

77

NONEQUILIBRIUM QUANTUM STATISTICAL MECHANICS AND THERMODYNAMICS ?  

E-Print Network (OSTI)

The purpose of this work is to discuss recent progress in deriving the fundamental laws of thermodynamics (0 th, 1 st and 2 nd-law) from nonequilibrium quantum statistical mechanics. Basic thermodynamic notions are clarified and different reversible and irreversible thermodynamic processes are studied from the point of view of quantum statistical mechanics. Special emphasis is put on new adiabatic theorems for steady states close to and far from equilibrium, and on investigating cyclic thermodynamic processes using an extension of Floquet theory. This work is based on the author’s doctoral thesis, ETH-Diss 16187.

Walid K. Abou Salem

2006-01-01T23:59:59.000Z

78

Surveying Students’ Understanding of Quantum Mechanics  

Science Conference Proceedings (OSTI)

Development of research?based multiple?choice tests about quantum mechanics is important for assessing students’ difficulties and for evaluating curricula and pedagogies that strive to reduce the difficulties. We explore the difficulties that the undergraduate and graduate students have with non?relativistic quantum mechanics of one particle in one spatial dimension. We developed a research?based conceptual multiple?choice survey that targets these issues to obtain information about the common difficulties and administered it to more than a hundred students from seven different institutions. The issues targeted in the survey include the set of possible wavefunctions

Chandralekha Singh; Guangtian Zhu

2010-01-01T23:59:59.000Z

79

Quantum mechanics of time travel through post-selected teleportation  

E-Print Network (OSTI)

This paper discusses the quantum mechanics of closed-timelike curves (CTCs) and of other potential methods for time travel. We analyze a specific proposal for such quantum time travel, the quantum description of CTCs based ...

Maccone, Lorenzo

80

Is Quantum Mechanics needed to explain consciousness ?  

E-Print Network (OSTI)

In this short comment to a recent contribution by E. Manousakis [1] it is argued that the reported agreement between the measured time evolution of conscious states during binocular rivalry and predictions derived from quantum mechanical formalisms does not require any direct effect of QM. The recursive consumption analysis process in the Ouroboros Model can yield the same behavior.

Knud Thomsen

2007-11-13T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


81

On Quantum Mechanical Aspects of Microtubules  

E-Print Network (OSTI)

We discuss possible quantum mechanical aspects of MicroTubules (MT), based on recent developments in quantum physics.We focus on potential mechanisms for `energy-loss-free' transport along the microtubules, which could be considered as realizations of Fröhlich's ideas on the rôle of solitons for superconductivity and/or biological matter. By representing the MT arrangements as cavities, we present a novel scenario on the formation of macroscopic (or mesoscopic) quantum-coherent states, as a result of the (quantum-electromagnetic) interactions of the MT dimers with the surrounding molecules of the ordered water in the interior of the MT cylinders. We suggest specific experiments to test the above-conjectured quantum nature of the microtubular arrangements inside the cell. These experiments are similar in nature to those in atomic physics, used in the detection of the Rabi-Vacuum coupling between coherent cavity modes and atoms. Our conjecture is that a similar Rabi-Vacuum-splitting phenomenon occurs in the M...

Mavromatos, Nikolaos E

1997-01-01T23:59:59.000Z

82

On Quantum Mechanical Aspects of Microtubules  

E-Print Network (OSTI)

We discuss possible quantum mechanical aspects of MicroTubules (MT), based on recent developments in quantum physics.We focus on potential mechanisms for `energy-loss-free' transport along the microtubules, which could be considered as realizations of Fr\\"ohlich's ideas on the r\\^ole of solitons for superconductivity and/or biological matter. By representing the MT arrangements as cavities,we present a novel scenario on the formation of macroscopic (or mesoscopic) quantum-coherent states, as a result of the (quantum-electromagnetic) interactions of the MT dimers with the surrounding molecules of the ordered water in the interior of the MT cylinders. We suggest specific experiments to test the above-conjectured quantum nature of the microtubular arrangements inside the cell. These experiments are similar in nature to those in atomic physics, used in the detection of the Rabi-Vacuum coupling between coherent cavity modes and atoms. Our conjecture is that a similar Rabi-Vacuum-splitting phenomenon occurs in the MT case.

N. E. Mavromatos; D. V. Nanopoulos

1997-08-01T23:59:59.000Z

83

Integral Transforms in Relativistic Quantum Constraint Mechanics  

E-Print Network (OSTI)

In relativistic quantum constraint mechanics the state of a physical system is constrained to a 3-dimensional subspace of Minkowski 4-space. Fourier transformation can be used to relate this state between constraint spaces in 4-position and 4-momentum space. It is shown that integral transforms of this nature can be carried out using Lorentz-invariant 3-dimensional constraint space coordinates such that a complete equivalence class of 4-space representations can be constructed from the transform. This method is further applied to develop a relativistic generalization of the Segal-Bargmann transformation that leads to the representation of quantum systems in a three-dimensional subspace of Bargmann 4-space.

Robert J. Ducharme

2011-01-29T23:59:59.000Z

84

Emergence of Quantum Mechanics from a Sub-Quantum Statistical Mechanics  

E-Print Network (OSTI)

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.

Gerhard Groessing

2013-04-12T23:59:59.000Z

85

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

E-Print Network (OSTI)

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

Stapp, Henry P

2008-01-01T23:59:59.000Z

86

PERTURBATION-THEORY RULES FOR COMPUTING THE SELF-ENERGY OPERATOR IN QUANTUM STATISTICAL MECHANICS  

E-Print Network (OSTI)

D. J. Thouless, The Quantum Mechanics of Many-Body Systems (1962). Ba~n, Quantum Statistical Mechanics (Benjamin, I. E.IN QUANTUM STATISTICAL MECHANICS Berkeley, California

Baym, Gordon

2008-01-01T23:59:59.000Z

87

The Particle Adventure | What holds it together? | Quantum mechanics  

NLE Websites -- All DOE Office Websites (Extended Search)

Quantum mechanics Quantum mechanics One of the surprises of modern science is that atoms and sub-atomic particles do not behave like anything we see in the everyday world. They are...

88

Quantum Mechanics Evaluation of Solid Oxide Fuel Cell Cathode ...  

Science Conference Proceedings (OSTI)

About this Abstract. Meeting, Materials Science & Technology 2011. Symposium, Energy Conversion/Fuel Cells. Presentation Title, Quantum Mechanics ...

89

The Objective Inde...niteness Interpretation of Quantum Mechanics  

E-Print Network (OSTI)

The Objective Inde...niteness Interpretation of Quantum Mechanics David Ellerman University of California at Riverside Draft (not for quotation) May 28, 2013 Abstract Quantum mechanics (QM models indef- inite elements that become more de...nite as distinctions are made. If quantum mechanics

Wüthrich, Christian

90

Physical Interpretations of Nilpotent Quantum Mechanics  

E-Print Network (OSTI)

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.

Peter Rowlands

2010-04-09T23:59:59.000Z

91

Avoiding Negative Probabilities in Quantum Mechanics  

E-Print Network (OSTI)

As currently understood since its discovery, the bare Klein-Gordon theory consists of negative quantum probabilities which are considered to be physically meaningless if not outright obsolete. Despite this annoying setback, these negative probabilities are what led the great Paul Dirac in 1928 to the esoteric discovery of the Dirac Equation. The Dirac Equation led to one of the greatest advances in our understanding of the physical world. In this reading, we ask the seemingly senseless question, "Do negative probabilities exist in quantum mechanics?" In an effort to answer this question, we arrive at the conclusion that depending on the choice one makes of the quantum probability current, one will obtain negative probabilities. We thus propose a new quantum probability current of the Klein-Gordon theory. This quantum probability current leads directly to positive definite quantum probabilities. Because these negative probabilities are in the bare Klein-Gordon theory, intrinsically a result of negative energies, the fact that we here arrive at a theory with positive probabilities, means that negative energy particles are not to be considered problematic as is the case in the bare Klein-Gordon theory. From an abstract-objective stand-point; in comparison with positive energy particles, the corollary is that negative energy particles should have equal chances to exist. As to why these negative energy particles do not exist, this is analogous to asking why is it that Dirac's antimatter does not exist in equal proportions with matter. This problem of why negative energy particles do not exist in equal proportions with positive energy particles is a problem that needs to be solved by a future theory.

Golden Gadzirayi Nyambuya

2013-08-15T23:59:59.000Z

92

Hunting for Snarks in Quantum Mechanics  

SciTech Connect

A long-standing debate over the interpretation of quantum mechanics has centered on the meaning of Schroedinger's wave function {psi} for an electron. Broadly speaking, there are two major opposing schools. On the one side, the Copenhagen school(led by Bohr, Heisenberg and Pauli) holds that {psi} provides a complete description of a single electron state; hence the probability interpretation of {psi}{psi}* expresses an irreducible uncertainty in electron behavior that is intrinsic in nature. On the other side, the realist school(led by Einstein, de Broglie, Bohm and Jaynes) holds that {psi} represents a statistical ensemble of possible electron states; hence it is an incomplete description of a single electron state. I contend that the debaters have overlooked crucial facts about the electron revealed by Dirac theory. In particular, analysis of electron zitterbewegung(first noticed by Schroedinger) opens a window to particle substructure in quantum mechanics that explains the physical significance of the complex phase factor in {psi}. This led to a testable model for particle substructure with surprising support by recent experimental evidence. If the explanation is upheld by further research, it will resolve the debate in favor of the realist school. I give details. The perils of research on the foundations of quantum mechanics have been foreseen by Lewis Carroll in The Hunting of the Snark{exclamation_point}.

Hestenes, David [Physics Department, Arizona State University, Tempe, Arizona 85287 (United States)

2009-12-08T23:59:59.000Z

93

References - symmetrization postulate of quantum mechanics  

Science Conference Proceedings (OSTI)

... Paul Teller, An Interpretative Introduction to Quantum ... Body Systems, 2nd ed. (Academic Press ... Edward Witten, "Duality, Spacetime and Quantum ...

94

Measurement and Ergodicity in Quantum Mechanics  

E-Print Network (OSTI)

The experimental realization of successive non-demolition measurements on single microscopic systems brings up the question of ergodicity in Quantum Mechanics (QM). We inquire whether time averages over one realization of a single system are related to QM averages over an ensemble of similarly prepared systems. We adopt a generalization of von Neumann model of measurement, coupling the system to $N$ "probes" --with a strength that is at our disposal-- and detecting the latter. The model parallels the procedure followed in experiments on Quantum Electrodynamic cavities. The modification of the probability of the observable eigenvalues due to the coupling to the probes can be computed analytically and the results compare qualitatively well with those obtained numerically by the experimental groups. We find that the problem is not ergodic, except in the case of an eigenstate of the observable being studied.

Mariano Bauer; Pier A. Mello

2013-12-25T23:59:59.000Z

95

Quantum-Mechanical Model of Spacetime  

E-Print Network (OSTI)

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.

Makela, J

2007-01-01T23:59:59.000Z

96

Quantum-Mechanical Model of Spacetime  

E-Print Network (OSTI)

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.

Jarmo Makela

2007-01-24T23:59:59.000Z

97

5.74 Introductory Quantum Mechanics II, Spring 2005  

E-Print Network (OSTI)

Time-dependent quantum mechanics and spectroscopy. Topics covered include perturbation theory, two-level systems, light-matter interactions, relaxation in quantum systems, correlation functions and linear response theory, ...

Tokmakoff, Andrei

98

Quantum-mechanical linear filtering of random signal sequences  

Science Conference Proceedings (OSTI)

The problem of estimating a member of a scalar random signal sequence with quantum-mechanical measurements is considered. The minimum variance linear estimator based on an optimal present quantum measurement and optimal linear processing of past measurements ...

J. Baras; R. Harger; Young Park

1976-01-01T23:59:59.000Z

99

Quantum Mechanics Joachim Burgd orfer and Stefan Rotter  

E-Print Network (OSTI)

1 1 Quantum Mechanics Joachim BurgdË? 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

Rotter, Stefan

100

Relativity and quantum mechanics: Jorgensen revisited  

E-Print Network (OSTI)

We first define the functions which ensure the transformation of momentum and energy of a tardyon, the transformation of the wave vector and the frequency of the associated wave. Having done this, we show that they ensure the relativistic invariance of the quotient between momentum and wave vector and between energy and frequency if the product between particle velocity u and phase velocity w is a relativistic invariant (uw=c^2), a condition which is a natural combination of special relativity theory and quantum mechanics.

Bernhard Rothenstein

2007-03-25T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

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

E-Print Network (OSTI)

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.

Artur Szczepanski

2010-02-08T23:59:59.000Z

102

An Intrusion Detection System Using Quantum- mechanical Systems  

Technology Description A quantum mechanical-based device that detects an intrusion across a physical boundary or communication link. Because common

103

What quantum mechanics is trying to tell us  

Science Conference Proceedings (OSTI)

This article presents a novel interpretation of quantum mechanics. It extends the meaning of “measurement” to include all property-indicating facts. Intrinsically

2000-01-01T23:59:59.000Z

104

Derivation of the coefficient squared probability law in quantum mechanics  

E-Print Network (OSTI)

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.

Casey Blood

2013-06-02T23:59:59.000Z

105

An Intrusion Detection System Using Quantum-Mechanical Systems  

ORNL 2012-G00220/tcc UT-B ID 200701995 10.2012 An Intrusion Detection System Using Quantum-Mechanical Systems Technology Summary Securing property and ...

106

Large Scale Quantum-mechanical Calculations of Proteins, Nanomaterials...  

NLE Websites -- All DOE Office Websites (Extended Search)

Large Scale Quantum-mechanical Calculations of Proteins, Nanomaterials and Other Large Systems Event Sponsor: Leadership Computing Facility Seminar Start Date: Dec 5 2013 - 2:00pm...

107

An efficient method for the calculation of quantum mechanics/molecular mechanics free energies  

Science Conference Proceedings (OSTI)

The combination of quantum mechanics (QM) with molecular mechanics (MM) offers a route to improved accuracy in the study of biological systems

Christopher J. Woods; Frederick R. Manby; Adrian J. Mulholland

2008-01-01T23:59:59.000Z

108

Quantum mechanics as quantum information (and only a little more), Quantum Theory: Reconsideration of Foundations  

E-Print Network (OSTI)

In this paper, I try once again to cause some good-natured trouble. The issue remains, when will we ever stop burdening the taxpayer with conferences devoted to the quantum foundations? The suspicion is expressed that no end will be in sight until a means is found to reduce quantum theory to two or three statements of crisp physical (rather than abstract, axiomatic) significance. In this regard, no tool appears better calibrated for a direct assault than quantum information theory. Far from a strained application of the latest fad to a time-honored problem, this method holds promise precisely because a large part—but not all—of the structure of quantum theory has always concerned information. It is just that the physics community needs reminding. This paper, though takingquant-ph/0106166 as its core, corrects one mistake and offers several observations beyond the previous version. In particular, I identify one element of quantum mechanics that I would not label a subjective term in the theory—it is the integer parameter D traditionally ascribed to a quantum system via its Hilbert-space dimension. 1

Christopher A. Fuchs

2002-01-01T23:59:59.000Z

109

Tampering detection system using quantum-mechanical systems  

DOE Patents (OSTI)

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.

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

2011-12-13T23:59:59.000Z

110

Quantum mechanical evolution towards thermal equilibrium  

E-Print Network (OSTI)

The circumstances under which a system reaches thermal equilibrium, and how to derive this from basic dynamical laws, has been a major question from the very beginning of thermodynamics and statistical mechanics. Despite considerable progress, it remains an open problem. Motivated by this issue, we address the more general question of equilibration. We prove, with virtually full generality, that reaching equilibrium is a universal property of quantum systems: Almost any subsystem in interaction with a large enough bath will reach an equilibrium state and remain close to it for almost all times. We also prove several general results about other aspects of thermalisation besides equilibration, for example, that the equilibrium state does not depend on the detailed micro-state of the bath.

Noah Linden; Sandu Popescu; Anthony J. Short; Andreas Winter

2008-12-12T23:59:59.000Z

111

New methods for quantum mechanical reaction dynamics  

DOE Green Energy (OSTI)

Quantum mechanical methods are developed to describe the dynamics of bimolecular chemical reactions. We focus on developing approaches for directly calculating the desired quantity of interest. Methods for the calculation of single matrix elements of the scattering matrix (S-matrix) and initial state-selected reaction probabilities are presented. This is accomplished by the use of absorbing boundary conditions (ABC) to obtain a localized (L{sup 2}) representation of the outgoing wave scattering Green`s function. This approach enables the efficient calculation of only a single column of the S-matrix with a proportionate savings in effort over the calculation of the entire S-matrix. Applying this method to the calculation of the initial (or final) state-selected reaction probability, a more averaged quantity, requires even less effort than the state-to-state S-matrix elements. It is shown how the same representation of the Green`s function can be effectively applied to the calculation of negative ion photodetachment intensities. Photodetachment spectroscopy of the anion ABC{sup -} can be a very useful method for obtaining detailed information about the neutral ABC potential energy surface, particularly if the ABC{sup -} geometry is similar to the transition state of the neutral ABC. Total and arrangement-selected photodetachment spectra are calculated for the H{sub 3}O{sup -} system, providing information about the potential energy surface for the OH + H{sub 2} reaction when compared with experimental results. Finally, we present methods for the direct calculation of the thermal rate constant from the flux-position and flux-flux correlation functions. The spirit of transition state theory is invoked by concentrating on the short time dynamics in the area around the transition state that determine reactivity. These methods are made efficient by evaluating the required quantum mechanical trace in the basis of eigenstates of the Boltzmannized flux operator.

Thompson, W.H. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley Lab., CA (United States)

1996-12-01T23:59:59.000Z

112

A Causal Net Approach to Relativistic Quantum Mechanics  

E-Print Network (OSTI)

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.

R. D. Bateson

2010-07-14T23:59:59.000Z

113

Environment-Induced Decoherence in Noncommutative Quantum Mechanics  

E-Print Network (OSTI)

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.

Joao Nuno Prata; Nuno Costa Dias

2006-12-02T23:59:59.000Z

114

The Born Rule in Quantum and Classical Mechanics  

E-Print Network (OSTI)

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.

Paul Brumer; Jiangbin Gong

2006-04-24T23:59:59.000Z

115

Efficiency of the general quantum-mechanical Carnot engine  

E-Print Network (OSTI)

A quantum-mechanical analog of the Carnot engine reversibly working at vanishing temperature, shortly termed the quantum-mechanical Carnot engine, is discussed. A general formula for the efficiency of such an engine with an arbitrary confining potential is presented. Its expression is purely given in terms of the structure of the energy spectrum. Dependency of the efficiency on the form of a potential as an analog of the working material in thermodynamics implies nonuniversality of the engine. This may be due to the absence of the second-law-like principle in pure-state quantum mechanics.

Sumiyoshi Abe

2012-08-10T23:59:59.000Z

116

24.111 Philosophy of Quantum Mechanics, Spring 2002  

E-Print Network (OSTI)

Quantum mechanics is said to describe a world in which physical objects often lack "definite" properties, indeterminism creeps in at the point of "observation," ordinary logic does not apply, and distant events are perfectly ...

Hall, Edward J. (Edward Jonathon), 1966-

117

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

SciTech Connect

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.

Lee, Sang-Bong

1993-09-01T23:59:59.000Z

118

Nonlinear coupling of nano mechanical resonators to Josephson quantum circuits  

E-Print Network (OSTI)

We propose a technique to couple the position operator of a nano mechanical resonator to a SQUID device by modulating its magnetic flux bias. By tuning the magnetic field properly, either linear or quadratic couplings can be realized, with a discretely adjustable coupling strength. This provides a way to realize coherent nonlinear effects in a nano mechanical resonator by coupling it to a Josephson quantum circuit. As an example, we show how squeezing of the nano mechanical resonator state can be realized with this technique. We also propose a simple method to measure the uncertainty in the position of the nano mechanical resonator without quantum state tomography.

Xingxiang Zhou; Ari Mizel

2006-05-01T23:59:59.000Z

119

Is quantum mechanics based on an invariance principle?  

E-Print Network (OSTI)

Non-relativistic quantum mechanics for a free particle is shown to emerge from classical mechanics through an invariance principle under transformations that preserve the Heisenberg position-momentum inequality. These transformations are induced by isotropic space dilations. This invariance imposes a change in the laws of classical mechanics that exactly corresponds to the transition to quantum mechanics. The Schroedinger equation appears jointly with a second nonlinear equation describing non-unitary processes. Unitary and non-unitary evolutions are exclusive and appear sequentially in time. The non-unitary equation admits solutions that seem to correspond to the collapse of the wave function.

Leon Brenig

2006-10-27T23:59:59.000Z

120

Bohmian Trajectories as the Foundation of Quantum Mechanics  

E-Print Network (OSTI)

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.

Sheldon Goldstein; Roderich Tumulka; Nino Zanghi

2009-12-14T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


121

Statistical Structures Underlying Quantum Mechanics and Social Science  

E-Print Network (OSTI)

Common observations of the unpredictability of human behavior and the influence of one question on the answer to another suggest social science experiments are probabilistic and may be mutually incompatible with one another, characteristics attributed to quantum mechanics (as distinguished from classical mechanics). This paper examines this superficial similarity in depth using the Foulis-Randall Operational Statistics language. In contradistinction to physics, social science deals with complex, open systems for which the set of possible experiments is unknowable and outcome interference is a graded phenomenon resulting from the ways the human brain processes information. It is concluded that social science is, in some ways, "less classical" than quantum mechanics, but that generalized "quantum" structures may provide appropriate descriptions of social science experiments. Specific challenges to extending "quantum" structures to social science are identified.

Ron Wright

2003-07-30T23:59:59.000Z

122

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

E-Print Network (OSTI)

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.

Yair Goldfarb; Ilan Degani; David J. Tannor

2006-04-20T23:59:59.000Z

123

UNIFORM SEMICLASSICAL APPROXIMATION IN QUANTUM STATISTICAL MECHANICS.  

SciTech Connect

We present a simple method to deal with caustics in the semiclassical approximation to the partition function of a one-dimensional quantum system. The procedure, which makes use of complex trajectories, is applied to the quartic double-well potential.

De Carvalho, C.A.A.; Cavalcanit, R.M.; Fraga, E.S.; Joras, S.E.

2000-10-23T23:59:59.000Z

124

Assessing Expertise in Quantum Mechanics using Categorization Task  

Science Conference Proceedings (OSTI)

We discuss the categorization of 20 quantum mechanics problems by 6 physics professors and 22 undergraduate students from two honors?level quantum mechanics courses. Professors and students were asked to categorize the problems based upon similarity of solution. We also had individual discussions with professors who categorized the problems. Faculty members’ categorizations were overall rated better than those of students by three faculty members who evaluated all of the categorizations. But the categories created by faculty members were more diverse compared to the uniformity of the categories they created when asked to categorize introductory mechanics problems.

Shih?Yin Lin; Chandralekha Singh

2009-01-01T23:59:59.000Z

125

Quantum mechanics in curved space-time II  

E-Print Network (OSTI)

This paper is a sequence of the work presented in [1], where, the principles of the general relativity have been used to formulate quantum wave equations taking into account the effect of the electromagnetic and strong interactions in the space-time metric of quantum systems. Now, the role of the energy-momentum tensor in this theory is studied, and it is consistent with the formulation of the general quantum mechanics shown in [1]. With this procedure, a dynamical cut-off is generated and the constant $A$ of the field equation is calculated.

C. C. Barros Jr

2005-09-01T23:59:59.000Z

126

On the Limits of Information Retrieval in Quantum Mechanics  

E-Print Network (OSTI)

The widely considered assertion is that the unitarity of quantum mechanical evolution assures the preservation of information. It is even promoted in popular literature as an established fact. (Susskind, 2008) Yet, a simple chain of reasoning demonstrates that: 1) almost any evolutionary operator can be well approximated by a degenerate (finite-rank) operator and 2) one needs an eternity to retrieve information exactly from a nonstationary quantum state and to distinguish between arbitrary unitary operator and its finite-dimensional approximations.

Peter B. Lerner

2013-11-26T23:59:59.000Z

127

Mechanical Systems that are both Classical and Quantum  

E-Print Network (OSTI)

Quantum dynamics can be regarded as a generalization of classical finite-state dynamics. This is a familiar viewpoint for workers in quantum computation, which encompasses classical computation as a special case. Here this viewpoint is extended to mechanics, where classical dynamics has traditionally been viewed as a macroscopic approximation of quantum behavior, not as a special case. When a classical dynamics is recast as a special case of quantum dynamics, the quantum description can be interpreted classically. For example, sometimes extra information is added to the classical state in order to construct the quantum description. This extra information is then eliminated by representing it in a superposition as if it were unknown information about a classical statistical ensemble. This usage of superposition leads to the appearance of Fermions in the quantum description of classical lattice-gas dynamics and turns continuous-space descriptions of finite-state systems into illustrations of classical sampling theory. A direct mapping of classical systems onto quantum systems also allows us to determine the minimum possible energy scale for a classical dynamics, based on a localized rate of state change. We use a partitioning description of dynamics to define locality, and discuss the ideal energy of two model systems.

Norman Margolus

2008-05-22T23:59:59.000Z

128

Quantum mechanics from an equivalence principle  

Science Conference Proceedings (OSTI)

The authors show that requiring diffeomorphic equivalence for one-dimensional stationary states implies that the reduced action S{sub 0} satisfies the quantum Hamilton-Jacobi equation with the Planck constant playing the role of a covariantizing parameter. The construction shows the existence of a fundamental initial condition which is strictly related to the Moebius symmetry of the Legendre transform and to its involutive character. The universal nature of the initial condition implies the Schroedinger equation in any dimension.

Faraggi, A.E. [Univ. of Florida, Gainesville, FL (United States). Inst. for Fundamental Theory; Matone, M. [Univ. of Padova (Italy)

1997-05-15T23:59:59.000Z

129

Quantum Field Theory Is Not Merely Quantum Mechanics Applied to Low Energy Effective Degrees of Freedom  

E-Print Network (OSTI)

It is commonly assumed that quantum field theory arises by applying ordinary quantum mechanics to the low energy effective degrees of freedom of a more fundamental theory defined at ultra-high-energy/short-wavelength scales. We shall argue here that, even for free quantum fields, there are holistic aspects of quantum field theory that cannot be properly understood in this manner. Specifically, the ``subtractions'' needed to define nonlinear polynomial functions of a free quantum field in curved spacetime are quite simple and natural from the quantum field theoretic point of view, but are at best extremely ad hoc and unnatural if viewed as independent renormalizations of individual modes of the field. We illustrate this point by contrasting the analysis of the Casimir effect, the renormalization of the stress-energy tensor in time-dependent spacetimes, and anomalies from the point of quantum field theory and from the point of view of quantum mechanics applied to the independent low energy modes of the field. Some implications for the cosmological constant problem are discussed.

Stefan Hollands; Robert M. Wald

2004-05-16T23:59:59.000Z

130

Large Scale Quantum-mechanical Calculations of Proteins, Nanomaterials and  

NLE Websites -- All DOE Office Websites (Extended Search)

Large Scale Quantum-mechanical Calculations of Proteins, Nanomaterials and Large Scale Quantum-mechanical Calculations of Proteins, Nanomaterials and Other Large Systems Event Sponsor: Leadership Computing Facility Seminar Start Date: Dec 5 2013 - 2:00pm Building/Room: Building 240/Room 4301 Location: Argonne National Laboratory Speaker(s): Dmitri G. Fedorov Speaker(s) Title: National Institute of Advanced Industrial Science and Technology (AIST) Host: Yuri Alexeev Our approach to large scale calculations is based on fragmenting a molecular system into pieces, and performing quantum-mechanical calculations of these fragments and their pairs in the fragment molecular orbital method (FMO). After a brief summary of the methodology, some typical applications to protein-ligand complexes, chemical reactions in explicit solvent, and nanomaterials (silicon nanowires, zeolites.

131

Hydrodynamical interpretation of quantum mechanics: the momentum distribution  

E-Print Network (OSTI)

The quantum mechanics is considered to be a partial case of the stochastic system dynamics. It is shown that the wave function describes the state of statistically averaged system $$, but not that of the individual stochastic system $\\mathcal{S}_{st}$. It is a common practice to think that such a construction of quantum mechanics contains hidden variables, and it is incompatible with the von Neumann's theorem on hidden variables. It is shown that the original conditions of the von Neumann's theorem are not satisfied. In particular, the quantum mechanics cannot describe the particle momentum distribution. The distribution $w(\\mathbf{p}) =| \\psi_{p%}| ^{2}$ is not a particle momentum distribution at the state $\\psi $, because it cannot be attributed to a wave function. It is closer to the mean momentum distribution, although the two distributions do not coincide exactly.

Yuri A. Rylov

2004-02-15T23:59:59.000Z

132

Dynamical probability, particle trajectories and completion of traditional quantum mechanics  

E-Print Network (OSTI)

Maintaining the position that the wave function $\\psi$ provides a complete description of state, the traditional formalism of quantum mechanics is augmented by introducing continuous trajectories for particles which are sample paths of a stochastic process determined (including the underlying probability space) by $\\psi$. In the resulting formalism, problems relating to measurements and objective reality are solved as in Bohmian mechanics (without sharing its weak points). The pitfalls of Nelson's stochastic mechanics are also avoided.

Tulsi Dass

2005-05-25T23:59:59.000Z

133

PERTURBATION-THEORY RULES FOR COMPUTING THE SELF-ENERGY OPERATOR IN QUANTUM STATISTICAL MECHANICS  

E-Print Network (OSTI)

J. Thouless) The Quantu~ Mechanics of V ~ny-Body Systems (IN QUANTUM STA TISTICAL MECHANICS Gordon BayrrL and AndrewIN QUANTUM STATISTICAL MECHANICS Gordon Baym and Andrew M.

Baym, Gordon

2008-01-01T23:59:59.000Z

134

Statistical mechanics of classical and quantum computational complexity  

E-Print Network (OSTI)

The quest for quantum computers is motivated by their potential for solving problems that defy existing, classical, computers. The theory of computational complexity, one of the crown jewels of computer science, provides a rigorous framework for classifying the hardness of problems according to the computational resources, most notably time, needed to solve them. Its extension to quantum computers allows the relative power of quantum computers to be analyzed. This framework identifies families of problems which are likely hard for classical computers (``NP-complete'') and those which are likely hard for quantum computers (``QMA-complete'') by indirect methods. That is, they identify problems of comparable worst-case difficulty without directly determining the individual hardness of any given instance. Statistical mechanical methods can be used to complement this classification by directly extracting information about particular families of instances---typically those that involve optimization---by studying random ensembles of them. These pose unusual and interesting (quantum) statistical mechanical questions and the results shed light on the difficulty of problems for large classes of algorithms as well as providing a window on the contrast between typical and worst case complexity. In these lecture notes we present an introduction to this set of ideas with older work on classical satisfiability and recent work on quantum satisfiability as primary examples. We also touch on the connection of computational hardness with the physical notion of glassiness.

C. R. Laumann; R. Moessner; A. Scardicchio; S. L. Sondhi

2010-09-08T23:59:59.000Z

135

Quantum-mechanical theory of optomechanical Brillouin cooling  

SciTech Connect

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

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

2011-12-15T23:59:59.000Z

136

Monte-carlo calculations for some problems of quantum mechanics  

Science Conference Proceedings (OSTI)

The Monte-Carlo technique for the calculations of functional integral in two one-dimensional quantum-mechanical problems had been applied. The energies of the bound states in some potential wells were obtained using this method. Also some peculiarities in the calculation of the kinetic energy in the ground state had been studied.

Novoselov, A. A., E-mail: novoselov@goa.bog.msu.ru; Pavlovsky, O. V.; Ulybyshev, M. V. [Moscow State University (Russian Federation)

2012-09-15T23:59:59.000Z

137

Quantum mechanical cluster calculations of critical scintillationprocesses  

SciTech Connect

This paper describes the use of commercial quantum chemistrycodes to simu-late several critical scintillation processes. The crystalis modeled as a cluster of typically 50 atoms embedded in an array oftypically 5,000 point charges designed to reproduce the electrostaticfield of the infinite crystal. The Schrodinger equation is solved for theground, ionized, and excited states of the system to determine the energyand electron wavefunction. Computational methods for the followingcritical processes are described: (1) the formation and diffusion ofrelaxed holes, (2) the formation of excitons, (3) the trapping ofelectrons and holes by activator atoms, (4) the excitation of activatoratoms, and (5) thermal quenching. Examples include hole diffusion in CsI,the exciton in CsI, the excited state of CsI:Tl, the energy barrier forthe diffusion of relaxed holes in CaF2 and PbF2, and prompt hole trappingby activator atoms in CaF2:Eu and CdS:Te leading to an ultra-fast (<50ps) scintillation risetime.

Derenzo, Stephen E.; Klintenberg, Mattias K.; Weber, Marvin J.

2000-02-22T23:59:59.000Z

138

The Free-Will Postulate in Quantum Mechanics  

E-Print Network (OSTI)

The so-called "free will axiom" is an essential ingredient in many discussions concerning hidden variables in quantum mechanics. In this paper we argue that "free will" can be defined in different ways. The definition usually employed is clearly invalid in strictly deterministic theories. A different, more precise formulation is proposed here, defining a condition that may well be a more suitable one to impose on theoretical constructions and models. Our axiom, to be referred to as the `unconstrained initial state' condition, has consequences similar to "free will", but does not clash with determinism, and appears to lead to different conclusions concerning causality and locality in quantum mechanics. Models proposed earlier by this author fall in this category. Imposing our `unconstrained initial state' condition on a deterministic theory underlying Quantum Mechanics, appears to lead to a restricted free-will condition in the quantum system: an observer has the free will to modify the setting of a measuring device, but has no control over the phase of its wave function. The dismissal of the usual "free will" concept does not have any consequences for our views and interpretations of human activities in daily life, and the way our minds function, but it requires a more careful discussion on what, in practice, free will actually amounts to.

Gerard 't Hooft

2007-01-15T23:59:59.000Z

139

Can the photosynthesis first step quantum mechanism be explained?  

E-Print Network (OSTI)

Photosynthesis first step mechanism concerns the sunlight absorption and both negative and positive charges separation. Recent and important photosynthesis literature claims that this mechanism is quantum mechanics controlled, however without presenting qualitative or quantitative scientifically based mechanism. The present accepted and old-fashioned photosynthesis mechanism model suffers from few drawbacks and an important issue is the absence of driving force for negative and positive charges separation. This article presents a new qualitative model for this first step mechanism in natural catalytic systems such as photosynthesis in green leaves. The model uses a concept of semiconductor band gap engineering, such as the staggered energy band gap line-up in semiconductors. To explain the primary mechanism in natural photosynthesis the proposal is the following: incident light is absorbed inside the leaves causing charges separation. The only energetic configuration that allows charges separation under illum...

Sacilotti, Marco; Mota, Claudia C B O; Nunes, Frederico Dias; Gomes, Anderson S L

2010-01-01T23:59:59.000Z

140

Pure state quantum statistical mechanics and black holes  

E-Print Network (OSTI)

Chapter 3 of S. Lloyd's 1988 Ph.D. thesis, `Black Holes, Demons, and the Loss of Coherence: How complex systems get information and what they do with it,' supervisor Heinz Pagels. Reformulates statistical mechanics in terms of pure states and shows that (a) quantum statistics of typical pure states are very close to the mechanics of statistical mechanical ensembles; (b) if a system is in a typical state with energy E, then the reduced density matrix of a subsystem is very close to a thermal state. (A similar result was derived using Levy's lemma some years later by S. Popescu, A.J. Short, A.Winter, Nature Physics 2, 754-758 (2006).) Pure state quantum statistical mechanics is applied to black holesto show that for typical states of matter insideand outside a black hole, the external state is likely to be thermal. Proposes novel interpretation of probabilities in quantum statistical mechanics. Full thesis available at http://meche.mit.edu/documents/slloyd_thesis.pdf. This chapter was submitted for publication to Physical Review in 1988 but rejected by one sentence referee report: `There is no physics in this paper.' You be the judge.

Seth Lloyd

2013-07-01T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


141

Maximal Beable Subalgebras of Quantum-Mechanical Observables  

E-Print Network (OSTI)

Given a state on an algebra of bounded quantum-mechanical observables (the self-adjoint part of a C*-algebra), we investigate those subalgebras that are maximal with respect to the property that the given state's restriction to the subalgebra is a mixture of dispersion-free states---what we call maximal "beable" subalgebras (borrowing a terminology due to J. S. Bell). We also extend our investigation to the theory of algebras of unbounded observables (as developed by R. Kadison), and show how our results articulate a solid mathematical foundation for central tenets of the orthodox Copenhagen interpretation of quantum theory (such as the joint indeterminacy of canonically conjugate observables, and Bohr's defense of the completeness of quantum theory against the argument of Einstein, Podolsky, and Rosen).

Hans Halvorson; Rob Clifton

1999-05-13T23:59:59.000Z

142

Rigged Hilbert space formalism as an extended mathematical formalism for quantum systems. II. Transformation theory in nonrelativistic quantum mechanics  

Science Conference Proceedings (OSTI)

Results of a previous paper are used to obtain a rigorous mathematical formulation of the transformation theory of nonrelativistic quantum mechanics within the framework of rigged Hilbert spaces.

O. Melsheimer

1974-01-01T23:59:59.000Z

143

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

E-Print Network (OSTI)

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

Seevinck, Michiel

144

Homogeneous decoherence functionals in standard and history quantum mechanics  

E-Print Network (OSTI)

General history quantum theories are quantum theories without a globally defined notion of time. Decoherence functionals represent the states in the history approach and are defined as certain bivariate complex-valued functionals on the space of all histories. However, in practical situations -- for instance in the history formulation of standard quantum mechanics -- there often is a global time direction and the homogeneous decoherence functionals are specified by their values on the subspace of homogeneous histories. In this work we study the analytic properties of (i) the standard decoherence functional in the history version of standard quantum mechanics and (ii) homogeneous decoherence functionals in general history theories. We restrict ourselves to the situation where the space of histories is given by the lattice of projections on some Hilbert space H. Among other things we prove the non-existence of a finitely valued extension for the standard decoherence functional to the space of all histories, derive a representation for the standard decoherence functional as an unbounded quadratic form with a natural representation on a Hilbert space and prove the existence of an Isham-Linden-Schreckenberg (ILS) type representation for the standard decoherence functional.

Oliver Rudolph; J. D. M. Wright

1998-07-23T23:59:59.000Z

145

Multi-loop Feynman integrals and conformal quantum mechanics  

E-Print Network (OSTI)

New algebraic approach to analytical calculations of D-dimensional integrals for multi-loop Feynman diagrams is proposed. We show that the known analytical methods of evaluation of multi-loop Feynman integrals, such as integration by parts and star-triangle relation methods, can be drastically simplified by using this algebraic approach. To demonstrate the advantages of the algebraic method of analytical evaluation of multi-loop Feynman diagrams, we calculate ladder diagrams for the massless $\\phi^3$ theory. Using our algebraic approach we show that the problem of evaluation of special classes of Feynman diagrams reduces to the calculation of the Green functions for specific quantum mechanical problems. In particular, the integrals for ladder massless diagrams in the $\\phi^3$ scalar field theory are given by the Green function for the conformal quantum mechanics.

A. P. Isaev

2003-03-06T23:59:59.000Z

146

Molecular quantum mechanical observers, symmetry, and string theory  

E-Print Network (OSTI)

The paper \\cite{Dance0601} tentatively suggested a physical picture that might underlie string theories. The string parameters $\\tau $ and $\\sigma_i $ were interpreted as spacetime dimensions which a simple quantum mechanical observer can observe, while symmetries of the relevant observer states could limit the observability of other dimensions. An atomic observer was the focus of the discussion. The present paper extends the discussion of\\cite{Dance0601} to molecular observers, including the nature of some common molecular bonds and their symmetries.

M. Dance

2010-11-29T23:59:59.000Z

147

Quantum mechanics in fractional and other anomalous spacetimes  

SciTech Connect

We formulate quantum mechanics in spacetimes with real-order fractional geometry and more general factorizable measures. In spacetimes where coordinates and momenta span the whole real line, Heisenberg's principle is proven and the wave-functions minimizing the uncertainty are found. In spite of the fact that ordinary time and spatial translations are broken and the dynamics is not unitary, the theory is in one-to-one correspondence with a unitary one, thus allowing us to employ standard tools of analysis. These features are illustrated in the examples of the free particle and the harmonic oscillator. While fractional (and the more general anomalous-spacetime) free models are formally indistinguishable from ordinary ones at the classical level, at the quantum level they differ both in the Hilbert space and for a topological term fixing the classical action in the path integral formulation. Thus, all non-unitarity in fractional quantum dynamics is encoded in a contribution depending only on the initial and final states.

Calcagni, Gianluca [Max Planck Institute for Gravitational Physics (Albert Einstein Institute), Am Muehlenberg 1, D-14476 Golm (Germany); Instituto de Estructura de la Materia, CSIC, Serrano 121, 28006 Madrid (Spain); Nardelli, Giuseppe [Dipartimento di Matematica e Fisica, Universita Cattolica, via Musei 41, 25121 Brescia (Italy); INFN Gruppo Collegato di Trento, Universita di Trento, 38100 Povo (Trento) (Italy); Scalisi, Marco [Max Planck Institute for Gravitational Physics (Albert Einstein Institute), Am Muehlenberg 1, D-14476 Golm (Germany); Centre for Theoretical Physics, University of Groningen, Nijenborgh 4, 9747 AG Groningen (Netherlands)

2012-10-15T23:59:59.000Z

148

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

E-Print Network (OSTI)

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.

M. Hossein Partovi

2013-05-22T23:59:59.000Z

149

The fundamental obscurity in quantum mechanics. Could the problem be considered universal?  

E-Print Network (OSTI)

The contemporary controversy about the fundamental obscurity in quantum mechanics keeps on the old one about the aim of science, which was between the founders of the quantum theory. The orthodox quantum mechanics could be created only at the cost of renunciation of reality as the aim of natural science. The description only of phenomena, i.e. results of observation, should not be universal if no one believes that these phenomena are manifestation of a unique reality. Such belief concerning quantum mechanics is quite unacceptable because of irremediably conflict with special relativity. Nevertheless the quantum mechanics was developed and apprehended by most physicists as a universal theory of a quantum world. This fundamental discrepancy between the essence of the orthodox quantum mechanics and its history of development and studying has resulted both to an illusion about the aim of its description among most physicists and to the consideration of its fundamental obscurity as a universal problem among experts in quantum foundation. The aim of this paper is to show that quantum phenomena can not be described universally. It is indicated that rather the Schrodinger's than Born's interpretation of the wave function is valid for description of many quantum phenomena. The fundamental obscurity with which we are faced at the description, for example, macroscopic quantum phenomena differs fundamentally from the one with which the founders of the quantum theory were faced on atomic level.

A. V. Nikulov

2010-12-20T23:59:59.000Z

150

Complementarity and Classical Limit of Quantum Mechanics: Energy Measurement aspects  

E-Print Network (OSTI)

In the present contribution we discuss the role of experimental limitations in the classical limit problem. We studied some simple models and found that Quantum Mechanics does not re-produce classical mechanical predictions, unless we consider the experimental limitations ruled by uncertainty principle. We have shown that the discrete nature of energy levels of integrable systems can be accessed by classical measurements. We have defined a precise limit for this procedure. It may be used as a tool to define the classical limit as far as the discrete spectra of integrable systems are concerned. If a diffusive environment is considered, we conclude that the "lifetime" of discreteness is approximately $1/\\kappa$ ($\\kappa$ is the diffusion constant), thus it was possible to relate the classical limit of a spectra with the action of an environment and experimental resolution.

Adélcio C. Oliveira; Zolacir T. Oliveira Junior; Nestor S. Correia

2013-07-01T23:59:59.000Z

151

A dynamical time operator in Dirac's relativistic quantum mechanics  

E-Print Network (OSTI)

A self-adjoint dynamical time operator is introduced in Dirac's relativistic formulation of quantum mechanics and shown to satisfy a commutation relation with the Hamiltonian analogous to that of the position and momentum operators. The ensuing time-energy uncertainty relation involves the uncertainty in the instant of time when the wave packet passes a particular spatial position and the energy uncertainty associated with the wave packet at the same time, as envisaged originally by Bohr. The instantaneous rate of change of the position expectation value with respect to the simultaneous expectation value of the dynamical time operator is shown to be the phase velocity, in agreement with de Broglie's hypothesis of a particle associated wave whose phase velocity is larger than c. Thus, these two elements of the original basis and interpretation of quantum mechanics are integrated into its formal mathematical structure. Pauli's objection is shown to be resolved or circumvented. Possible relevance to current developments in interference in time, in Zitterbewegung like effects in spintronics, grapheme and superconducting systems and in cosmology is noted.

Mariano Bauer

2009-08-19T23:59:59.000Z

152

Hamilton relativity group for noninertial states in quantum mechanics  

E-Print Network (OSTI)

Physical states in quantum mechanics are rays in a Hilbert space. Projective representations of a relativity group transform between the quantum physical states that are in the admissible class. The physical observables of position, time, energy and momentum are the Hermitian representation of the Weyl-Heisenberg algebra. We show that there is a consistency condition that requires the relativity group to be a subgroup of the group of automorphisms of the Weyl-Heisenberg algebra. This, together with the requirement of the invariance of classical time, results in the inhomogeneous Hamilton group that is the relativity group for noninertial frames in classical Hamilton's mechanics. The projective representation of a group is equivalent to unitary representations of its central extension. The central extension of the inhomogeneous Hamilton group and its corresponding Casimir invariants are computed. One of the Casimir invariants is a generalized spin that is invariant for noninertial states. It is the familiar inertial Galilean spin with additional terms that may be compared to noninertial experimental results.

Stephen G. Low

2007-10-18T23:59:59.000Z

153

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)

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

Fayer, Michael D.

154

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

E-Print Network (OSTI)

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

Curceanu, C; Milotti, E

2011-01-01T23:59:59.000Z

155

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

E-Print Network (OSTI)

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

C. Curceanu; J. Marton; E. Milotti

2011-12-06T23:59:59.000Z

156

Frame transforms, star products and quantum mechanics on phase space  

E-Print Network (OSTI)

Using the notions of frame transform and of square integrable projective representation of a locally compact group $G$, we introduce a class of isometries (tight frame transforms) from the space of Hilbert-Schmidt operators in the carrier Hilbert space of the representation into the space of square integrable functions on the direct product group $G\\times G$. These transforms have remarkable properties. In particular, their ranges are reproducing kernel Hilbert spaces endowed with a suitable 'star product' which mimics, at the level of functions, the original product of operators. A 'phase space formulation' of quantum mechanics relying on the frame transforms introduced in the present paper, and the link of these maps with both the Wigner transform and the wavelet transform are discussed.

P. Aniello; V. I. Man'ko; G. Marmo

2008-02-28T23:59:59.000Z

157

Testing axioms for Quantum Mechanics on Probabilistic toy-theories  

E-Print Network (OSTI)

In Ref. [1] one of the authors proposed postulates for axiomatizing Quantum Mechanics as a "fair operational framework", namely regarding the theory as a set of rules that allow the experimenter to predict future events on the basis of suitable tests, having local control and low experimental complexity. In addition to causality, the following postulates have been considered: PFAITH (existence of a pure preparationally faithful state), and FAITHE (existence of a faithful effect). These postulates have exhibited an unexpected theoretical power, excluding all known nonquantum probabilistic theories. Later in Ref. [2] in addition to causality and PFAITH, postulate LDISCR (local discriminability) and PURIFY (purifiability of all states) have been considered, narrowing the probabilistic theory to something very close to Quantum Mechanics. In the present paper we test the above postulates on some nonquantum probabilistic models. The first model, "the two-box world" is an extension of the Popescu-Rohrlich model, which achieves the greatest violation of the CHSH inequality compatible with the no-signaling principle. The second model "the two-clock world" is actually a full class of models, all having a disk as convex set of states for the local system. One of them corresponds to the "the two-rebit world", namely qubits with real Hilbert space. The third model--"the spin-factor"--is a sort of n-dimensional generalization of the clock. Finally the last model is "the classical probabilistic theory". We see how each model violates some of the proposed postulates, when and how teleportation can be achieved, and we analyze other interesting connections between these postulate violations, along with deep relations between the local and the non-local structures of the probabilistic theory.

Giacomo Mauro D'Ariano; Alessandro Tosini

2009-11-29T23:59:59.000Z

158

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

E-Print Network (OSTI)

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.

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

2013-09-12T23:59:59.000Z

159

Quantum mechanical analogue of the zeroth law of thermodynamics. (On the problem of incorporating Thermodynamics into Quantum Theory)  

E-Print Network (OSTI)

This approach to the incorporation of stochastic thermodynamics into quantum theory is based on the conception of consistent inclusion of the holistic stochastic environmental influence described by wave functions of the arbitrary vacuum, which was proposed in our paper previously. In this study, we implement the possibility of explicitly incorporating the zeroth law of stochastic thermodynamics in the form of the saturated Schr\\"odinger uncertainty relation into quantum theory. This allows comparatively analyzing the sets of states of arbitrary vacuums, namely, squeezed coherent states (SCSs) and correlated coherent states (CCSs). In addition, we compare the results of the construction of stochastic thermodynamics using SCSs and TCCSs with the versions involving the incorporation of thermodynamics into quantum theory developed previously and based on thermofield dynamics and quantum statistical mechanics.

O. N. Golubjeva; A. D. Sukhanov

2013-03-25T23:59:59.000Z

160

Using semiclassical trajectories for the time-evolution of interacting quantum-mechanical systems  

Science Conference Proceedings (OSTI)

We have developed a method that recasts the time-propagation of dynamic, mutually interacting quantum-mechanical wavefunctions principally as the time-evolution of many classical particles. Our approach utilizes an approximation of Feynman path integrals, ... Keywords: Feynman, WKB, grid method, interacting, lagrangian, parallel computation, particle-based, path integral, plasma PIC, quantum particle-in-cell, semiclassical, stationary phase, time evolving

D. E. Dauger; V. K. Decyk; J. M. Dawson

2005-11-01T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


161

Quantum hologram of macroscopically entangled light via the mechanism of diffuse light storage  

E-Print Network (OSTI)

In the present paper we consider a quantum memory scheme for light diffusely propagating through a spatially disordered atomic gas. The diffuse trapping of the signal light pulse can be naturally integrated with the mechanism of stimulated Raman conversion into a long-lived spin coherence. Then the quantum state of the light can be mapped onto the disordered atomic spin subsystem and can be stored in it for a relatively long time. The proposed memory scheme can be applicable for storage of the macroscopic analog of the $\\Psi^{(-)}$ Bell state and the prepared entangled atomic state performs its quantum hologram, which suggests the possibility of further quantum information processing.

L. V. Gerasimov; I. M. Sokolov; D. V. Kupriyanov; M. D. Havey

2011-11-29T23:59:59.000Z

162

The symmetry groups of noncommutative quantum mechanics and coherent state quantization  

SciTech Connect

We explore the group theoretical underpinning of noncommutative quantum mechanics for a system moving on the two-dimensional plane. We show that the pertinent groups for the system are the two-fold central extension of the Galilei group in (2+1)-space-time dimensions and the two-fold extension of the group of translations of R{sup 4}. This latter group is just the standard Weyl-Heisenberg group of standard quantum mechanics with an additional central extension. We also look at a further extension of this group and discuss its significance to noncommutative quantum mechanics. We build unitary irreducible representations of these various groups and construct the associated families of coherent states. A coherent state quantization of the underlying phase space is then carried out, which is shown to lead to exactly the same commutation relations as usually postulated for this model of noncommutative quantum mechanics.

Chowdhury, S. Hasibul Hassan; Ali, S. Twareque [Department of Mathematics and Statistics, Concordia University, Montreal, Quebec H3G 1M8 (Canada)] [Department of Mathematics and Statistics, Concordia University, Montreal, Quebec H3G 1M8 (Canada)

2013-03-15T23:59:59.000Z

163

Analytic calculation of Witten index in D= 2 supersymmetric Yang-Mills quantum mechanics  

Science Conference Proceedings (OSTI)

We evaluate analytically the Witten index of D= 2 supersymmetric Yang-Mills quantum mechanics. We rederive a known result for the SU(2) gauge group and generalize it to any SU(N) gauge group.

Korcyl, Piotr [M. Smoluchowski Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Krakow (Poland)

2012-10-15T23:59:59.000Z

164

Anti-hydrogen: The cusp between quantum mechanics and general relativity  

DOE Green Energy (OSTI)

We argue that the crossing (CPT) symmetry of relativistic quantum mechanics requires that both the coulombic and the Newtonian force between pairs of particles will reverse when one is replaced by its anti-particle. For consistency, this requires a theory in which both the equivalence principles and gauge invariance are abandoned. thus whether anti-hydrogen ``falls`` up or down will provide an experiment crusis separating general relativity and gauge invariance from this version of quantum mechanics.

Noyes, H.P.

1992-09-01T23:59:59.000Z

165

Anti-hydrogen: The cusp between quantum mechanics and general relativity  

DOE Green Energy (OSTI)

We argue that the crossing (CPT) symmetry of relativistic quantum mechanics requires that both the coulombic and the Newtonian force between pairs of particles will reverse when one is replaced by its anti-particle. For consistency, this requires a theory in which both the equivalence principles and gauge invariance are abandoned. thus whether anti-hydrogen falls'' up or down will provide an experiment crusis separating general relativity and gauge invariance from this version of quantum mechanics.

Noyes, H.P.

1992-09-01T23:59:59.000Z

166

Comparison of quantum-mechanical and semiclassical approaches for an analysis of spin dynamics in quantum dots  

Science Conference Proceedings (OSTI)

Two approaches to the description of spin dynamics of electron-nuclear system in quantum dots are compared: the quantum-mechanical one is based on direct diagonalization of the model Hamiltonian and semiclassical one is based on coupled equations for precession of mean electron spin and mean spin of nuclear spin fluctuations. The comparison was done for a model problem describing periodic excitation of electron-nuclear system by optical excitation. The computation results show that scattering of parameters related to fluctuation of the nuclear spin system leads to appearance of an ordered state in the system caused by periodic excitation and to the effect of electron-spin mode locking in an external magnetic field. It is concluded that both models can qualitatively describe the mode-locking effect, however give significantly different quantitative results. This may indicate the limited applicability of the precession model for describing the spin dynamics in quantum dots in the presence of optical pumping.

Petrov, M. Yu., E-mail: m.petrov@spbu.ru; Yakovlev, S. V. [Saint Petersburg State University (Russian Federation)

2012-08-15T23:59:59.000Z

167

Quantum noise in a nano mechanical Duffing resonator  

E-Print Network (OSTI)

We determine the small signal gain and noise response of an amplifier based on the nonlinear response of a quantum nanomechanical resonator. The resonator is biased in the nonlinear regime by a strong harmonic bias force and we determine the response to a small additional driving signal detuned with respect to the bias force.

E. Babourina-Brooks; A. Doherty; G. J. Milburn

2008-04-22T23:59:59.000Z

168

Analysis of mechanisms of carrier emission in the p-i-n structures with In(Ga)As quantum dots  

SciTech Connect

With the help of the photocurrent spectroscopy, the mechanism of emission of charge carriers from energy levels of the (In,Ga)As/(Al,Ga)As quantum dots of different design are studied. Thermal activation is shown to be the main mechanism of carrier emission from the quantum dots for the isolated layer of quantum dots separated by wide (Al,Ga)As spacer layers. At a small width of the (Al,Ga)As spacer layer, when electron binding of separate layers of the quantum dots in the vertical direction takes place, the role of the tunneling mechanism of carrier emission between the vertically coupled quantum dots increases.

Shatalina, E. S., E-mail: Shatalina@mail.ioffe.ru; Blokhin, S. A.; Nadtochy, A. M.; Payusov, A. S.; Savelyev, A. V.; Maximov, M. V.; Zhukov, A. E. [St. Petersburg Academic University, Nanotechnology Research and Education Centre (Russian Federation); Ledentsov, N. N. [Russian Academy of Sciences, Ioffe Physical Technical Institute (Russian Federation); Kovsh, A. R.; Mikhrin, S. S.; Ustinov, V. M. [Innolume GmbH (Germany)

2010-10-15T23:59:59.000Z

169

Probing mechanical quantum coherence with an ultracold-atom meter  

Science Conference Proceedings (OSTI)

We propose a scheme to probe quantum coherence in the state of a nanocantilever based on its magnetic coupling (mediated by a magnetic tip) with a spinor Bose Einstein condensate (BEC). By mapping the BEC into a rotor, its coupling with the cantilever results in a gyroscopic motion whose properties depend on the state of the cantilever: the dynamics of one of the components of the rotor angular momentum turns out to be strictly related to the presence of quantum coherence in the state of the cantilever. We also suggest a detection scheme relying on Faraday rotation, which produces only a very small back-action on the BEC and is thus suitable for a continuous detection of the cantilever's dynamics.

Lo Gullo, N.; Busch, Th. [Department of Physics, University College Cork, Cork (Ireland); Palma, G. M. [NEST Istituto Nanoscienze-CNR and Dipartimento di Fisica, Univerisita' degli Studi di Palermo, Via Archirafi 36, I-90123 Palermo (Italy); Paternostro, M. [Centre for Theoretical Atomic, Molecular and Optical Physics, School of Mathematics and Physics, Queen's University, Belfast BT7 1NN (United Kingdom)

2011-12-15T23:59:59.000Z

170

Quantum Mechanical Corrections to Simulated Shock Hugoniot Temperatures  

SciTech Connect

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.

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

2009-07-17T23:59:59.000Z

171

How to verify the redshift mechanism of low-energy quantum gravity  

E-Print Network (OSTI)

In the model of low-energy quantum gravity by the author, the redshift mechanism is quantum and local, and it is not connected with any expansion of the Universe. A few possibilities to verify its predictions are considered here: the specialized ground-based laser experiment; a deceleration of massive bodies and the Pioneer anomaly; a non-universal character of the Hubble diagram for soft and hard radiations; galaxy/quasar number counts.

Michael A. Ivanov

2008-09-10T23:59:59.000Z

172

The Interface between Quantum Mechanics and General Relativity  

E-Print Network (OSTI)

The generation, as well as the detection, of gravitational radiation by means of charged superfluids is considered. One example of such a "charged superfluid" consists of a pair of Planck-mass-scale, ultracold "Millikan oil drops," each with a single electron on its surface, in which the oil of the drop is replaced by superfluid helium. When levitated in a magnetic trap, and subjected to microwave-frequency electromagnetic radiation, a pair of such "Millikan oil drops" separated by a microwave wavelength can become an efficient quantum transducer between quadrupolar electromagnetic and gravitational radiation. This leads to the possibility of a Hertz-like experiment, in which the source of microwave-frequency gravitational radiation consists of one pair of "Millikan oil drops" driven by microwaves, and the receiver of such radiation consists of another pair of "Millikan oil drops" in the far field driven by the gravitational radiation generated by the first pair. The second pair then back-converts the gravitional radiation into detectable microwaves. The enormous enhancement of the conversion efficiency for these quantum transducers over that for electrons arises from the fact that there exists macroscopic quantum phase coherence in these charged superfluid systems.

Raymond Y. Chiao

2006-01-29T23:59:59.000Z

173

Topological gauge theories from supersymmetric quantum mechanics on spaces of connections  

E-Print Network (OSTI)

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.

M Blau; G Thompson

1991-12-20T23:59:59.000Z

174

Quantum mechanical and information theoretic view on classical glass transitions  

E-Print Network (OSTI)

Using the mapping of the Fokker-Planck description of classical stochastic dynamics onto a quantum Hamiltonian, we argue that a dynamical glass transition in the former must have a precise definition in terms of a quantum phase transition in the latter. At the dynamical level, the transition corresponds to a collapse of the excitation spectrum at a critical point. At the static level, the transition affects the ground state wavefunction: while in some cases it could be picked up by the expectation value of a local operator, in others the order may be non-local, and impossible to be determined with any local probe. Here we propose instead to use concepts from quantum information theory that are not centered around local order parameters, such as fidelity and entanglement measures. We show that for systems derived from the mapping of classical stochastic dynamics, singularities in the fidelity susceptibility translate directly into singularities in the heat capacity of the classical system. In classical glassy systems with an extensive number of metastable states, we find that the prefactor of the area law term in the entanglement entropy jumps across the transition. We also discuss how entanglement measures can be used to detect a growing correlation length that diverges at the transition. Finally, we illustrate how static order can be hidden in systems with a macroscopically large number of degenerate equilibrium states by constructing a three dimensional lattice gauge model with only short-range interactions but with a finite temperature continuous phase transition into a massively degenerate phase.

Claudio Castelnovo; Claudio Chamon; David Sherrington

2010-03-19T23:59:59.000Z

175

Shape-invariance and Exactly Solvable Problems in Quantum Mechanics  

E-Print Network (OSTI)

Algebraic approach to the integrability condition called shape invariance is briefly reviewed. Various applications of shape-invariance available in the literature are listed. A class of shape-invariant bound-state problems which represent two-level systems are examined. These generalize the Jaynes-Cummings Hamiltonian. Coherent states associated with shape-invariant systems are discussed. For the case of quantum harmonic oscillator the decomposition of identity for these coherent states is given. This decomposition of identity utilizes Ramanujan's integral extension of the beta function.

A. B. Balantekin

2003-09-15T23:59:59.000Z

176

Quantum mechanics of one-dimensional trapped Tonks gases  

E-Print Network (OSTI)

Several experimental groups are currently working towards realizing quasi-one-dimensional (1D) atom waveguides and loading them with ultracold atoms. The dynamics becomes truly 1D in a regime (Tonks gas) of low temperatures and densities and large positive scattering lengths for which the transverse mode becomes frozen, in which case the many-body Schrodinger dynamics becomes exactly soluble via a Fermi-Bose mapping theorem. In this paper we review our recent work on the exact ground state and quantum dynamics of 1D Tonks gases and assess the possibility of approaching the Tonks regime using Bessel beam optical dipole traps.

M. D. Girardeau; E. M. Wright

2001-04-30T23:59:59.000Z

177

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

E-Print Network (OSTI)

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.

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

2002-07-30T23:59:59.000Z

178

Student understanding of quantum mechanics at the beginning of graduate instruction  

Science Conference Proceedings (OSTI)

A survey was developed to probe student understanding of quantum mechanics at the beginning of graduate instruction. The survey was administered to 202 physicsgraduate students enrolled in first-year quantum mechanics courses from seven universities at the beginning of the first semester. We also conducted one-on-one interviews with fifteen graduate or advanced undergraduate students who had just completed a course in which all the content on the survey was covered. Although students from some universities performed better on average than others

Chandralekha Singh

2008-01-01T23:59:59.000Z

179

Philosophy of mind and the problem of free will in the light of quantum mechanics  

E-Print Network (OSTI)

Defects occasioned by the advent of quantum mechanics are described in detail of recent arguments by John Searle and by Jaegwon Kim pertaining to the question of the complete reducibility to the physical of the apparent capacity of a person's conscious thoughts to affect the behaviour of that person's physically described brain.

Henry P. Stapp

2008-05-01T23:59:59.000Z

180

Quantum mechanics and gravity as preclusion principles of four dimensional geometries  

E-Print Network (OSTI)

The goal of this paper is to employ a "preclusion principle" originally suggested by Rafael Sorkin in order to come up with a relativistically covariant model of quantum mechanics and gravity. Space-time is viewed as geometry as opposed to dynamics, and "unwanted" histories in that geometry are precluded.

Roman Sverdlov

2008-10-01T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


181

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

Science Conference Proceedings (OSTI)

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.

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

2006-08-15T23:59:59.000Z

182

Philosophy of Mind and the Problem of FreeWill in the Light of Quantum Mechanics.  

Science Conference Proceedings (OSTI)

Arguments pertaining to the mind-brain connection and to the physical effectiveness of our conscious choices have been presented in two recent books, one by John Searle, the other by Jaegwon Kim. These arguments are examined, and it is argued that the difficulties encountered arise from a defective understanding and application of a pertinent part of contemporary science, namely quantum mechanics.

Stapp, Henry; Stapp, Henry P

2008-04-01T23:59:59.000Z

183

A MOLECULAR AND QUANTUM MECHANICAL STUDY OF INDOLE-3-ACETIC ACID  

E-Print Network (OSTI)

A MOLECULAR AND QUANTUM MECHANICAL STUDY OF INDOLE-3- ACETIC ACID Rudolf Kiralj (PQ) and Márcia M with simple molecular structure. All the attempts to quantify its structure-biological activity relationship were not much successful up to date, mostly due to missing knowledge about some intrinsic molecular

Ferreira, Márcia M. C.

184

A sequential Monte Carlo/Quantum Mechanics study of the dipole polarizability of liquid benzene  

Science Conference Proceedings (OSTI)

Metropolis Monte Carlo classical simulation and quantum mechanical calculations are performed to obtain the dipole polarizability of liquid benzene. Super-molecular configurations are sampled from NVT Monte Carlo simulation of liquid benzene at room ... Keywords: Monte Carlo simulation, density-functional theory, intermediate-neglect of differential overlap (INDO), liquid benzene, polarizability

Eudes E. Fileti; Sylvio Canuto

2004-12-01T23:59:59.000Z

185

The Interface between Quantum Mechanics and General Relativity  

E-Print Network (OSTI)

The generation, as well as the detection, of gravitational radiation by means of charged superfluids is considered. One example of such a "charged superfluid" consists of a pair of Planck-mass-scale, ultracold "Millikan oil drops," each with a single electron on its surface, in which the oil of the drop is replaced by superfluid helium. When levitated in a magnetic trap, and subjected to microwave-frequency electromagnetic radiation, such a pair of "Millikan oil drops" separated by a microwave wavelength can become an efficient quantum transducer between quadrupolar electromagnetic and gravitational radiation. This leads to the possibility of a Hertz-like experiment, in which the source of microwave-frequency gravitational radiation consists of one pair of "Millikan oil drops" driven by microwaves, and the receiver of such radiation consists of another pair of "Millikan oil drops" in the far field driven by the gravitational radiation generated by the first pair. The second pair then back-converts the graviti...

Chiao, R Y

2006-01-01T23:59:59.000Z

186

About a possible path towards the reverse engineering of quantum mechanics  

E-Print Network (OSTI)

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.

Alberto Ottolenghi

2011-11-17T23:59:59.000Z

187

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

E-Print Network (OSTI)

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?

Friedwardt Winterberg

2008-05-20T23:59:59.000Z

188

A new DFT method for atoms and molecules in Cartesian grid  

E-Print Network (OSTI)

Electronic structure calculation of atoms and molecules, in the past few decades has largely been dominated by density functional methods. This is primarily due to the fact that this can account for electron correlation effects in a rigorous, tractable manner keeping the computational cost at a manageable level. With recent advances in methodological development, algorithmic progress as well as computer technology, larger physical, chemical and biological systems are amenable to quantum mechanical calculations than ever before. Here we report the development of a new method for accurate reliable description of atoms, molecules within the Hohenberg-Kohn-Sham density functional theory (DFT). In a Cartesian grid, atom-centered localized basis set, electron density, molecular orbitals, two-body potentials are directly built on the grid. We employ a Fourier convolution method for classical Coulomb potentials by making an Ewald-type decomposition technique in terms of short- and long-range interactions. One-body ma...

Roy, Amlan K

2013-01-01T23:59:59.000Z

189

Information and The Brukner-Zeilinger Interpretation of Quantum Mechanics: A Critical Investigation  

E-Print Network (OSTI)

In Brukner and Zeilinger's interpretation of quantum mechanics, information is introduced as the most fundamental notion and the finiteness of information is considered as an essential feature of quantum systems. They also define a new measure of information which is inherently different from the Shannon information and try to show that the latter is not useful in defining the information content in a quantum object. Here, we show that there are serious problems in their approach which make their efforts unsatisfactory. The finiteness of information does not explain how objective results appear in experiments and what an instantaneous change in the so-called information vector (or catalog of knowledge) really means during the measurement. On the other hand, Brukner and Zeilinger's definition of a new measure of information may lose its significance, when the spin measurement of an elementary system is treated realistically. Hence, the sum of the individual measures of information may not be a conserved value in real experiments.

Afshin Shafiee; Feryal Safinejad; Farnoush Naqsh

2004-07-26T23:59:59.000Z

190

Quantum Mechanical Aspects of Cell Microtubules: Science Fiction or Realistic Possibility?  

E-Print Network (OSTI)

Recent experimental research with marine algae points towards quantum entanglement at ambient temperature, with correlations between essential biological units separated by distances as long as 20 Angstr\\"oms. The associated decoherence times, due to environmental influences, are found to be of order 400 fs. This prompted some authors to connect such findings with the possibility of some kind of quantum computation taking place in these biological entities: within the decoherence time scales, the cell "quantum calculates" the optimal "path" along which energy and signal would be transported more efficiently. Prompted by these experimental results, in this talk I remind the audience of a related topic proposed several years ago in connection with the possible r\\^ole of quantum mechanics and/or field theory on dissipation-free energy transfer in microtubules (MT), which constitute fundamental cell substructures. Quantum entanglement between tubulin dimers was argued to be possible, provided there exists sufficient isolation from other environmental cell effects. The model was based on certain ferroelectric aspects of MT. In the talk I review the model and the associated experimental tests so far and discuss future directions, especially in view of the algae photo-experiments.

Nick E. Mavromatos

2010-11-29T23:59:59.000Z

191

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

E-Print Network (OSTI)

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.

Izabela Balwierz-Pytko

2013-08-27T23:59:59.000Z

192

Decoherent Histories Quantum Mechanics with One 'Real' Fine-Grained History  

E-Print Network (OSTI)

Decoherent histories quantum theory is reformulated with the assumption that there is one "real" fine-grained history, specified in a preferred complete set of sum-over-histories variables. This real history is described by embedding it in an ensemble of comparable imagined fine-grained histories, not unlike the familiar ensemble of statistical mechanics. These histories are assigned extended probabilities, which can sometimes be negative or greater than one. As we will show, this construction implies that the real history is not completely accessible to experimental or other observational discovery. However, sufficiently and appropriately coarse-grained sets of alternative histories have standard probabilities providing information about the real fine-grained history that can be compared with observation. We recover the probabilities of decoherent histories quantum mechanics for sets of histories that are recorded and therefore decohere. Quantum mechanics can be viewed as a classical stochastic theory of histories with extended probabilities and a well-defined notion of reality common to all decoherent sets of alternative coarse-grained histories.

Murray Gell-Mann; James B. Hartle

2011-06-03T23:59:59.000Z

193

Pure States, Mixed States and Hawking Problem in Generalized Quantum Mechanics  

E-Print Network (OSTI)

This paper is the continuation of a study into the information paradox problem started by the author in his earlier works. As previously, the key instrument is a deformed density matrix in quantum mechanics of the early universe. It is assumed that the latter represents quantum mechanics with fundamental length. It is demonstrated that the obtained results agree well with the canonical viewpoint that in the processes involving black holes pure states go to the mixed ones in the assumption that all measurements are performed by the observer in a well-known quantum mechanics. Also it is shown that high entropy for Planck remnants of black holes appearing in the assumption of the Generalized Uncertainty Relations may be explained within the scope of the density matrix entropy introduced by the author previously. It is noted that the suggested paradigm is consistent with the Holographic Principle. Because of this, a conjecture is made about the possibility for obtaining the Generalized Uncertainty Relations from the covariant entropy bound at high energies in the same way as R. Bousso has derived Heisenberg uncertainty principle for the flat space.

A. E. Shalyt-Margolin

2004-05-13T23:59:59.000Z

194

Sound relativistic quantum mechanics for a strictly solitary nonzero-mass particle, and its quantum-field reverberations  

E-Print Network (OSTI)

It is generally acknowledged that neither the Klein-Gordon equation nor the Dirac Hamiltonian can produce sound solitary-particle relativistic quantum mechanics due to the ill effects of their negative-energy solutions; instead their field-quantized wavefunctions are reinterpreted as dealing with particle and antiparticle simultaneously--despite the clear physical distinguishability of antiparticle from particle and the empirically known slight breaking of the underlying CP invariance. The natural square-root Hamiltonian of the free relativistic solitary particle is iterated to obtain the Klein-Gordon equation and linearized to obtain the Dirac Hamiltonian, steps that have calculational but not physical motivation, and which generate the above-mentioned problematic negative-energy solutions as extraneous artifacts. Since the natural square root Hamiltonian for the free relativistic solitary particle contrariwise produces physically unexceptionable quantum mechanics, this article focuses on extending that Hamiltonian to describe a solitary particle (of either spin 0 or spin one-half) in relativistic interaction with an external electromagnetic field. That is achieved by use of Lorentz-covariant solitary-particle four momentum techniques together with the assumption that well-known nonrelativistic dynamics applies in the particle's rest frame. Lorentz-invariant solitary particle actions, whose formal Hamiltonization is an equivalent alternative approach, are as well explicitly displayed. It is proposed that two separate solitary-particle wavefunctions, one for a particle and the other for its antiparticle, be independently quantized in lieu of "reinterpreting" negative energy solutions--which indeed don't even afflict proper solitary particles.

Steven Kenneth Kauffmann

2009-09-22T23:59:59.000Z

195

Unified Representation of Quantum Mechanics on One-dimensional Harmonic Oscillator  

E-Print Network (OSTI)

A quantum state corresponds to a specific wave function. We adopt a new mathematical method [1] to improve Dirac's ladder operator method. A set of orthonormal wave functions will be used to associate the operator with the square matrix corresponding to it. These allow us to determine the matrix elements by using the operator relations without having to know the specific wave functions. As a result, we can get the direct results of matrix mechanics and wave mechanics on one-dimensional Harmonic oscillator and their descriptions will be also unified.

Yongqin Wang

2013-03-07T23:59:59.000Z

196

Classical and Quantum-Mechanical Axioms with the Higher Time Derivative Formalism  

E-Print Network (OSTI)

A Newtonian mechanics model is essentially the model of a point body in an inertial reference frame. How to describe extended bodies in non-inertial (vibrational) reference frames with the random initial conditions? One of the most general description (known as the higher derivatives formalism) consists in taking into account the infinite number of the higher order temporal derivatives of the coordinates in the Lagrange function. Such formalism describes physical objects in the in?finite dimensional space does not contradict quantum mechanics and infinite dimensional Hilbert space.

Timur Kamalov

2013-07-04T23:59:59.000Z

197

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

E-Print Network (OSTI)

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.

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

2012-08-30T23:59:59.000Z

198

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

E-Print Network (OSTI)

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.

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

2012-01-01T23:59:59.000Z

199

Quantum Mechanics  

Science Conference Proceedings (OSTI)

... Surprise: Photon-count-based heralding is powerful! • Highlight: Pairs, squeezing and cats. ... Highlight: Pairs, squeezing and cats. (cont.) ...

2012-09-15T23:59:59.000Z

200

Quantum Mechanics  

NLE Websites -- All DOE Office Websites (Extended Search)

Mecnica cuntica Avanzar Volver Principal ESTOY PERDIDO Considere la siguiente secuencia de ideas: Los protones y los neutrones pueden migrar por todo el interior de un...

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


201

Numerical Classical and Quantum Mechanical simulations of Charge Density wave models  

E-Print Network (OSTI)

We first present how to do a computer simulation of Charge Density Waves using a driven harmonic oscillator model by a numerical scheme as initially formulated by Littlewood, and then afterwards use this to present how the dielectric model as presented by this proceedure leads to a blow up at the initialization of a threshold field ET. We find that this is highly unphysical and this initiated our inquiry as to alternative models. Afterwards, we then investigate hwo to present this transport problem of CDW quantum mechanically, threough a numerical simulation of the massive Schwinger model. We find that this single chaing quantum mechanical simulation uwed to formulate solutions to CDW transport in itself is insufficient for transport of solitons(anti-solitons) through a pinning gap model of CDW. We show that a model Hamiltonian with Peierls condensation energy used to couple adjacent chains (or transverse wave vectors) permits formation of solitons (anti- solitons) which can be used to transport CDW through a potential barrier. This addition of the Peierls condensation energy term is essential for any quantum model of Charge Density Waves to give tunneling behavior as seen via a numerical simulation.

A. W. Beckwith

2004-09-13T23:59:59.000Z

202

Optimization Of Simulations And Activities For A New Introductory Quantum Mechanics Curriculum  

E-Print Network (OSTI)

The Institute of Physics New Quantum Curriculum (quantumphysics.iop.org) consists of online texts and interactive simulations with accompanying activities for an introductory course in quantum mechanics starting from two-level systems. We describe observation sessions and analysis of homework and survey responses used to optimize the simulations and activities in terms of clarity, ease-of-use, promoting exploration, sense-making and linking of multiple representations. This work led to revisions of simulations and activities and general design principles which have been incorporated wherever applicable. These include intuitive controls and on-demand text in the simulations and making explicit links between mathematical and physical representations in simulations and activities.

Kohnle, Antje; Hooley, Christopher; Torrance, Bruce

2013-01-01T23:59:59.000Z

203

Proposed test of relative phase as hidden variable in quantum mechanics  

E-Print Network (OSTI)

We consider the possibility that the relative phase in quantum mechanics plays a role in determining measurement outcome and could therefore serve as a "hidden" variable. The Born rule for measurement equates the probability for a given outcome with the absolute square of the coefficient of the basis state, which by design removes the relative phase from the formulation. The value of this phase at the moment of measurement naturally averages out in an ensemble, which would prevent any dependence from being observed, and we show that conventional frequency-spectroscopy measurements on discrete quantum systems cannot be imposed at a specific phase due to a straightforward uncertainty relation. We lay out general conditions for imposing measurements at a specific value of the relative phase so that the possibility of its role as a hidden variable can be tested, and we discuss implementation for the specific case of an atomic two-state system with laser-induced fluorescence for measurement.

Steven Peil

2013-02-15T23:59:59.000Z

204

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

Science Conference Proceedings (OSTI)

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.

Stapp, Henry P.

2011-05-10T23:59:59.000Z

205

Quantum-mechanical description of spin-1 particles with electric dipole moments  

E-Print Network (OSTI)

The Proca-Corben-Schwinger equations for a spin-1 particle with an anomalous magnetic moment are added by a term describing an electric dipole moment, then they are reduced to a Hamiltonian form, and finally they are brought to the Foldy-Wouthuysen representation. Relativistic equations of motion are derived. The needed agreement between quantum-mechanical and classical relativistic equations of motion is proved. The scalar and tensor electric and magnetic polarizabilities of pointlike spin-1 particles (W bosons) are calculated for the first time.

Alexander J. Silenko

2013-03-26T23:59:59.000Z

206

The method of Hill determinants in PT-symmetric quantum mechanics  

E-Print Network (OSTI)

Hill-determinant method is described and shown applicable within the so called PT-symmetric quantum mechanics. We demonstrate that in a way paralleling its traditional Hermitian applications and proofs the method guarantees the necessary asymptotic decrease of wave functions as resulting from a fine-tuned mutual cancellation of their asymptotically growing exponential components. Technically, the rigorous proof is needed/offered that in a quasi-variational spirit the method allows us to work, in its numerical implementations, with a sequence of truncated forms of the rigorous Hill-determinant power series for the normalizable bound states.

Miloslav Znojil

2004-10-04T23:59:59.000Z

207

Mechanism for the suppression of quantum noise at large scales on expanding space  

E-Print Network (OSTI)

We present an exactly-solvable model for the suppression of quantum noise at large scales on expanding space. The suppression arises naturally in the de Broglie-Bohm pilot-wave formulation of quantum theory, according to which the Born probability rule has a dynamical origin. For a scalar field on a radiation-dominated background we construct the exact solution for the time-evolving wave functional and study properties of the associated field trajectories. It is shown that the time evolution of a field mode on expanding space is mathematically equivalent to that of a standard harmonic oscillator with a 'retarded time' that depends on the wavelength of the mode. In the far super-Hubble regime the equivalent oscillator evolves over only one Hubble time, yielding a simple mechanism whereby relaxation to the Born rule can be suppressed on very large scales. We present numerical simulations illustrating how the expansion of space can cause a retardation of relaxation in the super-Hubble regime. Given these results it is natural to expect a suppression of quantum noise at super-Hubble wavelengths. Such suppression could have taken place in a pre-inflationary era, resulting in a large-scale power deficit in the cosmic microwave background.

Samuel Colin; Antony Valentini

2013-06-07T23:59:59.000Z

208

A quantum mechanical derivation of the Schwarzschild radius and its quantum correction using a model density distribution: Skin of a black hole  

E-Print Network (OSTI)

Using a single particle density distribution for a system of self-gravitating particles which ultimately forms a black hole, we from a condensed matter point of view derive the Schwarzschild radius and by including the quantum mechanical exchange energy we find a small correction to the Schwarzschild radius, which we designate as the skin of the black hole.

Subodha Mishra

2007-03-16T23:59:59.000Z

209

Quantum Mechanics of Lowest Landau Level Derived from N=4 SYM with Chemical Potential  

E-Print Network (OSTI)

The low energy effective theory of N=4 super-Yang-Mills theory on S^3 with an R-symmetry chemical potential is shown to be the lowest Landau level system. This theory is a holomorphic complex matrix quantum mechanics. When the value of the chemical potential is not far below the mass of the scalars, the states of the effective theory consist only of the half-BPS states. The theory is solved by the operator method and by utilizing the lowest Landau level projection prescription for the value of the chemical potential less than or equal to the mass of the scalars. When the chemical potential is below the mass, we find that the degeneracy of the lowest Landau level is lifted and the energies of the states are computed. The one-loop correction to the effective potential is computed for the commuting fields and treated as a perturbation to the tree level quantum mechanics. We find that the perturbation term has non-vanishing matrix elements that mix the states with the same R-charge.

D. Yamada

2005-09-28T23:59:59.000Z

210

The Schrodinger-Chetaev Equation in Bohmian Quantum Mechanics and Diffusion Mechanism for Alpha Decay, Cluster Radioactivity and Spontaneous Fission  

E-Print Network (OSTI)

In the framework of Bohmian quantum mechanics supplemented with the Chetaev theorem on stable trajectories in dynamics in the presence of dissipative forces we have shown the possibility of the classical (without tunneling) universal description of radioactive decay of heavy nuclei, in which under certain conditions so called noise-induced transition is generated or, in other words, the stochastic channel of alpha decay, cluster radioactivity and spontaneous fission conditioned by the Kramers diffusion mechanism. Based on the ENSDF database we have found the parametrized solutions of the Kramers equation of Langevin type by Alexandrov dynamic auto-regularization method (FORTRAN program REGN-Dubna). These solutions describe with high-accuracy the dependence of the half-life (decay probability) of heavy radioactive nuclei on total kinetic energy of daughter decay products. The verification of inverse problem solution in the framework of the universal Kramers description of the alpha decay, cluster radioactivity and spontaneous fission, which was based on the newest experimental data of alpha-decay of even-even super heavy nuclei (Z=114, 116, 118) have shown the good coincidence of the experimental and theoretical half-life depend upon of alpha-decay energy.

V. D. Rusov; S. Cht. Mavrodiev; M. A. Deliyergiyev

2008-10-16T23:59:59.000Z

211

Molecular Quantum Mechanics 2010: From Methylene to DNA and Beyond Conference Support  

SciTech Connect

This grant was $12500 for partial support of an international conference, Molecular Quantum Mechanics 2010, which was held on the campus of the University of California, Berkeley, from 24 to 29 May 2010. The conference involved more than 250 participants. The conference schedule ran from as early as 8:00 AM to as late as 10:30 PM at night, in order to accommodate six historical lectures, 16 plenary lectures, 42 invited talks and two very strong poster sessions containing 143 contributed posters. Since 1989, the Molecular Quantum Mechanics (MQM) series of international conferences has show- cased the frontiers of research in quantum chemistry with a strong focus on basic theory and algorithms, as well as highlights of topical applications. Both were strongly in evidence at MQM 2010. At the same time as embracing the future, the MQM conferences also honour the lifetime contributions of some of the most prominent scientists in the field of theoretical and computational quantum chemistry. MQM 2010 recognised the work of Prof. Henry F. ‘Fritz’ Schaefer of the Center for Computational Chemistry at the University of Georgia, who was previously on the faculty at Berkeley The travel of invited speakers was partially covered by sponsorships from Dell Computer, Hewlett-Packard, Journal of Chemical Theory and Computation, Virginia Tech College of Science, Molecular Physics, Q-Chem Inc and the American Institute of Physics. By contrast, the conference grant from the Department of Energy was used to provide fellowships and scholarships to enable graduate students and postdoctoral fellows to attend the meeting, and thereby broaden the participation of young scientists at a meeting where in the past most of the attendees have been more senior faculty researchers. We believe that we were very successful in this regard: 118 students and postdocs attended out of the total of 256 participants. In detail, the DOE sponsorship money was partially used for dormitory scholarships that covered the cost of shared accommodation for students and postdocs at Berkeley dormitories. This covered the $200-$305 cost of a shared room for the 5-day duration of the conference. The only condition of these scholarships was that the awardee must present a poster at the meeting. Approximately $7565 was spent for these dormitory scholarships. The remaining expenditures of $4800 was used for 12 merit scholarships which were awarded to students whose poster presentations were judged the best at the conference. This amount covered a significant part of their travel and registration fees.

None

2013-05-15T23:59:59.000Z

212

Exact solution for excess electrons in quantum mechanically operating solar cells, under cumulative Auger effects  

Science Conference Proceedings (OSTI)

We derive excess carrier populations in quantum wells, embedded in the intrinsic region of p-i-n solar cells. In the process of the analysis, we (a) solve for photo-generated carriers in quantum wells and (b) determine explicit dependence on incident ... Keywords: Auger recombination, material growth, quantum photovoltaics, quantum wells, solar cells, solar spectrum

Argyrios Varonides; Robert Spalletta; Andrew Berger

2007-07-01T23:59:59.000Z

213

Simulation Of Wave Function And Probability Density Of Modified Poschl Teller Potential Derived Using Supersymmetric Quantum Mechanics  

Science Conference Proceedings (OSTI)

SUSY quantum mechanics can be applied to solve Schrodinger equation for high dimensional system that can be reduced into one dimensional system and represented in lowering and raising operators. Lowering and raising operators can be obtained using relationship between original Hamiltonian equation and the (super) potential equation. In this paper SUSY quantum mechanics is used as a method to obtain the wave function and the energy level of the Modified Poschl Teller potential. The graph of wave function equation and probability density is simulated by using Delphi 7.0 programming language. Finally, the expectation value of quantum mechanics operator could be calculated analytically using integral form or probability density graph resulted by the programming.

Angraini, Lily Maysari [STKIP Hamzanwadi Selong East Lombok, NTB, PostGraduate student at Physics Department UNS, Jl. Ir. Sutami 36 A, Surakarta (Indonesia); Suparmi,; Variani, Viska Inda [Physics Department UNS, Jl. Ir. Sutami 36 A, Surakarta (Indonesia)

2010-12-23T23:59:59.000Z

214

Obtaining the Probability Vector Current Density in Canonical Quantum Mechanics by Linear Superposition  

E-Print Network (OSTI)

The quantum mechanics status of the probability vector current density has long seemed to be marginal. On one hand no systematic prescription for its construction is provided, and the special examples of it that are obtained for particular types of Hamiltonian operator could conceivably be attributed to happenstance. On the other hand this concept's key physical interpretation as local average particle flux, which flows from the equation of continuity that it is supposed to satisfy in conjunction with the probability scalar density, has been claimed to breach the uncertainty principle. Given the dispiriting impact of that claim, we straightaway point out that the subtle directional nature of the uncertainty principle makes it consistent with the measurement of local average particle flux. We next focus on the fact that the unique closed-form linear-superposition quantization of any classical Hamiltonian function yields in tandem the corresponding unique linear-superposition closed-form divergence of the probability vector current density. Because the probability vector current density is linked to the quantum physics only through the occurrence of its divergence in the equation of continuity, it is theoretically most appropriate to construct this vector field exclusively from its divergence -- analysis of the best-known "textbook" special example of a probability vector current density shows that it is thus constructed. That special example in fact leads to the physically interesting "Ehrenfest subclass" of probability vector current densities, which are closely related to their classical peers.

Steven Kenneth Kauffmann

2013-02-02T23:59:59.000Z

215

Mechanism for the suppression of quantum noise at large scales on expanding space  

E-Print Network (OSTI)

We present an exactly-solvable model for the suppression of quantum noise at large scales on expanding space. The suppression arises naturally in the de Broglie-Bohm pilot-wave formulation of quantum theory, according to which the Born probability rule has a dynamical origin. For a scalar field on a radiation-dominated background we construct the exact solution for the time-evolving wave functional and study properties of the associated field trajectories. It is shown that the time evolution of a field mode on expanding space is mathematically equivalent to that of a standard harmonic oscillator with a 'retarded time' that depends on the wavelength of the mode. In the far super-Hubble regime the equivalent oscillator evolves over only one Hubble time, yielding a simple mechanism whereby relaxation to the Born rule can be suppressed on very large scales. We present numerical simulations illustrating how the expansion of space can cause a retardation of relaxation in the super-Hubble regime. Given these results...

Colin, Samuel

2013-01-01T23:59:59.000Z

216

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

E-Print Network (OSTI)

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.

Mirza Wasif Baig; Muhammad Siddiq

2013-05-28T23:59:59.000Z

217

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

SciTech Connect

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.

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

2012-11-01T23:59:59.000Z

218

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

E-Print Network (OSTI)

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.

Liviu-Adrian Cotfas

2012-07-14T23:59:59.000Z

219

The dispersion interaction between quantum mechanics and effective fragment potential molecules  

SciTech Connect

A method for calculating the dispersion energy between molecules modeled with the general effective fragment potential (EFP2) method and those modeled using a full quantum mechanics (QM) method, e.g., Hartree-Fock (HF) or second-order perturbation theory, is presented. C6 dispersion coefficients are calculated for pairs of orbitals using dynamic polarizabilities from the EFP2 portion, and dipole integrals and orbital energies from the QM portion of the system. Dividing by the sixth power of the distance between localized molecular orbital centroids yields the first term in the commonly employed London series expansion. A C8 term is estimated from the C6 term to achieve closer agreement with symmetry adapted perturbation theory values. Two damping functions for the dispersion energy are evaluated. By using terms that are already computed during an ordinary HF or EFP2 calculation, the new method enables accurate and extremely rapid evaluation of the dispersion interaction between EFP2 and QM molecules.

Smith, Quentin A.; Ruedenberg, Klaus; Gordon, Mark S.; Slipchenko, Lyudmila

2012-06-26T23:59:59.000Z

220

Quantum Signatures of Spacetime Graininess Quantum Signatures of Spacetime  

E-Print Network (OSTI)

Quantum Signatures of Spacetime Graininess Quantum Signatures of Spacetime "Graininess" Sachindeo September 2009 #12;Quantum Signatures of Spacetime Graininess Introduction 1 Length scales in physics 2 Spacetime noncommutativity from quantum uncertainties 3 Quantum Mechanics on Noncommutative Spacetime 4

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

Deformed Woods-Saxon Potential in the Frame of Supersymmetric Quantum Mechanics for Any l-State  

E-Print Network (OSTI)

A novel analytically solvable deformed Woods-Saxon potential is investigated by means of the Supersymmetric Quantum Mechanics. Hamiltonian hierarchy method and the shape invariance property are used in the calculations. The energy levels are obtained for any l-state. The interrelations for some nuclear scattering processes are also discussed

Cuneyt Berkdemir; Ayse Berkdemir; Ramazan Sever

2005-02-15T23:59:59.000Z

222

Quantum discord  

NLE Websites -- All DOE Office Websites (Extended Search)

Quantum discord Quantum discord 1663 Los Alamos science and technology magazine Latest Issue:November 2013 All Issues » submit Quantum discord A distinguishing aspect of quantum mechanics discovered at Los Alamos that may be critical to building a quantum computer March 25, 2013 Spinning coins turning into binary numbers Quantum computing Quantum computing can be carried out without the delicate entanglement of qubits previously believed to be necessary Quantum computing, in which quantum bits of information (or qubits) juggle a "superposition" of multiple values simultaneously, offers to unleash tremendous computational power if the qubits can be effectively isolated to prevent decoherence: information describing quantum states dispersing into the environment. But recent research has shown that quantum computing can be carried out

223

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

SciTech Connect

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.

Harrison, Alan K. [Los Alamos National Laboratory

2012-04-17T23:59:59.000Z

224

Quantum Thermodynamics  

E-Print Network (OSTI)

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.

Ronnie Kosloff

2013-05-10T23:59:59.000Z

225

A Transformation Method to Construct Family of Exactly Solvable Potentials in Quantum Mechanics  

E-Print Network (OSTI)

A transformation method is applied to the second order ordinary differential equation satisfied by orthogonal polynomials to construct a family of exactly solvable quantum systems in any arbitrary dimensional space. Using the properties of orthogonal polynomials, the method transforms polynomial differential equation to D-dimensional radial Schrodinger equation which facilitates construction of exactly solvable quantum systems. The method is also applied using associated Laguerre and Hypergeometric polynomials. The quantum systems generated from other polynomials are also briefly highlighted.

Nabaratna Bhagawati; N Saikia; N Nimai Singh

2013-08-26T23:59:59.000Z

226

Erasing the traces of classical mechanics in ionization of H{sub 2} by quantum interferences  

SciTech Connect

The single ionization of hydrogen molecules by fast electron impact is studied theoretically for transitions from the ground (gerade) state to final ground (gerade) and first-excited (ungerade) states of H{sub 2}{sup +}. It is shown that under definite conditions and for particular orientations of the molecule, the main physical features of the ionization reaction, which are the binary and recoil peaks usually associated with classical mechanisms, are completely erased by quantum interference effects that resemble the ones predicted previously for photoionization reactions. However, these new effects cannot be derived from photoionization results, as the electromagnetic field cannot transfer momentum. In addition, it is found that the emission spectra of transitions leading to the final gerade and ungerade states of the H{sub 2}{sup +} residual target are analogous in certain cases to the patterns of two sources emitting waves in phase or antiphase, respectively. Finally, we show how an average of the emission from randomly oriented molecules produces a binary peak at the classical expected position, in agreement with experiments.

Fojon, O. A.; Stia, C. R.; Rivarola, R. D. [Laboratorio de Colisiones Atomicas and Instituto de Fisica Rosario, CONICET-UNR, Avenida Pellegrini 250, 2000 Rosario (Argentina)

2011-09-15T23:59:59.000Z

227

Semiclassical anomalies of the quantum mechanical systems and their modifications for the asymptotic matching  

SciTech Connect

JWKB solutions to the Initial Value Problems (IVPs) of the Time Independent Schrodinger's Equation (TISE) for the Simple Linear Potentials (SLPs) with a turning point parameter have been studied according to the turning points by graphical analysis to test the results of the JWKB solutions and suggested modifications. The anomalies happening in the classically inaccessible region where the SLP function is smaller than zero and the results of the suggested modifications, which are in consistent with the quantum mechanical theories, to remove these anomalies in this region have been presented. The origins of the anomalies and verifications of the suggested modifications showing a great success in the results have also been studied in terms of a suggested M{sub ij}=S{sup {approx}}{sub i-1,j} matrix elements made up of the JWKB expansion terms, S{sub i-1,j} (where i = 1, 2, 3 and j 1, 2). The results of the modifications for the IVPs and their application to the Bound State Problems (BSPs) with an example application of the Harmonic Oscillator (HO) have been presented and their generalization for any potential function have been discussed and classified accordingly.

Deniz, Coskun, E-mail: coskun.deniz@ege.edu.tr [Ege University, Faculty of Science, Department of Physics, Bornova 35100, Izmir (Turkey)

2011-08-15T23:59:59.000Z

228

Relativity in binary systems as root of quantum mechanics and space-time  

E-Print Network (OSTI)

Inspired by Bohr's dictum that "physical phenomena are observed relative to different experimental setups", this article investigates the notion of relativity in Bohr's sense, starting from a set of binary elements. The most general form of information coding within such sets requires a description by four-component states. By using Bohr's dictum as a guideline a quantum mechanical description of the set is obtained in the form of a SO(3,2) based spin network. For large (macroscopic) sub-networks a flat-space approximation of SO(3,2) leads to a Poincare symmetrical Hilbert space. The concept of a position of four-component spinors relative to macroscopic sub-networks then delivers the description of 'free' massive spin-1/2 particles with a Poincare symmetrical Hilbert space. Hence Minkowskian space-time, equipped with spin-1/2 particles, is obtained as an inherent property of a system of binary elements when individual elements are described relative to macroscopic sub-systems.

W. Smilga

2004-08-14T23:59:59.000Z

229

Does Quantum Mechanics Clash with the Equivalence Principle - and Does it Matter?  

E-Print Network (OSTI)

With an eye on developing a quantum theory of gravity, many physicists have recently searched for quantum challenges to the equivalence principle of general relativity. However, as historians and philosophers of science are well aware, the principle of equivalence is not so clear. When clarified, we think quantum tests of the equivalence principle won't yield much. The problem is that the clash/not-clash is either already evident or guaranteed not to exist. Nonetheless, this work does help teach us what it means for a theory to be geometric.

Okon, Elias

2010-01-01T23:59:59.000Z

230

Quantum Histories and Quantum Gravity  

E-Print Network (OSTI)

This paper reviews the histories approach to quantum mechanics. This discussion is then applied to theories of quantum gravity. It is argued that some of the quantum histories must approximate (in a suitable sense) to classical histories, if the correct classical regime is to be recovered. This observation has significance for the formulation of new theories (such as quantum gravity theories) as it puts a constraint on the kinematics, if the quantum/classical correspondence principle is to be preserved. Consequences for quantum gravity, particularly for Lorentz symmetry and the idea of "emergent geometry", are discussed.

Joe Henson

2009-01-26T23:59:59.000Z

231

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

E-Print Network (OSTI)

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 ...

Shirasaki, Yasuhiro

2013-01-01T23:59:59.000Z

232

Adaptive DFT-based interferometer fringe tracking  

Science Conference Proceedings (OSTI)

An automatic interferometer fringe tracking system has been developed, implemented, and tested at the Infrared Optical Telescope Array (IOTA) Observatory at Mount Hopkins, Arizona. The system can minimize the optical path differences (OPDs) for all three ... Keywords: DFT, IOTA, fringe tracking, interferometry, real time

Edward Wilson; Ettore Pedretti; Jesse Bregman; Robert W. Mah; Wesley A. Traub

2005-01-01T23:59:59.000Z

233

Quantum Mechanical Calculations of Charge Effects on gating the KcsA channel  

DOE Green Energy (OSTI)

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].

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

2007-02-06T23:59:59.000Z

234

Quantum Operations and Measurement  

E-Print Network (OSTI)

Quantum Operations and Measurement M.P Seevinck E-mail: M.P.Seevinck@phys.uu.nl Utrecht field in quantum physics ­ or perhaps better, a new way of doing quantum physics ­ . . . Surprisingly of these developments to the conceptual problems of quantum mechanics. In our view, the new work on quantum information

Seevinck, Michiel

235

Quantum Operations and Measurement  

E-Print Network (OSTI)

Quantum Operations and Measurement # M.P Seevinck # E­mail: M.P.Seevinck@phys.uu.nl Utrecht in quantum physics -- or perhaps better, a new way of doing quantum physics -- . . . Surprisingly, with few to the conceptual problems of quantum mechanics. In our view, the new work on quantum information changes

Seevinck, Michiel

236

Quantum mechanics of layers with a finite number of point perturbations  

Science Conference Proceedings (OSTI)

We study spectral and scatteringproperties of a spinless quantum particle confined to an infinite planar layer with hard walls containing a finite number of point perturbations. A solvable character of the model follows from the explicit form of the Hamiltonian resolvent obtained by means of Krein’s formula. We prove the existence of bound states

P. Exner; K. N?mcová

2002-01-01T23:59:59.000Z

237

A General Systems Theory for Chaos, Quantum Mechanics and Gravity for Dynamical Systems of all Space-Time Scales  

E-Print Network (OSTI)

Non-local connections, i. e. long-range space-time correlations intrinsic to the observed subatomic dynamics of quantum systems is also exhibited by macro-scale dynamical systems as selfsimilar fractal space-time fluctuations and is identified as self-organized criticality. The author has developed a general systems theory for the observed self-organized criticality applicable to dynamical systems of all space-time scales based on the concept that spatial integration of enclosed small-scale fluctuations results in the formation of large eddy circulation. The eddy energy spectrum therefore represents the statistical normal distribution according to the Central Limit Theorem. The additive amplitudes of eddies, when squared (variance or eddy kinetic energy), represent the statistical normal (probability) distribution, a result observed in the subatomic dynamics of quantum systems. The model predicts Kepler's laws of planetary motion for eddy circulation dynamics. Inverse square law of gravitation therefore applies to the eddy continuum ranging from subatomic to macro-scale dynamical systems, e.g. weather systems. The model is similar to a superstring model for subatomic dynamics which unifies quantum mechanical and classical concepts and manifestation of matter is visualised as vibrational modes in string-like energy flow patterns. The cumulative sum of centripetal forces in a hierarchy of vortex circulations may result in the observed inverse square law form for gravitational attraction between inertial masses of the eddies.

A M Selvam

2005-03-03T23:59:59.000Z

238

Sequential Circuit Testing: From DFT to SFT  

Science Conference Proceedings (OSTI)

Sequential circuit testing is an active research area due to its applicability, its practicality, and its complexity. This paper gives an overview of the sequential automatic test pattern generation approaches and the classical and more recent design-for-testability ... Keywords: logic testing, sequential circuit testing, DFT techniques, automatic test pattern generation, design-for-testability methods, synthesis-for-testability, SFT techniques, large sequential circuits, ATPG

R. M. Chou; K. K. Saluja

1997-01-01T23:59:59.000Z

239

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

E-Print Network (OSTI)

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

Gräter, Frauke

240

NIST 'Quantum Tuning Forks' Demonstrate Directly Coupling ...  

Science Conference Proceedings (OSTI)

... for quantum simulations, which may help explain the mechanisms of complex quantum systems such as high-temperature superconductors. ...

2011-03-02T23:59:59.000Z

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241

A bird's eye view of quantum computers  

E-Print Network (OSTI)

Quantum computers are discussed in the general framework of computation, the laws of physics and the foundations of quantum mechanics.

Giuliano Benenti; Giuliano Strini

2007-03-13T23:59:59.000Z

242

Quantum and Post Quantum Cryptography Abderrahmane Nitaj  

E-Print Network (OSTI)

Quantum and Post Quantum Cryptography Abderrahmane Nitaj Laboratoire de Math´ematiques Nicolas based on quantum mechanics for factoring large integers and computing discrete loga- rithms undermined Gamal and ECC. However, some cryptosystems, called post quantum cryptosystems, while not currently

Nitaj, Abderrahmane

243

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

Science Conference Proceedings (OSTI)

Many computational methods have been derived from quantum mechanics for molecular and extended systems. We advocate that these methods will soon become indispensable research tools of combinatorial chemistry. Although applications of these combinatorial methods driven by quantum-mechanics-derived computational engines seem to be distant, our recent experience suggests the opposite. We developed algorithms and codes to search for the most stable tautomers of molecules. In our approach, we: (i) create large libraries of molecular tautomers using combinatorial methods, and (ii) prescreen these libraries using quantum chemical electronic structure methods. We have identified many adiabatically bound and previously unknown tautomers of anionic nucleic acid bases. Our results unraveled that ordering of nucleic acid bases according to their affinity to an excess electron is: G > U > T > C > A , when all biologically relevant tautomers are considered. Acknowledgements This work was supported by the: (i) US DOE Office of Biological and Environmental Research, Low Dose Radiation Research Program (M.G.) and (ii) Polish State Committee for Scientific Research (KBN) Grant DS/8221-4-0140-4 (M.H.). M.H. thanks for financial support from the European Union Social Funds ZPORR/2.22/II/2.6/ARP/U/2/O5. M.H. is a holder of the award from the Fundation for Polish Science (FNP). R.A.B. acknowledges the financial support from Nanoquant EC Marie Curie Research Training Network, contract number: MRTN-506842. Computing resources were available through: (i) the Academic Computer Center in Gda?sk (TASK) (ii) a Computational Grand Challenge Application grant from the Molecular Sciences Computing Facility (MSCF) in the Environmental Molecular Sciences Laboratory located at the Pacific Northwest National Laboratory, and (iii) the National Energy Research Scientific Computing Center (NERSC). The MSCF is funded by DOE’s Office of Biological and Environmental Research. PNNL is operated by Battelle for the U.S. DOE under Contract DE-AC06-76RLO 1830.

Haranczyk, Maciej; Gutowski, Maciej S.

2007-03-01T23:59:59.000Z

244

A Simple Quantum-Mechanical Model of Spacetime II: Thermodynamics of Spacetime  

E-Print Network (OSTI)

In this second part of our series of two papers, where spacetime is modelled by a graph, where Planck size quantum black holes lie on the vertices, we consider the thermodynamics of spacetime. We formulate an equation which tells in which way an accelerating, spacelike two-surface of spacetime interacts with the thermal radiation flowing through that surface. In the low temperature limit, where most quantum black holes constituting spacetime are assumed to lie in the ground state, our equation implies, among other things, the Hawking and the Unruh effects, as well as Einstein's field equation with a vanishing cosmological constant for general matter fields. We also consider the high temperature limit, where the microscopic black holes are assumed to lie in highly excited states. In this limit our model implies, among other things, that black hole entropy depends logarithmically on its area, instead of being proportional to the area.

J. Makela

2008-05-26T23:59:59.000Z

245

Mechanism of terahertz photoconductivity in semimetallic HgTe/CdHgTe quantum wells  

Science Conference Proceedings (OSTI)

Terahertz photoconductivity in magnetic fields in semimetallic HgTe/CdHgTe quantum wells has been studied. The main contribution to photoconductivity comes from a signal that appears as a result of electron-gas heating. It is shown that, with the cyclotron resonance conditions satisfied, the photoconductivity signal is composed of cyclotron-resonance and bolometric components. However, in this case too, the bolometric contribution predominates.

Vasilyev, Yu. B., E-mail: yu.vasilyev@mail.ioffe.ru [Russian Academy of Sciences, Ioffe Physical-Technical Institute (Russian Federation); Mikhailov, N. N. [Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation); Gouider, F. [Institut fuer Angewandte Physik (Germany); Vasilyeva, G. Yu. [St. Petersburg State Polytechnic University (Russian Federation); Nachtwei, G. [Institut fuer Angewandte Physik (Germany)

2012-05-15T23:59:59.000Z

246

Symmetry, Self-Duality and the Jordan Structure of Quantum Mechanics  

E-Print Network (OSTI)

I explore several related routes to deriving the Jordan-algebraic structure of finite-dimensional quantum theory from more transparent operational or physical principles, mainly involving ideas about the symmetries of, and the correlations between, probabilistic models. The key tool is the Koecher-Vinberg Theorem, which identifies formally real Jordan algebras with finite-dimensional order-unit spaces having homogeneous, self-dual cones.

Alexander Wilce

2011-10-30T23:59:59.000Z

247

Information content of financial markets: a practical approach based on Bohmian quantum mechanics  

E-Print Network (OSTI)

The Bohmian quantum approach is implemented to analyze the financial markets. In this approach, there is a wave function that leads to a quantum potential. This potential can explain the relevance and entanglements of the agent's behaviors with the past. The light is shed by considering the relevance of the market conditions with the previous market conditions enabling the conversion of the local concepts to the global ones. We have shown that there are two potential limits for each market. In essence, these potential limits act as a boundary which limits the return values inside it. By estimating the difference between these two limits in each market, it is found that the quantum potentials of the return time series in different time scales, possess a scaling behavior. The slopes of the scaling behaviors in mature, emerging and commodity markets show different patterns. The emerge market having a slope greater than 0.5, has a higher value compared to the corresponding values for the mature and commodity mark...

Tahmasebi, F; Namaki, A; Jafari, G R

2012-01-01T23:59:59.000Z

248

A DFT investigation of methanolysis and hydrolysis of triacetin  

E-Print Network (OSTI)

The thermodynamic and kinetic aspects of the methanolysis and hydrolysis reactions of glycerol triacetate or triacetin, a model triacylglycerol compound, were investigated by using Density Functional Theory (DFT) at the B3LYP/6-31++G(d,p) level of calculation. Twelve elementary steps of triacetin methanolysis were studied under acid-catalyzed and base-catalyzed conditions. The mechanism of acid-catalyzed methanolysis reaction which has not been reported yet for any esters was proposed. The effects of substitution, methanolysis/hydrolysis position, solvent and face of nucleophilic attack on the free energy of reaction and activation energy were examined. The prediction confirmed the facile position at the middle position of glycerol observed by NMR techniques. The calculated activation energy and the trends of those factors agree with existing experimental observations in biodiesel production.

Limpanuparb, Taweetham; Tantirungrotechai, Yuthana; 10.1016/j.theochem.2010.05.022

2012-01-01T23:59:59.000Z

249

Quantum-Mechanical Model of Spacetime I: Microscopic Properties of Spacetime  

E-Print Network (OSTI)

This is the first part in a series of two papers, where we consider a specific microscopic model of spacetime. In our model Planck size quantum black holes are taken to be the fundamental building blocks of space and time. Spacetime is assumed to be a graph, where black holes lie on the vertices. In this first paper we construct our model in details, and show how classical spacetime emerges at the long distance limit from our model. We also consider the statistics of spacetime.

Makela, J

2008-01-01T23:59:59.000Z

250

A Simple Quantum-Mechanical Model of Spacetime I: Microscopic Properties of Spacetime  

E-Print Network (OSTI)

This is the first part in a series of two papers, where we consider a specific microscopic model of spacetime. In our model Planck size quantum black holes are taken to be the fundamental building blocks of space and time. Spacetime is assumed to be a graph, where black holes lie on the vertices. In this first paper we construct our model in details, and show how classical spacetime emerges at the long distance limit from our model. We also consider the statistics of spacetime.

J. Makela

2008-05-26T23:59:59.000Z

251

Bohmian Mechanics  

E-Print Network (OSTI)

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.

Detlef Duerr; Sheldon Goldstein; Roderich Tumulka; Nino Zanghi

2009-03-15T23:59:59.000Z

252

Time-dependent simulations of large-scale quantum mechanical processes  

SciTech Connect

Time dependent linear and nonlinear equations govern the evolution of an extensive set of physical systems and processes describing, to enumerate just a few, Bose-Einstein condensates; soliton propagation in optical and photonic band-gap fibers; quantum control of atomic and molecular collisions and reactions; highly-compressed liquids; and dense and ultracold plasmas. While the media vary substantially, the basic computational procedures have many common features. We focus on the nonlinear Schrodinger equation and discuss two powerful approaches to its propagation: the Arnoldi/Lanczos(AL)l and Real Space Product Formula(RSPF)2. Both provide efficient systematic approximations to the short-time exponential propagator that moves the solution between time steps. We implement the former in a discrete variable representation (DVR)3 both in spatial grid and finite element forms and the latter in a spatial mesh with a finite difference representation of the kinetic energy operator. Both approaches require O(N) operations to propagate the wavefunction between time steps and handle multidimensional systems. We shall also draw connections with Liouville formulations used in quantum molecular dynamics simulations of large collections of atoms and molecules. After briefly outlining these formulations, we shall discuss some of the varied applications.

Collins, L. A. (Lee A.)

2002-01-01T23:59:59.000Z

253

From Quantum Cheating to Quantum Security  

E-Print Network (OSTI)

For thousands of years, code-makers and code-breakers have been competing for supremacy. Their arsenals may soon include a powerful new weapon: quantum mechanics. We give an overview of quantum cryptology as of November 2000.

Daniel Gottesman; Hoi-Kwong Lo

2001-11-19T23:59:59.000Z

254

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

Science Conference Proceedings (OSTI)

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

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

2008-01-15T23:59:59.000Z

255

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

E-Print Network (OSTI)

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.

Leung, Kevin

2013-01-01T23:59:59.000Z

256

A Quantum Mechanical Model of the Reissner-Nordstrom Black Hole  

E-Print Network (OSTI)

We consider a Hamiltonian quantum theory of spherically symmetric, asymptotically flat electrovacuum spacetimes. The physical phase space of such spacetimes is spanned by the mass and the charge parameters $M$ and $Q$ of the Reissner-Nordström black hole, together with the corresponding canonical momenta. In this four-dimensional phase space, we perform a canonical transformation such that the resulting configuration variables describe the dynamical properties of Reissner-Nordström black holes in a natural manner. The classical Hamiltonian written in terms of these variables and their conjugate momenta is replaced by the corresponding self-adjoint Hamiltonian operator, and an eigenvalue equation for the ADM mass of the hole, from the point of view of a distant observer at rest, is obtained. Our eigenvalue equation implies that the ADM mass and the electric charge spectra of the hole are discrete, and the mass spectrum is bounded below. Moreover, the spectrum of the quantity $M^2-Q^2$ is strictly positive wh...

Mäkelä, J M; Makela, Jarmo; Repo, Pasi

1998-01-01T23:59:59.000Z

257

Quantum Dating Market  

E-Print Network (OSTI)

We consider the dating market decision problem under the quantum mechanics point of view. Quantum states whose associated amplitudes are modified by men strategies are used to represent women. Grover quantum search algorithm is used as a playing strategy. Success is more frequently obtained by playing quantum than playing classic.

O. G. Zabaleta; C. M. Arizmendi

2010-03-04T23:59:59.000Z

258

Quantum Statistics Madalin Guta  

E-Print Network (OSTI)

Quantum Statistics Madalin Gut¸a School of Mathematics University of Nottingham 1 #12;The old paradigm Quantum Mechanics up to the 80's Quantum measurements have random results Only probability particles, any more than we can raise Ichtyosauria in the zoo 2 #12;The new paradigm Individual quantum

Guta, Madalin

259

Quantum Walks Norio Konno  

E-Print Network (OSTI)

Quantum Walks Norio Konno Yokohama National University Two types of quantum (random) walks, discrete-time (coined) or continuous- time, were introduced as the quantum mechanical extension of the corresponding classical random walks in connection with quantum computing and have been extensively studied over

Schürmann, Michael

260

A Quantum Mechanical Model of the Reissner-Nordstrom Black Hole  

E-Print Network (OSTI)

We consider a Hamiltonian quantum theory of spherically symmetric, asymptotically flat electrovacuum spacetimes. The physical phase space of such spacetimes is spanned by the mass and the charge parameters $M$ and $Q$ of the Reissner-Nordstr\\"{o}m black hole, together with the corresponding canonical momenta. In this four-dimensional phase space, we perform a canonical transformation such that the resulting configuration variables describe the dynamical properties of Reissner-Nordstr\\"{o}m black holes in a natural manner. The classical Hamiltonian written in terms of these variables and their conjugate momenta is replaced by the corresponding self-adjoint Hamiltonian operator, and an eigenvalue equation for the ADM mass of the hole, from the point of view of a distant observer at rest, is obtained. Our eigenvalue equation implies that the ADM mass and the electric charge spectra of the hole are discrete, and the mass spectrum is bounded below. Moreover, the spectrum of the quantity $M^2-Q^2$ is strictly positive when an appropriate self-adjoint extension is chosen. The WKB analysis yields the result that the large eigenvalues of the quantity $\\sqrt{M^2-Q^2}$ are of the form $\\sqrt{2n}$, where $n$ is an integer. It turns out that this result is closely related to Bekenstein's proposal on the discrete horizon area spectrum of black holes.

Jarmo Makela; Pasi Repo

1997-08-15T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

Multiparty quantum protocols for assisted entanglement distillation  

Science Conference Proceedings (OSTI)

Quantum information theory is a multidisciplinary field whose objective is to understand what happens when information is stored in the state of a quantum system. Quantum mechanics provides us with a new resource, called quantum entanglement, ...

Nicolas Dutil

2011-01-01T23:59:59.000Z

262

Tb0.5Bi0.5MnO3: New material. A DFT study  

Science Conference Proceedings (OSTI)

In the present work we have determined the band structure and the densities of states (DOS) of Tb0.5Bi0.5MnO3 in cubic phase using the density functional theory (DFT). The determination of the lattice constant was ... Keywords: 61.50.-f, 62.20.-x, 71.15.Nc, 71.20.-b, 71.55.Ht, 75.20.En, Band structure, DFT, Density of states, Magnetic properties, Mechanical and structural properties, Tb1-xBixMnO3

Miguel Grizalez; M. Jairo Arbey Rodríguez; Jesús Heiras; P. Prieto

2008-03-01T23:59:59.000Z

263

Quantum-mechanical model of the Kerr-Newman black hole  

E-Print Network (OSTI)

We consider a Hamiltonian quantum theory of stationary spacetimes containing a Kerr-Newman black hole. The physical phase space of such spacetimes is just six-dimensional, and it is spanned by the mass $M$, the electric charge $Q$ and angular momentum $J$ of the hole, together with the corresponding canonical momenta. In this six-dimensional phase space we perform a canonical transformation such that the resulting configuration variables describe the dynamical properties of Kerr-Newman black holes in a natural manner. The classical Hamiltonian written in terms of these variables and their conjugate momenta is replaced by the corresponding self-adjoint Hamiltonian operator and an eigenvalue equation for the Arnowitt-Deser-Misner (ADM) mass of the hole, from the point of view of a distant observer at rest, is obtained. In a certain very restricted sense, this eigenvalue equation may be viewed as a sort of "Schr\\"odinger equation of black holes". Our "Schr\\"odinger equation" implies that the ADM mass, electric charge and angular momentum spectra of black holes are discrete, and the mass spectrum is bounded from below. Moreover, the spectrum of the quantity $M^2-Q^2-a^2$, where $a$ is the angular momentum per unit mass of the hole, is strictly positive when an appropriate self-adjoint extension is chosen. The WKB analysis yields the result that the large eigenvalues of $M$, $Q$ and $a$ are of the form $\\sqrt{2n}$, where $n$ is an integer. It turns out that this result is closely related to Bekenstein's proposal on the discrete horizon area spectrum of black holes.

J. Makela; P. Repo; M. Luomajoki; J. Piilonen

2000-12-15T23:59:59.000Z

264

Quantum walks: a comprehensive review  

E-Print Network (OSTI)

Quantum walks, the quantum mechanical counterpart of classical random walks, is an advanced tool for building quantum algorithms that has been recently shown to constitute a universal model of quantum computation. Quantum walks is now a solid field of research of quantum computation full of exciting open problems for physicists, computer scientists, mathematicians and engineers. In this paper we review theoretical advances on the foundations of both discrete- and continuous-time quantum walks, together with the role that randomness plays in quantum walks, the connections between the mathematical models of coined discrete quantum walks and continuous quantum walks, the quantumness of quantum walks, a summary of papers published on discrete quantum walks and entanglement as well as a succinct review of experimental proposals and realizations of discrete-time quantum walks. Furthermore, we have reviewed several algorithms based on both discrete- and continuous-time quantum walks as well as a most important resul...

Venegas-Andraca, Salvador E

2012-01-01T23:59:59.000Z

265

Quantum Computation Quantum Information  

E-Print Network (OSTI)

Quantum Computation and Quantum Information Samuel J. Lomonaco, Jr. and Howard E. Brandt editors Searches with a Quantum Robot .............................................. 12 pages Benioff, Paul Perturbation Theory and Numerical Modeling Quantum Logic Operations with a Large of Qubits

Lomonaco Jr., Samuel J.

266

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

NLE Websites -- All DOE Office Websites (Extended Search)

Session #1: Cutting Edge Methodologies (beyond Current DFT) Moderator: Shengbai Zhang (RPI/ REL) Topics to be addressed: Benchmarking state-of-the-art approaches, accurate energy landscape. Identify problems with the current DFT-LDA and GGA approaches and possible pathways to overcome these problems. PBE PBE How Bad is DFT for vdW Interactions? fcc Ar Benzene dimer PBE LDA Exp CCSD(T) LDA PBE vdW Interaction between H 2 and Carbon � PBE Graphene CCSD(T) LDA Benzene omitted in the LDA and GGA van der Walls (vdW)-DFT: Langreth, Kohn � Fully nonlocal � functional: � � Long-range nonlocal correlation energy functional (omitted in the LDA and GGA) ) ( � Computational cost considerably more than GGA � Added as post-GGA energy correction but force

267

Property of Zero-Energy Flows and Creations and Annihilations of Vortices in Quantum Mechanics  

E-Print Network (OSTI)

Time-dependent processes accompanied by vortex creations and annihilations are investigated in terms of the eigenstates in conjugate spaces of Gel'fand triplets in 2-dimensions. Creations and annihilations of vortices are described by the insertions of unstable eigenstates with complex-energy eigenvalues into stable states written by the superposition of eigenstates with zero-energy eigenvalues. Some concrete examples are presented in terms of the eigenfunctions of the 2-dimensional parabolic potential barrier, i.e., $-m \\gamma^2 (x^2+y^2)/2$. We show that the processes accompanied by vortex creations and annihilations can be analyzed in terms of the eigenfunctions in the conjugate spaces of Gel'fand triplets. Throughout these examinations we point out three interesting properties of the zero-energy flows. (i) Mechanisms using the zero-energy flows are absolutely economical from the viewpoint of energy consumption. (ii) An enormous amount of informations can be discriminated in terms of the infinite variety of the zero-energy flows. (iii) The zero-energy flow patterns are absolutely stable in any disturbance by inserting arbitrary decaying flows with complex-energy eigenvalues.

Tsunehiro Kobayashi

2002-11-19T23:59:59.000Z

268

Biased nonlocal quantum games  

E-Print Network (OSTI)

We address the question of when quantum entanglement is a useful resource for information processing tasks by presenting a new class of nonlocal games that are simple, direct, generalizations of the Clauser Horne Shimony Holt game. For some ranges of the parameters that specify the games, quantum mechanics offers an advantage, while, surprisingly, for others quantum mechanics is no more powerful than classical mechanics in performing the nonlocal task. This sheds new light on the difference between classical, quantum and super-quantum correlations.

Thomas Lawson; Noah Linden; Sandu Popescu

2010-11-29T23:59:59.000Z

269

Quantum transducer in circuit optomechanics  

E-Print Network (OSTI)

Mechanical resonators are macroscopic quantum objects with great potential. They couple to many different quantum systems such as spins, optical photons, cold atoms, and Bose Einstein condensates. It is however difficult to measure and manipulate the phonon state due to the tiny motion in the quantum regime. On the other hand, microwave resonators are powerful quantum devices since arbitrary photon state can be synthesized and measured with a quantum tomography. We show that a linear coupling, strong and controlled with a gate voltage, between the mechanical and the microwave resonators enables to create quantum phonon states, manipulate hybrid entanglement between phonons and photons and generate entanglement between two mechanical oscillators. In circuit quantum optomechanics, the mechanical resonator acts as a quantum transducer between an auxiliary quantum system and the microwave resonator, which is used as a quantum bus.

Didier, Nicolas; Blanter, Yaroslav M; Fazio, Rosario

2012-01-01T23:59:59.000Z

270

Fundamental decoherence in quantum gravity  

E-Print Network (OSTI)

A recently introduced discrete formalism allows to solve the problem of time in quantum gravity in a relational manner. Quantum mechanics formulated with a relational time is not exactly unitary and implies a fundamental mechanism for decoherence of quantum states. The mechanism is strong enough to render the black hole information puzzle unobservable.

Rodolfo Gambini; Rafael Porto; Jorge Pullin

2005-01-09T23:59:59.000Z

271

Quantum Algorithms for Quantum Field Theories  

E-Print Network (OSTI)

Quantum field theory reconciles quantum mechanics and special relativity, and plays a central role in many areas of physics. We develop a quantum algorithm to compute relativistic scattering probabilities in a massive quantum field theory with quartic self-interactions (phi-fourth theory) in spacetime of four and fewer dimensions. Its run time is polynomial in the number of particles, their energy, and the desired precision, and applies at both weak and strong coupling. In the strong-coupling and high-precision regimes, our quantum algorithm achieves exponential speedup over the fastest known classical algorithm.

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

2011-11-15T23:59:59.000Z

272

Quantum Algorithms for Quantum Field Theories  

E-Print Network (OSTI)

Quantum field theory reconciles quantum mechanics and special relativity, and plays a central role in many areas of physics. We develop a quantum algorithm to compute relativistic scattering probabilities in a massive quantum field theory with quartic self-interactions (phi-fourth theory) in spacetime of four and fewer dimensions. Its run time is polynomial in the number of particles, their energy, and the desired precision, and applies at both weak and strong coupling. In the strong-coupling and high-precision regimes, our quantum algorithm achieves exponential speedup over the fastest known classical algorithm.

Jordan, Stephen P; Preskill, John

2011-01-01T23:59:59.000Z

273

Quantum Money  

Science Conference Proceedings (OSTI)

Quantum Money. Purpose: ... I will present a concrete quantum money scheme based on quantum superpositions of diagrams that encode knots. ...

2011-10-25T23:59:59.000Z

274

Quantum optical experiments and fundamentals of quantum theory  

E-Print Network (OSTI)

Quantum optical experiments and fundamentals of quantum theory Miloslav Dusek Department of Optics, Palacky University 17. listopadu 50, 772 00 Olomouc, Czech Republic ABSTRACT Quantum optics has o ered new possibilities for experimental tests of basic principles of quantum mechanics. It enables us to experimentally

Dusek, Miloslav

275

Solution of a three-body problem in quantum mechanics using sparse linear algebra on parallel computers  

Science Conference Proceedings (OSTI)

A complete description of two outgoing electrons following an ionizing collision between a single electron and an atom or molecule has long stood as one of the unsolved fundamental problems in quantum collision theory. In this paper we describe our use ...

Mark Baertschy; Xiaoye Li

2001-11-01T23:59:59.000Z

276

Parity splitting and E1/E2 branching in the alternating parity band of {sup 240}Pu from two-center octupole wave functions using supersymmetric quantum mechanics  

Science Conference Proceedings (OSTI)

An interpretation is suggested of the recently published experimental data on the alternating parity bands in {sup 240}Pu. The interpretation is based on the assumption that the main role in the description of the properties of the alternating parity bands plays the octupole mode which preserves the axial symmetry. The mathematical technique of the supersymmetric quantum mechanics is used for the realization of the model with the two-center octupole wave functions. A good description of the parity splitting and of the ratio of the dipole and quadrupole transitional moments is obtained for the first two bands.

Jolos, R. V. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Institut fuer Kernphysik der Universitaet zu Koeln, D-50937 Koeln (Germany); Brentano, P. von [Institut fuer Kernphysik der Universitaet zu Koeln, D-50937 Koeln (Germany)

2011-08-15T23:59:59.000Z

277

STATISTICAL MECHANICS AND FIELD THEORY  

E-Print Network (OSTI)

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

Samuel, S.A.

2010-01-01T23:59:59.000Z

278

On Quantum Capacity and its Bound  

E-Print Network (OSTI)

The quantum capacity of a pure quantum channel and that of classical-quantum-classical channel are discussed in detail based on the fully quantum mechanical mutual entropy. It is proved that the quantum capacity generalizes the so-called Holevo bound.

Masanori Ohya; Igor V. Volovich

2004-06-29T23:59:59.000Z

279

Quantum error control codes  

E-Print Network (OSTI)

It is conjectured that quantum computers are able to solve certain problems more quickly than any deterministic or probabilistic computer. For instance, Shor's algorithm is able to factor large integers in polynomial time on a quantum computer. A quantum computer exploits the rules of quantum mechanics to speed up computations. However, it is a formidable task to build a quantum computer, since the quantum mechanical systems storing the information unavoidably interact with their environment. Therefore, one has to mitigate the resulting noise and decoherence effects to avoid computational errors. In this dissertation, I study various aspects of quantum error control codes - the key component of fault-tolerant quantum information processing. I present the fundamental theory and necessary background of quantum codes and construct many families of quantum block and convolutional codes over finite fields, in addition to families of subsystem codes. This dissertation is organized into three parts: Quantum Block Codes. After introducing the theory of quantum block codes, I establish conditions when BCH codes are self-orthogonal (or dual-containing) with respect to Euclidean and Hermitian inner products. In particular, I derive two families of nonbinary quantum BCH codes using the stabilizer formalism. I study duadic codes and establish the existence of families of degenerate quantum codes, as well as families of quantum codes derived from projective geometries. Subsystem Codes. Subsystem codes form a new class of quantum codes in which the underlying classical codes do not need to be self-orthogonal. I give an introduction to subsystem codes and present several methods for subsystem code constructions. I derive families of subsystem codes from classical BCH and RS codes and establish a family of optimal MDS subsystem codes. I establish propagation rules of subsystem codes and construct tables of upper and lower bounds on subsystem code parameters. Quantum Convolutional Codes. Quantum convolutional codes are particularly well-suited for communication applications. I develop the theory of quantum convolutional codes and give families of quantum convolutional codes based on RS codes. Furthermore, I establish a bound on the code parameters of quantum convolutional codes - the generalized Singleton bound. I develop a general framework for deriving convolutional codes from block codes and use it to derive families of non-catastrophic quantum convolutional codes from BCH codes. The dissertation concludes with a discussion of some open problems.

Abdelhamid Awad Aly Ahmed, Sala

2008-05-01T23:59:59.000Z

280

Quantum Structures and their Future Diederik Aerts  

E-Print Network (OSTI)

Quantum Structures and their Future Importance Diederik Aerts FUND and CLEA, Brussels Free physical and mathematical base. The development of quantum mechanics proceeded in a rather haphazard manner, quantum mechanics, com- monly referred to as the `old quantum theory', did not even possess a coherent

Aerts, Diederik

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


281

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

E-Print Network (OSTI)

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 ...

Adams, Allan

282

Quantum groups  

Science Conference Proceedings (OSTI)

The theory of Quantum groups, although rather young, since the expression Quantum ... introduction of a suitable form of the quantum group, the algebra A ...

283

Magnetic Blockade Mechanism for Quantum Nucleation of Superconducting Vortex-Antivortex Pairs in Zero External Magnetic Field  

E-Print Network (OSTI)

We propose a magnetic dual of the Coulomb blockade effect for quantum nucleation of flux vortex pairs in high-Tc superconducting (HTS) films and grain boundaries in zero applied field. The magnetic blockade instability occurs at {\\theta} = {\\pi}, where {\\theta} is the "vacuum" or theta angle. The {\\theta} term has recently been discussed in the context of several other systems, including charge and spin density waves, topological insulators, the quantum Hall effect, and spontaneous CP violation. Our model predicts a sharp pair creation threshold current at {\\theta} = {\\pi}, analogous to the Coulomb blockade voltage of a tunnel junction, and explains the observed thickness dependence of critical currents in HTS coated conductors. We use the Schr\\"odinger equation to compute the evolving macrostate amplitudes, coupled by a generalized tunneling matrix element. The simulations yield excellent quantitative agreement with measured voltage-current characteristics of bi-crystal and other HTS grain boundary junctions. The model also predicts non-sinusoidal behavior in the voltage oscillations resulting from time-correlated vortex tunneling.

J. H. Miller Jr.; A. I. Wijesinghe

2011-10-12T23:59:59.000Z

284

Quantum Computing and Lie Theory Feynman's suggestion that the only effective way to model quantum phe-  

E-Print Network (OSTI)

Quantum Computing and Lie Theory Feynman's suggestion that the only effective way to model quantum phe- nomena on a computer would be to build a computer that made use of quantum mechanics was one of the cornerstones of the birth of quantum com- puting. In his later years he studied both classical and quantum

D'Agnolo, Andrea

285

Quantum Information Science Quantum information science is one of the most  

E-Print Network (OSTI)

____ 22 Quantum Information Science Quantum information science is one of the most dynamic areas the programme focussed were: · characterising and quantifying non-local properties of quantum states and operations; · understanding which features of quantum mechanics are responsible for the power of quantum

286

First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes  

Science Conference Proceedings (OSTI)

We overview the nonequilibrium Green function combined with density functional theory (NEGF-DFT) approach to modeling of independent electronic and phononic quantum transport in nanoscale thermoelectrics with examples focused on a new class of devices ... Keywords: First-principles quantum transport, Graphene nanoribbons, Molecular electronics, Thermoelectrics

Branislav K. Nikoli?; Kamal K. Saha; Troels Markussen; Kristian S. Thygesen

2012-03-01T23:59:59.000Z

287

Quantum Cryptography and Quantum Computation  

E-Print Network (OSTI)

Quantum Cryptography and Quantum Computation Network Security Course Project Report by Hidayath.2 Bases of the Hilbert space . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 2.3 Quantum principle . . . . . . . . . . . . . . . . . . . . . . 5 3 Quantum Cryptography 6 3.1 The BB84 protocol

North Carolina at Chapel Hill, University of

288

Transforming quantum operations: quantum supermaps  

E-Print Network (OSTI)

We introduce the concept of quantum supermap, describing the most general transformation that maps an input quantum operation into an output quantum operation. Since quantum operations include as special cases quantum states, effects, and measurements, quantum supermaps describe all possible transformations between elementary quantum objects (quantum systems as well as quantum devices). After giving the axiomatic definition of supermap, we prove a realization theorem, which shows that any supermap can be physically implemented as a simple quantum circuit. Applications to quantum programming, cloning, discrimination, estimation, information-disturbance trade-off, and tomography of channels are outlined.

G. Chiribella; G. M. D'Ariano; P. Perinotti

2008-04-01T23:59:59.000Z

289

Quantum Communication Technology  

E-Print Network (OSTI)

Quantum communication is built on a set of disruptive concepts and technologies. It is driven by fascinating physics and by promising applications. It requires a new mix of competencies, from telecom engineering to theoretical physics, from theoretical computer science to mechanical and electronic engineering. First applications have already found their way to niche markets and university labs are working on futuristic quantum networks, but most of the surprises are still ahead of us. Quantum communication, and more generally quantum information science and technologies, are here to stay and will have a profound impact on the XXI century.

Gisin, Nicolas

2010-01-01T23:59:59.000Z

290

Quantum Buckling  

E-Print Network (OSTI)

We study the mechanical buckling of a two dimensional membrane coated with a thin layer of superfluid. It is seen that a singularity (vortex or anti-vortex defect) in the phase of the quantum order parameter, distorts the membrane metric into a negative conical singularity surface, irrespective of the defect sign. The defect-curvature coupling and the observed instability is in striking contrast with classical elasticity where, the in-plane strain induced by positive (negative) disclinations is screened by a corresponding positive (negative) conical singularity surface. Defining a dimensionless ratio between superfluid stiffness and membrane bending modulus, we derive conditions under which the quantum buckling instability occurs. An ansatz for the resulting shape of the buckled membrane is analytically and numerically confirmed.

N. Upadhyaya; V. Vitelli

2011-06-23T23:59:59.000Z

291

Nonlinear Quantum Gravity  

E-Print Network (OSTI)

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.

George Svetlichny

2006-02-01T23:59:59.000Z

292

Quantum History cannot be Copied  

E-Print Network (OSTI)

We show that unitarity does not allow cloning of any two points in a ray. This has implication for cloning of the geometric phase information in a quantum state. In particular, the quantum history which is encoded in the geometric phase during cyclic evolution of a quantum system cannot be copied. We also prove that the generalized geometric phase information cannot be copied by a unitary operation. We argue that our result also holds in the consistent history formulation of quantum mechanics.

Arun K. Pati

2005-07-26T23:59:59.000Z

293

Multiphoton Quantum Optics and Quantum State Engineering  

E-Print Network (OSTI)

We present a review of theoretical and experimental aspects of multiphoton quantum optics. Multiphoton processes occur and are important for many aspects of matter-radiation interactions that include the efficient ionization of atoms and molecules, and, more generally, atomic transition mechanisms; system-environment couplings and dissipative quantum dynamics; laser physics, optical parametric processes, and interferometry. A single review cannot account for all aspects of such an enormously vast subject. Here we choose to concentrate our attention on parametric processes in nonlinear media, with special emphasis on the engineering of nonclassical states of photons and atoms that are relevant for the conceptual investigations as well as for the practical applications of forefront aspects of modern quantum mechanics. We present a detailed analysis of the methods and techniques for the production of genuinely quantum multiphoton processes in nonlinear media, and the corresponding models of multiphoton effective interactions. We review existing proposals for the classification, engineering, and manipulation of nonclassical

Silvio De Siena; Fabrizio Illuminati

2007-01-01T23:59:59.000Z

294

Quantum physics meets biology  

E-Print Network (OSTI)

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.

Markus Arndt; Thomas Juffmann; Vlatko Vedral

2009-11-01T23:59:59.000Z

295

Quantum Tetrahedra  

E-Print Network (OSTI)

We discuss in details the role of Wigner 6j symbol as the basic building block unifying such different fields as state sum models for quantum geometry, topological quantum field theory, statistical lattice models and quantum computing. The apparent twofold nature of the 6j symbol displayed in quantum field theory and quantum computing -a quantum tetrahedron and a computational gate- is shown to merge together in a unified quantum-computational SU(2)-state sum framework.

Mauro Carfora; Annalisa Marzuoli; Mario Rasetti

2010-01-25T23:59:59.000Z

296

A DFT Approach to Non-Covalent Interactions via Monomer Polarization and Pauli Blockade  

E-Print Network (OSTI)

We propose a "DFT+dispersion" treatment which avoids double counting of dispersion terms by deriving the dispersion-free density functional theory (DFT) interaction energy and combining it with DFT-based dispersion. The formalism involves self-consistent polarization of DFT monomers restrained by the exclusion principle via the Pauli blockade technique. Any exchange-correlation potential can be used within monomers, but only the exchange operates between them. The applications to rare-gas dimers, ion-rare gas interactions and hydrogen bonds demonstrate that the interaction energies agree with benchmark values.

Rajchel, Lukasz; Szczesniak, Malgorzata M; Chalasinski, Grzegorz

2009-01-01T23:59:59.000Z

297

Quantum Key Distribution Using Quantum Faraday Rotators  

E-Print Network (OSTI)

We propose a new quantum key distribution (QKD) protocol based on the fully quantum mechanical states of the Faraday rotators. The protocol is unconditionally secure against eavesdropping for single-photon source on a noisy environment and robust against impersonation attacks. It also allows for unconditionally secure key distribution for multiphoton source up to two photons. The protocol could be implemented experimentally with the current spintronics technology on semiconductors.

Choi, T; Choi, Mahn-Soo; Choi, Taeseung

2006-01-01T23:59:59.000Z

298

Multiphoton Quantum Optics and Quantum State Engineering  

E-Print Network (OSTI)

We present a review of theoretical and experimental aspects of multiphoton quantum optics. Multiphoton processes occur and are important for many aspects of matter-radiation interactions that include the efficient ionization of atoms and molecules, and, more generally, atomic transition mechanisms; system-environment couplings and dissipative quantum dynamics; laser physics, optical parametric processes, and interferometry. A single review cannot account for all aspects of such an enormously vast subject. Here we choose to concentrate our attention on parametric processes in nonlinear media, with special emphasis on the engineering of nonclassical states of photons and atoms. We present a detailed analysis of the methods and techniques for the production of genuinely quantum multiphoton processes in nonlinear media, and the corresponding models of multiphoton effective interactions. We review existing proposals for the classification, engineering, and manipulation of nonclassical states, including Fock states, macroscopic superposition states, and multiphoton generalized coherent states. We introduce and discuss the structure of canonical multiphoton quantum optics and the associated one- and two-mode canonical multiphoton squeezed states. This framework provides a consistent multiphoton generalization of two-photon quantum optics and a consistent Hamiltonian description of multiphoton processes associated to higher-order nonlinearities. Finally, we discuss very recent advances that by combining linear and nonlinear optical devices allow to realize multiphoton entangled states of the electromnagnetic field, that are relevant for applications to efficient quantum computation, quantum teleportation, and related problems in quantum communication and information.

F. Dell'Anno; S. De Siena; F. Illuminati

2007-01-09T23:59:59.000Z

299

Quantum Inequalities That Test Locality Dennis Dieks  

E-Print Network (OSTI)

Quantum Inequalities That Test Locality Dennis Dieks Institute for the History and Foundations.g.b.j.dieks@phys.uu.nl 20 June 2002 Abstract Quantum theory violates Bell's inequality, but not to the maxi- mum extent). These are quantum analogues of Bell inequalities, and we show that they can be used to test quantum mechanical lo

Seevinck, Michiel

300

Quantum Field Theory and Representation Theory  

E-Print Network (OSTI)

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

Woit, Peter

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


301

Quantum computers: Definition and implementations  

Science Conference Proceedings (OSTI)

The DiVincenzo criteria for implementing a quantum computer have been seminal in focusing both experimental and theoretical research in quantum-information processing. These criteria were formulated specifically for the circuit model of quantum computing. However, several new models for quantum computing (paradigms) have been proposed that do not seem to fit the criteria well. Therefore, the question is what are the general criteria for implementing quantum computers. To this end, a formal operational definition of a quantum computer is introduced. It is then shown that, according to this definition, a device is a quantum computer if it obeys the following criteria: Any quantum computer must consist of a quantum memory, with an additional structure that (1) facilitates a controlled quantum evolution of the quantum memory; (2) includes a method for information theoretic cooling of the memory; and (3) provides a readout mechanism for subsets of the quantum memory. The criteria are met when the device is scalable and operates fault tolerantly. We discuss various existing quantum computing paradigms and how they fit within this framework. Finally, we present a decision tree for selecting an avenue toward building a quantum computer. This is intended to help experimentalists determine the most natural paradigm given a particular physical implementation.

Perez-Delgado, Carlos A.; Kok, Pieter [Department of Physics and Astronomy, University of Sheffield, Hicks Building, Hounsfield Road, Sheffield, S3 7RH (United Kingdom)

2011-01-15T23:59:59.000Z

302

Quantum irreversible process in a simple model  

E-Print Network (OSTI)

We present a very simple model of a quantum system in which an irreversible process happens. The model can be used as an example of a quantum dynamical problem in introductory courses of Quantum Mechanics or as the introduction to courses on Quantum Irreversible Processes. In both cases it will help students to build some intuition on dynamical behaviour of quantum systems consisting of many degrees of freedom beyond perturbation theory and classical thermodynamics.

Wójcik, Krzysztof Piotr

2012-01-01T23:59:59.000Z

303

Quantum Institute  

NLE Websites -- All DOE Office Websites (Extended Search)

Quantum Institute Quantum Institute Quantum Institute A new research frontier awaits! Our door is open and we thrive on mutually beneficial partnerships, collaborations that drive innovations and new technologies. Contact Leader Malcolm Boshier (505) 665-8892 Email Two of LANL's most successful quantum technology initiatives: quantum cryptography and the race for quantum computer The area of quantum information, science, and technology is rapidly evolving, with important applications in the areas of quantum cryptography, quantum computing, quantum metrology, and advanced quantum-based sensors, some of which are directly relevant to the Laboratory's national security mission. Mission Foster a vigorous intellectual environment at LANL Define and develop strategic thrusts Target and pursue funding opportunities

304

Algorithmic randomness, quantum physics, and incompleteness  

Science Conference Proceedings (OSTI)

Is randomness in quantum mechanics “algorithmically random”? Is there any relation between Heisenberg's uncertainty relation and Gödel's incompleteness? Can quantum randomness be used to trespass the Turing's barrier? Can ...

Cristian S. Calude

2004-09-01T23:59:59.000Z

305

Quantum Computation: Towards the Construction of a `Between Quantum and Classical Computer'  

E-Print Network (OSTI)

Quantum Computation: Towards the Construction of a `Between Quantum and Classical Computer-Mails: diraerts@vub.ac.be, bdhooghe@vub.ac.be Abstract Using the `between quantum and classical' models that have been constructed explicitly within the hidden measurement approach of quantum mechanics we investigate

Aerts, Diederik

306

EERE PROJECT MANAGEMENT CENTER NFPA DFT1!lUIINATION  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

OFEN:rRGY OFEN:rRGY EERE PROJECT MANAGEMENT CENTER NFPA DFT1!lUIINATION Page 1 of2 RECIPIENT:Middlesex Community College STATE: MA PROJECf TITLE: Middlesex Community College - Geothermal Project Funding Opportunity Announcement Number Procurement Instrument Number NEPA Control Number CID Number N/A DE-EEOOOO323 GF0-0000323-002 EE323 Based on my review ofthe information concerning the proposed action, as NEPA Compliance Officer (authorized under DOE Order 4SI.IA), I have made the following determination: ex, EA, EIS APPENDIX AND NUMBER: Description: A9 Inf ormation gathering, analYSiS, and dissemination 82.1 Workplace enhancements B2.2 Building and equipment instrumentation Information gathering (including, but not limited to, literature surveys, inventories, site visits, and audils),

307

Quantum Locality?  

Science Conference Proceedings (OSTI)

Robert Griffiths has recently addressed, within the framework of a ‘consistent quantum theory’ (CQT) that he has developed, the issue of whether, as is often claimed, quantum mechanics entails a need for faster-than-light transfers of information over long distances. He argues, on the basis of his examination of certain arguments that claim to demonstrate the existence of such nonlocal influences, that such influences do not exist. However, his examination was restricted mainly to hidden-variable-based arguments that include in their premises some essentially classical-physics-type assumptions that are fundamentally incompatible with the precepts of quantum physics. One cannot logically prove properties of a system by attributing to the system properties alien to that system. Hence Griffiths’ rejection of hidden-variable-based proofs is logically warranted. Griffiths mentions the existence of a certain alternative proof that does not involve hidden variables, and that uses only macroscopically described observable properties. He notes that he had examined in his book proofs of this general kind, and concluded that they provide no evidence for nonlocal influences. But he did not examine the particular proof that he cites. An examination of that particular proof by the method specified by his ‘consistent quantum theory’ shows that the cited proof is valid within that restrictive framework. This necessary existence, within the ‘consistent’ framework, of long range essentially instantaneous influences refutes the claim made by Griffiths that his ‘consistent’ framework is superior to the orthodox quantum theory of von Neumann because it does not entail instantaneous influences. An added section responds to Griffiths’ reply, which cites a litany of ambiguities that seem to restrict, devastatingly, the scope of his CQT formalism, apparently to buttress his claim that my use of that formalism to validate the nonlocality theorem is flawed. But the vagaries that he cites do not upset the proof in question. It is show here in detail why the precise statement of this theorem justifies the specified application of CQT. It is also shown, in response to his challenge, why a putative proof of locality that he has proposed is not valid.

Stapp, Henry

2011-11-10T23:59:59.000Z

308

Bohmian Mechanics Detlef Durr, Sheldon Goldstein,  

E-Print Network (OSTI)

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

Goldstein, Sheldon

309

Quantum Harmonic Black Holes  

E-Print Network (OSTI)

Inspired by the recent conjecture that black holes are condensates (of gravitons), we investigate a simple model for the black hole degrees of freedom that is consistent both from the point of view of Quantum mechanics and of General Relativity. Since the two perspectives should converge for small, Planck size, black holes, we expect our construction is useful for understanding the physics of microscopic, quantum black holes.

Casadio, R

2013-01-01T23:59:59.000Z

310

Smartphone data safety with quantum cryptography  

NLE Websites -- All DOE Office Websites (Extended Search)

Smartphone data safety with quantum cryptography Smartphone data safety with quantum cryptography Smartphone data safety with quantum cryptography Laws of quantum physics and information theory ensure that smartphones with QKarD could never be compromised. January 20, 2012 The QKarD encodes security keys on a photon using quantum mechanical principles. The miniature transmitter communicates with a trusted authority to generate random cryptographic keys to encode and decode information. The QKarD encodes security keys on a photon using quantum mechanical principles. The laws of quantum physics and information theory ensure that these keys never can be cracked, regardless of advancements in computer technology. New technology brings quantum cryptography to handhelds Laws of quantum physics and information theory ensure that smartphones with

311

Quantum-enhanced absorption refrigerators  

E-Print Network (OSTI)

Thermodynamics is a branch of science blessed by an unparalleled combination of generality of scope and formal simplicity. Based on few natural assumptions together with the four laws, it sets the boundaries between possible and impossible in macroscopic aggregates of matter. This triggered groundbreaking achievements in physics, chemistry and engineering over the last two centuries. Close analogues of those fundamental laws are now being established at the level of individual quantum systems, thus placing limits on the operation of quantum-mechanical devices. Here we study quantum absorption refrigerators, which are driven by heat rather than external work. We establish thermodynamic performance bounds for these machines and investigate their quantum origin. We also show how those bounds may be pushed beyond what is classically achievable, by suitably tailoring the environmental fluctuations via quantum reservoir engineering techniques. Such superefficient quantum-enhanced cooling realises a promising step towards the technological exploitation of autonomous quantum refrigerators.

Luis A. Correa; José P. Palao; Daniel Alonso; Gerardo Adesso

2013-08-19T23:59:59.000Z

312

Quantum Mechanics Lecture Notes for  

E-Print Network (OSTI)

.922 Thulium (Tm) [Xe]4f13 6s2 0.880 0,04 Mendelevium (Md) [Rn]5f13 7s2 0.912 Ytterbium (Yb) [Xe]4f14 6s2 0

Bittner, Eric R.

313

Fundamental Quantum Effects from a Quantum-Optics Perspective  

E-Print Network (OSTI)

This article provides a brief overview of some fundamental effects of quantum fields under extreme conditions. For the Schwinger mechanism, Hawking radiation, and the Unruh effect, analogies to quantum optics are discussed, which might help to approach to these phenomena from an experimental point of view.

Ralf Schützhold

2010-04-14T23:59:59.000Z

314

Quantum Weak Measurements and Cosmology  

E-Print Network (OSTI)

The indeterminism of quantum mechanics generally permits the independent specification of both an initial and a final condition on the state. Quantum pre-and-post-selection of states opens up a new, experimentally testable, sector of quantum mechanics, when combined with statistical averages of identical weak measurements. In this paper I apply the theory of weak quantum measurements combined with pre-and-post-selection to cosmology. Here, pre-selection means specifying the wave function of the universe or, in a popular semi-classical approximation, the initial quantum state of a subset of quantum fields propagating in a classical back-ground spacetime. The novel feature is post-selection: the additional specification of a condition on the quantum state in the far future. I discuss "natural" final conditions, and show how they may lead to potentially large and observable effects at the present cosmological epoch. I also discuss how pre-and-post-selected quantum contrast to the expectation value of the stress-energy-momentum tensor, resolving a vigorous debate from the 1970's. The paper thus provides a framework for computing large-scale cosmological effects arising from this new sector of quantum mechanics. A simple experimental test is proposed.

Paul Davies

2013-09-03T23:59:59.000Z

315

Quantum computation and hidden variables  

E-Print Network (OSTI)

Many physicists limit oneself to an instrumentalist description of quantum phenomena and ignore the problems of foundation and interpretation of quantum mechanics. This instrumentalist approach results to "specialization barbarism" and mass delusion concerning the problem, how a quantum computer can be made. The idea of quantum computation can be described within the limits of quantum formalism. But in order to understand how this idea can be put into practice one should realize the question: "What could the quantum formalism describe?", in spite of the absence of an universally recognized answer. Only a realization of this question and the undecided problem of quantum foundations allows to see in which quantum systems the superposition and EPR correlation could be expected. Because of the "specialization barbarism" many authors are sure that Bell proved full impossibility of any hidden-variables interpretation. Therefore it is important to emphasize that in reality Bell has restricted to validity limits of the no- hidden-variables proof and has shown that two-state quantum system can be described by hidden variables. The later means that no experimental result obtained on two-state quantum system can prove the existence of superposition and violation of the realism. One should not assume before unambiguous experimental evidence that any two-state quantum system is quantum bit. No experimental evidence of superposition of macroscopically distinct quantum states and of a quantum bit on base of superconductor structure was obtained for the present. Moreover same experimental results can not be described in the limits of the quantum formalism.

V. V. Aristov; A. V. Nikulov

2010-07-12T23:59:59.000Z

316

DFT-based molecular dynamics as a new tool for computational biology: first applications and perspective  

Science Conference Proceedings (OSTI)

Static and molecular dynamics (MD) calculations based on density-functional theory (DFT) are emerging as a valuable means for simulations in the field of biology, especially when coupled with classical simulations. In this contribution, we point out ...

W. Andreoni; A. Curioni; T. Mordasini

2001-05-01T23:59:59.000Z

317

Hybrid Rotaxanes: Interlocked Structures for Quantum Computing...  

NLE Websites -- All DOE Office Websites (Extended Search)

Hybrid Rotaxanes: Interlocked Structures for Quantum Computing? Print Rotaxanes are mechanically interlocked molecular architectures consisting of a dumbbell-shaped molecule, the...

318

Multiphoton Quantum Optics and Quantum State Engineering  

E-Print Network (OSTI)

We present a review of theoretical and experimental aspects of multiphoton quantum optics. Multiphoton processes occur and are important for many aspects of matter-radiation interactions that include the efficient ionization of atoms and molecules, and, more generally, atomic transition mechanisms; system-environment couplings and dissipative quantum dynamics; laser physics, optical parametric processes, and interferometry. A single review cannot account for all aspects of such an enormously vast subject. Here we choose to concentrate our attention on parametric processes in nonlinear media, with special emphasis on the engineering of nonclassical states of photons and atoms. We present a detailed analysis of the methods and techniques for the production of genuinely quantum multiphoton processes in nonlinear media, and the corresponding models of multiphoton effective interactions. We review existing proposals for the classification, engineering, and manipulation of nonclassical states, including Fock states...

Dell'Anno, F; Illuminati, F; 10.1016/j.physrep.2006.01.004

2009-01-01T23:59:59.000Z

319

Quantum Chromodynamics  

E-Print Network (OSTI)

Quantum chromodynamics is the quantum gauge field theory that describes the strong interactions. This article reviews the basic structure, successes and challenges of quantum chromodynamics as it manifests itself at short and long distances, including the concepts of asymptotic freedom, confinement and infrared safety.

George Sterman

2005-12-27T23:59:59.000Z

320

Quantum Zeno effect: Quantum shuffling and Markovianity  

E-Print Network (OSTI)

The behavior displayed by a quantum system when it is perturbed by a series of von Neumann measurements along time is analyzed. Because of the similarity between this general process with giving a deck of playing cards a shuffle, here it is referred to as quantum shuffling, showing that the quantum Zeno and anti-Zeno effects emerge naturally as two time limits. Within this framework, a connection between the gradual transition from anti-Zeno to Zeno behavior and the appearance of an underlying Markovian dynamics is found. Accordingly, although a priori it might result counterintuitive, the quantum Zeno effect corresponds to a dynamical regime where any trace of knowledge on how the unperturbed system should evolve initially is wiped out (very rapid shuffling). This would explain why the system apparently does not evolve or decay for a relatively long time, although it eventually undergoes an exponential decay. By means of a simple working model, conditions characterizing the shuffling dynamics have been determined, which can be of help to understand and to devise quantum control mechanisms in a number of processes from the atomic, molecular and optical physics.

A. S. Sanz; C. Sanz-Sanz; T. Gonzalez-Lezana; O. Roncero; S. Miret-Artes

2011-12-16T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

Quantum Information Portal  

Science Conference Proceedings (OSTI)

... Quantum Devices; Quantum Information Technology; Quantum Key Distribution; ... Entangled photon generation in a phase-modulated, quasi ...

2013-10-23T23:59:59.000Z

322

Infinite dimensional quantum information geometry  

Science Conference Proceedings (OSTI)

We present the construction of an infinite dimensional Banach manifold of quantum mechanical states on a Hilbert space H using different types of small perturbations of a given Hamiltonian H 0 . We provide the manifold with a flat connection

Matheus R. Grasselli

2001-01-01T23:59:59.000Z

323

Quantum Cloning Machines and the Applications  

E-Print Network (OSTI)

No-cloning theorem is fundamental for quantum mechanics and for quantum information science that states an unknown quantum state cannot be cloned perfectly. However, we can try to clone a quantum state approximately with the optimal fidelity, or instead, we can try to clone it perfectly with the largest probability. Thus various quantum cloning machines have been designed for different quantum information protocols. Specifically, quantum cloning machines can be designed to analyze the security of quantum key distribution protocols such as BB84 protocol, six-state protocol, B92 protocol and their generalizations. Some well-known quantum cloning machines include universal quantum cloning machine, phase-covariant cloning machine, the asymmetric quantum cloning machine and the probabilistic quantum cloning machine etc. In the past years, much progress has been made in studying quantum cloning machines and their applications and implementations, both theoretically and experimentally. In this review, we will give a complete description of those important developments about quantum cloning and some related topics. On the other hand, this review is self-consistent, and in particular, we try to present some detailed formulations so that further study can be taken based on those results. In addition, this review also contains some new results, for example, the study of quantum retrodiction protocol.

Heng Fan; Yi-Nan Wang; Li Jing; Jie-Dong Yue; Han-Duo Shi; Yong-Liang Zhang; Liang-Zhu Mu

2013-01-14T23:59:59.000Z

324

Quantum bundles and quantum interactions  

E-Print Network (OSTI)

A geometric framework for describing quantum particles on a possibly curved background is proposed. Natural constructions on certain distributional bundles (`quantum bundles') over the spacetime manifold yield a quantum ``formalism'' along any 1-dimensional timelike submanifold (a `detector'); in the flat, inertial case this turns out to reproduce the basic results of the usual quantum field theory, while in general it could be seen as a local, ``linearized'' description of the actual physics.

Daniel Canarutto

2005-06-22T23:59:59.000Z

325

Application of quantum chemical calculations to two non-trivial cases in the field of molecular spectroscopy  

Science Conference Proceedings (OSTI)

In this paper, we illustrate the contribution of the quantum chemical calculations to the simulation of two types of spectra. In a first part, the calculations of theoretical resonance Raman spectra of transient species are presented. The comparison ... Keywords: Resonance raman intensity, TD-DFT, metal complexation, reaction pathway, transient species

C. Lapouge; J. P. Cornard

2009-04-01T23:59:59.000Z

326

Quantum Cosmology  

E-Print Network (OSTI)

We give an introduction into quantum cosmology with emphasis on its conceptual parts. After a general motivation we review the formalism of canonical quantum gravity on which discussions of quantum cosmology are usually based. We then present the minisuperspace Wheeler--DeWitt equation and elaborate on the problem of time, the imposition of boundary conditions, the semiclassical approximation, the origin of irreversibility, and singularity avoidance. Restriction is made to quantum geometrodynamics; loop quantum gravity and string theory are discussed in other contributions to this volume.

Claus Kiefer; Barbara Sandhoefer

2008-04-04T23:59:59.000Z

327

Quantum Path Interference through Incoherent Motions in Multilevel Quantum Systems  

E-Print Network (OSTI)

The fluctuating incoherent environment in the condensed phase plays an important role in the dynamics and steady states of open quantum systems. The most fascinating aspect in open quantum systems is quantum coherence induced by path interference of incoherent motions. We propose a modified Ehrenfest scheme to study the path interference of incoherent motions in multi-level quantum systems. The detailed balance is enforced by considering the quantum correction of two-time correction functions based on second order master (rate) equations. With the modified Ehrenfest method, we can study the steady state populations and other quantum observables under different thermal dynamic conditions, such as energy relaxation and non-Markovian effects. For the three level system under incoherent coupling, we show how the steady state populations are influenced by the quantum path interference of incoherent fluctuations (Agarwal-Fano-like interference). We discuss the modified Ehrenfest method and its connection with stochastic Langevin equations and second order master equations. Most existing quantum MD simulation methods, particularly Master equation techniques, fall into the category of the weak coupling limit due to the nature of detailed balance. Although the modified Ehrenfest method is amicable to second-order master equations, it is actually a better way to model the quantum path interference since it preserves multi-time memory kernels. Therefore, it enables us to study the quantum path interference. This method can be used as quantum MD simulators for large open quantum systems like solar cell, (organic) LED, etc. The future extension of this method beyond the modified Ehrenfest scheme can be done with efficient wavepacket propagation methods by treating the bath modes in full quantum mechanical way.

Xin Chen

2013-05-17T23:59:59.000Z

328

From quantum graphs to quantum random walks  

E-Print Network (OSTI)

We give a short overview over recent developments on quantum graphs and outline the connection between general quantum graphs and so-called quantum random walks.

Gregor Tanner

2005-04-29T23:59:59.000Z

329

Quantum-Bayesian Coherence  

E-Print Network (OSTI)

In a quantum-Bayesian take on quantum mechanics, the Born Rule cannot be interpreted as a rule for setting measurement-outcome probabilities from an objective quantum state. But if not, what is the role of the rule? In this paper, we argue that it should be seen as an empirical addition to Bayesian reasoning itself. Particularly, we show how to view the Born Rule as a normative rule in addition to usual Dutch-book coherence. It is a rule that takes into account how one should assign probabilities to the consequences of various intended measurements on a physical system, but explicitly in terms of prior probabilities for and conditional probabilities consequent upon the imagined outcomes of a special counterfactual reference measurement. This interpretation is seen particularly clearly by representing quantum states in terms of probabilities for the outcomes of a fixed, fiducial symmetric informationally complete (SIC) measurement. We further explore the extent to which the general form of the new normative rule implies the full state-space structure of quantum mechanics. It seems to get quite far.

Christopher A. Fuchs; Ruediger Schack

2009-06-11T23:59:59.000Z

330

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

Science Conference Proceedings (OSTI)

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

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

2011-01-15T23:59:59.000Z

331

Mechanisms for Fluorescence Blinking and Charge Carrier Trapping in Single Semiconductor Nanocrystals  

E-Print Network (OSTI)

Trapping Mechanisms in Single CdSe/ZnS Quantum Dots fromTrapping Mechanisms in Single CdSe/ZnS Quantum Dots fromintermittency of single CdSe/ZnS core/shell quantum dot

Cordones, Amy Ashbrook

2012-01-01T23:59:59.000Z

332

An investigation of precision and scaling issues in nuclear spin and trapped-ion quantum simulators  

E-Print Network (OSTI)

Quantum simulation offers the possibility of using a controllable quantum-mechanical system to implement the dynamics of another quantum system, performing calculations that are intractable on classical computers for all ...

Clark, Robert J., Ph. D. Massachusetts Institute of Technology

2009-01-01T23:59:59.000Z

333

Quantum Communications  

Science Conference Proceedings (OSTI)

... In summary, we perform research and development (R&D) in quantum communication and related measurement areas with an emphasis on ...

2013-07-24T23:59:59.000Z

334

Quantum Electrical Measurements Portal  

Science Conference Proceedings (OSTI)

NIST Home > Quantum Electrical Measurements Portal. Quantum Electrical Measurements Portal. Subject Areas. Electrical ...

2013-03-21T23:59:59.000Z

335

Quantum Networks for Generating Arbitrary Quantum States  

E-Print Network (OSTI)

Quantum protocols often require the generation of specific quantum states. We describe a quantum algorithm for generating any prescribed quantum state. For an important subclass of states, including pure symmetric states, this algorithm is efficient.

Phillip Kaye; Michele Mosca

2004-07-14T23:59:59.000Z

336

Functional quantum biology in photosynthesis and magnetoreception  

E-Print Network (OSTI)

Is there a functional role for quantum mechanics or coherent quantum effects in biological processes? While this question is as old as quantum theory, only recently have measurements on biological systems on ultra-fast time-scales shed light on a possible answer. In this review we give an overview of the two main candidates for biological systems which may harness such functional quantum effects: photosynthesis and magnetoreception. We discuss some of the latest evidence both for and against room temperature quantum coherence, and consider whether there is truly a functional role for coherence in these biological mechanisms. Finally, we give a brief overview of some more speculative examples of functional quantum biology including the sense of smell, long-range quantum tunneling in proteins, biological photoreceptors, and the flow of ions across a cell membrane.

Lambert, Neill; Cheng, Yuan-Chung; Li, Che-Ming; Chen, Guang-Yin; Nori, Franco

2012-01-01T23:59:59.000Z

337

Functional quantum biology in photosynthesis and magnetoreception  

E-Print Network (OSTI)

Is there a functional role for quantum mechanics or coherent quantum effects in biological processes? While this question is as old as quantum theory, only recently have measurements on biological systems on ultra-fast time-scales shed light on a possible answer. In this review we give an overview of the two main candidates for biological systems which may harness such functional quantum effects: photosynthesis and magnetoreception. We discuss some of the latest evidence both for and against room temperature quantum coherence, and consider whether there is truly a functional role for coherence in these biological mechanisms. Finally, we give a brief overview of some more speculative examples of functional quantum biology including the sense of smell, long-range quantum tunneling in proteins, biological photoreceptors, and the flow of ions across a cell membrane.

Neill Lambert; Yueh-Nan Chen; Yuan-Chung Cheng; Che-Ming Li; Guang-Yin Chen; Franco Nori

2012-05-04T23:59:59.000Z

338

Quantum Conductance Project/Graphene-Based Quantum ...  

Science Conference Proceedings (OSTI)

Quantum Conductance Project/Graphene-Based Quantum Metrology. Summary: ... Graphene Hall bar developed at NIST by undergraduate students. ...

2011-10-03T23:59:59.000Z

339

Gaussian quantum information  

E-Print Network (OSTI)

The science of quantum information has arisen over the last two decades centered on the manipulation of individual quanta of information, known as quantum bits or qubits. Quantum computers, quantum cryptography, and quantum ...

Weedbrook, Christian

340

An Overview of Quantum Computing for Technology Managers  

E-Print Network (OSTI)

Faster algorithms, novel cryptographic mechanisms, and alternative methods of communication become possible when the model underlying information and computation changes from a classical mechanical model to a quantum mechanical one. Quantum algorithms perform a select set of tasks vastly more efficiently than any classical algorithm, but for many tasks it has been proved that quantum algorithms provide no advantage. The breadth of quantum computing applications is still being explored. Major application areas include security and the many fields that would benefit from efficient quantum simulation. The quantum information processing viewpoint provides insight into classical algorithmic issues as well as a deeper understanding of entanglement and other non-classical aspects of quantum physics. This overview is aimed at technology managers who wish to gain a high level understanding of quantum information processing, particularly quantum computing.

Eleanor G. Rieffel

2008-04-14T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

Quantum and Classical Variance in the Quantum Realm  

E-Print Network (OSTI)

This paper examines the variance of quantum and classical predictions in the quantum realm, as well as unexpected presence and absence of variances. Some features are found that share an indirect commonality with the Aharonov-Bohm and Aharonov-Casher effects in that there is a quantum action in the absence of a force. Variances are also found in the presence of a force that are more subtle as they are of higher order. Significant variances related to the harmonic oscillator and particle in a box periods are found. This paper raises the question whether apparent quantum self-inconsistency may be examined internally, or must be empirically ascertained. These inherent variances may either point to inconsistencies in quantum mechanics that should be fixed, or that nature is manifestly more non-classical than expected. For the harmonic oscillator it is proven that the second spatial moment is the same in QM and CM.

Mario Rabinowitz

2007-07-08T23:59:59.000Z

342

Graph-based simulation of quantum computation in the density matrix representation  

Science Conference Proceedings (OSTI)

Quantum-mechanical phenomena are playing an increasing role in information processing, as transistor sizes approach the nanometer level, and quantum circuits and data encoding methods appear in the securest forms of communication. Simulating such phenomena ... Keywords: QuIDDs, decision diagrams, density matrices, graph data structures, quantum algorithms, quantum circuits, quantum errors, simulation

George F. Viamontes; Igor L. Markov; John P. Hayes

2005-03-01T23:59:59.000Z

343

The Quantum Mellin transform  

E-Print Network (OSTI)

We uncover a new type of unitary operation for quantum mechanics on the half-line which yields a transformation to ``Hyperbolic phase space''. We show that this new unitary change of basis from the position x on the half line to the Hyperbolic momentum $p_\\eta$, transforms the wavefunction via a Mellin transform on to the critial line $s=1/2-ip_\\eta$. We utilise this new transform to find quantum wavefunctions whose Hyperbolic momentum representation approximate a class of higher transcendental functions, and in particular, approximate the Riemann Zeta function. We finally give possible physical realisations to perform an indirect measurement of the Hyperbolic momentum of a quantum system on the half-line.

J. Twamley; G. J. Milburn

2007-02-12T23:59:59.000Z

344

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

SciTech Connect

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.

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

2010-12-15T23:59:59.000Z

345

Parallel Adaptive Quantum Trajectory Method for Wavepacket Simulations  

Science Conference Proceedings (OSTI)

Time-dependent wavepackets are widely used to model various phenomena in physics. One approach in simulating the wavepacket dynamics is the quantum trajectory method (QTM). Based on the hydrodynamic formulation of quantum mechanics, the QTM represents ...

Ricolindo L. Cariño; Ioana Banicescu; Ravi K. Vadapalli; Charles A. Weatherford; Jianping Zhu

2003-04-01T23:59:59.000Z

346

Distilling relevant documents by means of dynamic quantum clustering  

Science Conference Proceedings (OSTI)

Dynamic Quantum Clustering (DQC) is a recent clustering technique based on physical intuition from quantum mechanics. Clusters are identified as the minima of the potential function of the Schrödinger equation. In this poster, we apply this technique ...

Emanuele Di Buccio; Giorgio Maria Di Nunzio

2011-09-01T23:59:59.000Z

347

Ultrafast sources of entangled photons for quantum information processing  

E-Print Network (OSTI)

Recent advances in quantum information processing (QIP) have enabled practical applications of quantum mechanics in various fields such as cryptography, computation, and metrology. Most of these applications use photons ...

Kuzucu, Oktay Onur, 1980-

2008-01-01T23:59:59.000Z

348

Quantum Criticality and Black Holes  

SciTech Connect

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

Sachdev, Subir (Harvard)

2007-08-22T23:59:59.000Z

349

Using Quantum Computers to Learn Physics  

E-Print Network (OSTI)

Since its inception at the beginning of the twentieth century, quantum mechanics has challenged our conceptions of how the universe ought to work; however, the equations of quantum mechanics can be too computationally difficult to solve using existing computers for even modestly large systems. Here I will show that quantum computers can sometimes be used to address such problems and that quantum computer science can assign formal complexities to learning facts about nature. Hence, computer science should not only be regarded as an applied science; it is also of central importance to the foundations of science.

Nathan Wiebe

2014-01-18T23:59:59.000Z

350

Quantum Computational Complexity  

E-Print Network (OSTI)

This article surveys quantum computational complexity, with a focus on three fundamental notions: polynomial-time quantum computations, the efficient verification of quantum proofs, and quantum interactive proof systems. Properties of quantum complexity classes based on these notions, such as BQP, QMA, and QIP, are presented. Other topics in quantum complexity, including quantum advice, space-bounded quantum computation, and bounded-depth quantum circuits, are also discussed.

John Watrous

2008-04-21T23:59:59.000Z

351

CALPHAD and DFT Assessment of Metallic Alloy Fuel Materials  

Science Conference Proceedings (OSTI)

A random occupation of atomic sites makes these phases non-stoichiometric in nature. ... Aerosol Route Synthesis of Lithium Borate Spheres Using Lithium Nitrate and ... Investigation of Inclusion Evolution Mechanism during the Refining and ... Raman Spectroscopic Study of Ammonia Borane: Phase Transitions at Low ...

352

Repeated interactions in open quantum systems  

E-Print Network (OSTI)

Analyzing the dynamics of open quantum systems has a long history in mathematics and physics. Depending on the system at hand, basic physical phenomena that one would like to explain are, for example, convergence to equilibrium, the dynamics of quantum coherences (decoherence) and quantum correlations (entanglement), or the emergence of heat and particle fluxes in non-equilibrium situations. From the mathematical physics perspective, one of the main challenges is to derive the irreversible dynamics of the open system, starting from a unitary dynamics of the system and its environment. The repeated interactions systems considered in these notes are models of non-equilibrium quantum statistical mechanics. They are relevant in quantum optics, and more generally, serve as a relatively well treatable approximation of a more difficult quantum dynamics. In particular, the repeated interaction models allow to determine the large time (stationary) asymptotics of quantum systems out of equilibrium.

Laurent Bruneau; Alain Joye; Marco Merkli

2013-05-11T23:59:59.000Z

353

Spinless Quantum Field Theory and Interpretation  

E-Print Network (OSTI)

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

Dong-Sheng Wang

2013-03-07T23:59:59.000Z

354

Nuclear quantum effects in the structure and lineshapes of the N2 NEXAFS spectrum  

SciTech Connect

We study the relative ability of several models of the X-ray absorption spectrum to capture the Franck-Condon structure apparent from an experiment on gaseous nitrogen. In doing so, we adopt the Born-Oppenheimer approximation and a constrained density functional theory method for computing the energies of the X-ray-excited molecule. Starting from an otherwise classical model for the spectrum, we systematically introduce more realistic physics, first by substituting the quantum mechanical nuclear radial density in the bond separation R for the classical radial density, then by adding the effect of zero-point energy and other level shifts, and finally by including explicit rovibrational quantization of both the ground and excited states. The quantization is determined exactly, using a discrete variable representation. We show that the NEXAFS spectrum can be predicted semiquantiatively within this framework. We also address the possibility of non-trivial temperature dependence in the spectrum. Finally, we show that it is possible to improve the predicted spectrum by using constrained DFT in combination with more accurate potentials.

Fatehi, Shervin; Schwartz, Craig P.; Saykally, Richard J.; Prendergast, David

2009-12-04T23:59:59.000Z

355

A toy model for Macroscopic Quantum Coherence  

E-Print Network (OSTI)

The present article deals with Macroscopic Quantum Coherence resorting only to basic quantum mechanics. A square double well is used to illustrate the Leggett-Caldeira oscillations. The effect of thermal-radiation on two-level systems is discussed to some extent. The concept of decoherence is introduced at an elementary level. Handles are deduced for the energy, temperature and time scales involved in Macroscopic Quantum Coherence.

R. Muñoz-Vega; José-Job J. Flores-Godoy; G. Fernández-Anaya; Encarnación Salinas-Hernández

2012-10-29T23:59:59.000Z

356

Energy Inequalities in Quantum Field Theory  

E-Print Network (OSTI)

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

Christopher J. Fewster

2005-01-31T23:59:59.000Z

357

High-fidelity quantum memory using nitrogen-vacancy center ensemble for hybrid quantum computation  

E-Print Network (OSTI)

We study a hybrid quantum computing system using nitrogen-vacancy center ensemble (NVE) as quantum memory, current-biased Josephson junction (CBJJ) superconducting qubit fabricated in a transmission line resonator (TLR) as quantum computing processor and the microwave photons in TLR as quantum data bus. The storage process is seriously treated by considering all kinds of decoherence mechanisms. Such a hybrid quantum device can also be used to create multi-qubit W states of NVEs through a common CBJJ. The experimental feasibility and challenge are justified using currently available technology.

W. L. Yang; Zhang-qi Yin; Y. Hu; M. Feng; J. F. Du

2011-06-15T23:59:59.000Z

358

Nonexistence of a universal quantum machine to examine the precision of unknown quantum states  

Science Conference Proceedings (OSTI)

In this work, we reveal a type of impossibility discovered in our recent research which forbids comparing the closeness of multiple unknown quantum states with any nontrivial threshold in a perfect or unambiguous way. This impossibility is distinct from the existing impossibilities in that it is a ''collective'' impossibility on multiple quantum states; most other ''no-go'' theorems are concerned with only one single state each time, i.e., it is an impossibility on a nonlocal quantum operation. This impossibility may provide new insight into the nature of quantum mechanics, and it implies more limitations on quantum information tasks than the existing no-go theorems.

Pang, Shengshi; Wu, Shengjun; Chen, Zeng-Bing [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

2011-12-15T23:59:59.000Z

359

Dark Energy from Quantum Uncertainty of Simultaneity  

E-Print Network (OSTI)

The observed acceleration expansion of the universe was thought attribute to a mysterious dark energy in the framework of the classical general relativity. The dark energy behaves very similar with a vacuum energy in quantum mechanics. However, once the quantum effects are seriously taken into account, it predicts a wrong order of the vacuum energy and leads to a severe fine-tuning, known as the cosmological constant problem. We abandon the standard interpretation that time is a global parameter in quantum mechanics, replace it by a quantum dynamical variable playing the role of an operational quantum clock system. In the framework of reinterpretation of time, we find that the synchronization of two quantum clocks distance apart can not be realized in all rigor at quantum level. Thus leading to an intrinsic quantum uncertainty of simultaneity between spatial interval, which implies a visional vacuum energy fluctuation and gives an observed dark energy density $\\rho_{de}=\\frac{6}{\\pi}L_{P}^{-2}L_{H}^{-2}$, where $L_{P}$ and $L_{H}$ are the Planck and Hubble scale cut-off. The expectation value of zero-point energy automatically vanishes under the quantum dynamical time variable. The fraction of the dark energy is precisely given by $\\Omega_{de}=\\frac{2}{\\pi}$, which does not evolve with the quantum dynamical time variable, so it is "always" comparable to the matter energy density or the critical density. This theory is consistent with current cosmic observations.

M. J. Luo

2014-01-11T23:59:59.000Z

360

Quantum discord in open quantum systems  

E-Print Network (OSTI)

Open quantum systems have attracted great attentions for the inevitable interaction between quantum systems and their environment would largely affect the features of interest in the systems. Quantum discord, as a measure of the total nonclassical correlation in a quantum system, includes but not only the distinct property of quantum entanglement. Quantum discord can exist in separated quantum states and it has been shown to play important roles in many fundamental physical problems and practical quantum information tasks. There have been plentiful investigations on the quantum discord and its counterpart classical correlation in open quantum systems. In this short review, we would focus on the recent development and applications of distinctive properties of quantum discord and classical correlation in open quantum systems. Several related experimental works are included.

Xu, Jin-Shi

2012-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


361

Quantum Coulomb Gases  

E-Print Network (OSTI)

Lectures on Quantum Coulomb gases delivered at the CIME summer school on Quantum Many Body Systems 2010

Jan Philip Solovej

2010-12-23T23:59:59.000Z

362

Quantum Interference in Plasmonic Circuits  

E-Print Network (OSTI)

Surface plasmon polaritons (plasmons) are a combination of light and a collective oscillation of the free electron plasma at metal-dielectric interfaces. This interaction allows sub-wavelength confinement of light, beyond the diffraction limit inherent to dielectric structures. The resulting electromagnetic fields are more intense and the strength of optical interactions between metallic structures and light-sources or detectors can be increased. Plasmons maintain non-classical photon statistics and preserve entanglement on plasmon-assisted transmission through thin, patterned metallic films or weakly confining waveguides. For quantum applications it is essential that plasmons behave as indistinguishable quantum particles. Here we report on a quantum interference experiment in a nanoscale plasmonic circuit consisting of an on-chip plasmon beam splitter with integrated superconducting single-photon detectors to allow efficient single plasmon detection. We demonstrate quantum mechanical interaction between pair...

Heeres, Reinier W; Zwiller, Valery

2013-01-01T23:59:59.000Z

363

Reversible computation as a model for the quantum measurement process  

E-Print Network (OSTI)

One-to-one reversible automata are introduced. Their applicability to a modelling of the quantum mechanical measurement process is discussed.

Karl Svozil

2009-04-15T23:59:59.000Z

364

QWalk: A quantum Monte Carlo program for electronic structure  

Science Conference Proceedings (OSTI)

We describe QWalk, a new computational package capable of performing quantum Monte Carlo electronic structure calculations for molecules and solids with many electrons. We describe the structure of the program and its implementation of quantum Monte ... Keywords: Monte Carlo, Quantum mechanics, Stochastic methods

Lucas K. Wagner; Michal Bajdich; Lubos Mitas

2009-05-01T23:59:59.000Z

365

Understanding Bohmian mechanics: A dialogue  

E-Print Network (OSTI)

This paper is an introduction to the ideas of Bohmian mechanics, an interpretation of quantum mechanics in which the observer plays no fundamental role. Bohmian mechanics describes, instead of probabilities of measurement results, objective microscopic events. In recent years, Bohmian mechanics has attracted increasing attention by researchers. The form of a dialogue allows me to address questions about the Bohmian view that often arise.

Roderich Tumulka

2004-08-18T23:59:59.000Z

366

Bohmian Mechanics Detlef Durr1  

E-Print Network (OSTI)

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

Goldstein, Sheldon

367

Quantum control limited by quantum decoherence  

E-Print Network (OSTI)

We describe quantum controllability under the influences of the quantum decoherence induced by the quantum control itself. It is shown that, when the controller is considered as a quantum system, it will entangle with its controlled system and then cause quantum decoherence in the controlled system. In competition with this induced decoherence, the controllability will be limited by some uncertainty relation in a well-armed quantum control process. In association with the phase uncertainty and the standard quantum limit, a general model is studied to demonstrate the possibility of realizing a decoherence-free quantum control with a finite energy within a finite time. It is also shown that if the operations of quantum control are to be determined by the initial state of the controller, then due to the decoherence which results from the quantum control itself, there exists a low bound for quantum controllability.

Fei Xue; S. X. Yu; C. P. Sun

2005-07-22T23:59:59.000Z

368

Comprehending Quantum Theory from Quantum Fields  

E-Print Network (OSTI)

At the primary level of reality as described by quantum field theory, a fundamental particle like an electron represents a stable, discrete, propagating excited state of its underlying quantum field. QFT also tells us that the lowest vacuum state as well as the excited states of such a field is always very active with spontaneous, unpredictable quantum fluctuations. Also an underlying quantum field is known to be indestructible and immutable possessing the same value in each element of spacetime comprising the universe. These characteristics of the primary quantum fields together with the fact that the quantum fluctuations can be cogently substantiated to be quantum coherent throughout the universe provide a possible ontology of the quantum theory. In this picture, the wave function of a quantum particle represents the reality of the inherent quantum fluctuations at the core of the universe and endows the particle its counter intuitive quantum behavior.

Mani Bhaumik

2013-10-04T23:59:59.000Z

369

Quantum network coding for quantum repeaters  

E-Print Network (OSTI)

This paper considers quantum network coding, which is a recent technique that enables quantum information to be sent on complex networks at higher rates than by using straightforward routing strategies. Kobayashi et al. have recently showed the potential of this technique by demonstrating how any classical network coding protocol gives rise to a quantum network coding protocol. They nevertheless primarily focused on an abstract model, in which quantum resource such as quantum registers can be freely introduced at each node. In this work, we present a protocol for quantum network coding under weaker (and more practical) assumptions: our new protocol works even for quantum networks where adjacent nodes initially share one EPR-pair but cannot add any quantum registers or send any quantum information. A typically example of networks satisfying this assumption is {\\emph{quantum repeater networks}}, which are promising candidates for the implementation of large scale quantum networks. Our results thus show, for the...

Satoh, Takahiko; Imai, Hiroshi

2012-01-01T23:59:59.000Z

370

Mecanica Clasica (Classical Mechanics)  

E-Print Network (OSTI)

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

Rosu, H C

1999-01-01T23:59:59.000Z

371

Quantum Money from Hidden Subspaces  

E-Print Network (OSTI)

Forty years ago, Wiesner pointed out that quantum mechanics raises the striking possibility of money that cannot be counterfeited according to the laws of physics. We propose the first quantum money scheme that is (1) public-key, meaning that anyone can verify a banknote as genuine, not only the bank that printed it, and (2) cryptographically secure, under a "classical" hardness assumption that has nothing to do with quantum money. Our scheme is based on hidden subspaces, encoded as the zero-sets of random multivariate polynomials. A main technical advance is to show that the "black-box" version of our scheme, where the polynomials are replaced by classical oracles, is unconditionally secure. Previously, such a result had only been known relative to a quantum oracle (and even there, the proof was never published). Even in Wiesner's original setting -- quantum money that can only be verified by the bank -- we are able to use our techniques to patch a major security hole in Wiesner's scheme. We give the first private-key quantum money scheme that allows unlimited verifications and that remains unconditionally secure, even if the counterfeiter can interact adaptively with the bank. Our money scheme is simpler than previous public-key quantum money schemes, including a knot-based scheme of Farhi et al. The verifier needs to perform only two tests, one in the standard basis and one in the Hadamard basis -- matching the original intuition for quantum money, based on the existence of complementary observables. Our security proofs use a new variant of Ambainis's quantum adversary method, and several other tools that might be of independent interest.

Scott Aaronson; Paul Christiano

2012-03-21T23:59:59.000Z

372

NIST Quantum Physics Division - 1998  

Science Conference Proceedings (OSTI)

... QUANTUM PHYSICS DIVISION. Fluorescence Trajectory of a Single 30 Angstrom Radius CdSe Quantum Dot. The quantum ...

373

NMR quantum simulation of localization effects induced by decoherence  

E-Print Network (OSTI)

The loss of coherence in quantum mechanical superposition states limits the time for which quantum information remains useful. Similarly, it limits the distance over which quantum information can be transmitted, resembling Anderson localization, where disorder causes quantum mechanical states to become localized. Here, we investigate in a nuclear spin-based quantum simulator, the localization of the size of spin clusters that are generated by a Hamiltonian driving the transmission of information, while a variable-strength perturbation counteracts the spreading. We find that the system reaches a dynamic equilibrium size, which decreases with the square of the perturbation strength.

Gonzalo A. Alvarez; Dieter Suter

2010-04-28T23:59:59.000Z

374

Multiple-user quantum optical communication  

E-Print Network (OSTI)

A fundamental understanding of the information carrying capacity of optical channels requires the signal and physical channel to be modeled quantum mechanically. This thesis considers the problems of distributing multi-party ...

Yen, Brent J., 1977-

2005-01-01T23:59:59.000Z

375

Classical and quantum randomness and the financial market  

E-Print Network (OSTI)

We analyze complexity of financial (and general economic) processes by comparing classical and quantum-like models for randomness. Our analysis implies that it might be that a quantum-like probabilistic description is more natural for financial market than the classical one. A part of our analysis is devoted to study the possibility of application of the quantum probabilistic model to agents of financial market. We show that, although the direct quantum (physical) reduction (based on using the scales of quantum mechanics) is meaningless, one may apply so called quantum-like models. In our approach quantum-like probabilistic behaviour is a consequence of contextualy of statistical data in finances (and economics in general). However, our hypothesis on "quantumness" of financial data should be tested experimentally (as opposed to the conventional description based on the noncontextual classical probabilistic approach). We present a new statistical test based on a generalization of the well known in quantum physics Bell's inequality.

Andrei Khrennikov

2007-04-22T23:59:59.000Z

376

Quantum computing  

E-Print Network (OSTI)

This article gives an elementary introduction to quantum computing. It is a draft for a book chapter of the "Handbook of Nature-Inspired and Innovative Computing", Eds. A. Zomaya, G.J. Milburn, J. Dongarra, D. Bader, R. Brent, M. Eshaghian-Wilner, F. Seredynski (Springer, Berlin Heidelberg New York, 2006).

J. Eisert; M. M. Wolf

2004-01-05T23:59:59.000Z

377

Quantum Geometry and Quantum Gravity  

E-Print Network (OSTI)

The purpose of this contribution is to give an introduction to quantum geometry and loop quantum gravity for a wide audience of both physicists and mathematicians. From a physical point of view the emphasis will be on conceptual issues concerning the relationship of the formalism with other more traditional approaches inspired in the treatment of the fundamental interactions in the standard model. Mathematically I will pay special attention to functional analytic issues, the construction of the relevant Hilbert spaces and the definition and properties of geometric operators: areas and volumes.

J. Fernando Barbero G.

2008-04-23T23:59:59.000Z

378

QUANTUM STOCHASTIC CALCULUS AND QUANTUM NONLINEAR FILTERING  

E-Print Network (OSTI)

QUANTUM STOCHASTIC CALCULUS AND QUANTUM NONLINEAR FILTERING V. P. BELAVKIN Abstract. A ?­algebraic inde...nite structure of quantum stochastic (QS) cal- culus is introduced and a continuity property...nitely dimensional nuclear space. The class of nondemolition output QS processes in quantum open systems

Belavkin, Viacheslav P.

379

QKarD Quantum Smart Card  

NLE Websites -- All DOE Office Websites (Extended Search)

QKarD Quantum Smart Card QKarD Quantum Smart Card QKarD Quantum Smart Card Los Alamos National Laboratory (LANL) scientists have developed a revolutionary technology entitled "QKarD" that implements the quantum mechanical laws of physics rather than complex mathematical problems to encrypt information. July 11, 2013 QKarD Quantum Smart Card Available for thumbnail of Feynman Center (505) 665-9090 Email QKarD Quantum Smart Card Applications: Telecommunications: cell /smartphone; multi-party secure phone calls; videoconferencing; Voice over IP (VoIP) Banking and financial transactions:ATM, debit / credit card and e-Commerce e-Business; e-gaming; e-books; e-music; e-movies; e-gambling Wireless internet Electronic voting Facility and vehicle access Information exchange for government/defense

380

Complementarity and Entanglement in Quantum Information Theory  

E-Print Network (OSTI)

The restrictions that nature places on the distribution of correlations in a multipartite quantum system play fundamental roles in the evolution of such systems, and yield vital insights into the design of protocols for the quantum control of ensembles with potential applications in the field of quantum computing. We show how this entanglement sharing behavior may be studied in increasingly complex systems of both theoretical and experimental significance and demonstrate that entanglement sharing, as well as other unique features of entanglement, e.g. the fact that maximal information about a multipartite quantum system does not necessarily entail maximal information about its component subsystems, may be understood as specific consequences of the phenomenon of complementarity extended to composite quantum systems. We also present a local hidden-variable model supplemented by an efficient amount of classical communication that reproduces the quantum-mechanical predictions for the entire class of Gottesman-Kni...

Tessier, T E

2004-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


381

Programmable quantum simulation by dynamic Hamiltonian engineering  

E-Print Network (OSTI)

Quantum simulation is a promising near term application for mesoscale quantum information processors, with the potential to solve computationally intractable problems at the scale of just a few dozen interacting quantum systems. Recent experiments in a range of technical platforms have demonstrated the basic functionality of quantum simulation applied to quantum magnetism, quantum phase transitions, and relativistic quantum mechanics. In all cases, the underlying hardware platforms restrict the achievable inter-particle interaction, forming a serious constraint on the ability to realize a versatile, programmable, quantum simulator. In this work, we address this problem by developing novel sequences of unitary operations that engineer desired effective Hamiltonians in the time-domain. The result is a hybrid programmable analog simulator permitting a broad class of interacting spin-lattice models to be generated starting only with an arbitrary native inter-particle interaction and single-qubit addressing. Building on previous work proving that universal simulation is possible using both entangling gates and single-qubit unitaries, we show how determining the relevant hardware "program" of unitary pulses to implement an arbitrary spin Hamiltonian on such a simulator can be formulated as a linear program that runs in polynomial time and scales efficiently in hardware resources. Our analysis extends from circuit model quantum information to adiabatic quantum evolutions, where our approach allows for the creation of non-native ground state solutions to a computation.

David L. Hayes; Steven T. Flammia; Michael J. Biercuk

2013-09-26T23:59:59.000Z

382

Control of non-controllable quantum systems: A quantum control algorithm based on Grover iteration  

E-Print Network (OSTI)

A new notion of controllability, eigenstate controllability, is defined for finite-dimensional bilinear quantum mechanical systems which are neither strongly completely controllably nor completely controllable. And a quantum control algorithm based on Grover iteration is designed to perform a quantum control task of steering a system, which is eigenstate controllable but may not be (strongly) completely controllable, from an arbitrary state to a target state.

Chen-Bin Zhang; Dao-Yi Dong; Zong-Hai Chen

2005-03-02T23:59:59.000Z

383

Superfluid {sup 4}He Quantum Interference Grating  

Science Conference Proceedings (OSTI)

We report the first observation of quantum interference from a grating structure consisting of four weak link junctions in superfluid {sup 4}He. We find that an interference grating can be implemented successfully in a superfluid matter wave interferometer to enhance its sensitivity while trading away some of its dynamic range. We also show that this type of device can be used to measure absolute quantum mechanical phase differences. The results demonstrate the robust nature of superfluid phase coherence arising from quantum mechanics on a macroscopic scale.

Sato, Yuki; Joshi, Aditya; Packard, Richard [Physics Department, University of California, Berkeley, California 94720 (United States)

2008-08-22T23:59:59.000Z

384

Finite groups and quantum physics  

Science Conference Proceedings (OSTI)

Concepts of quantum theory are considered from the constructive 'finite' point of view. The introduction of a continuum or other actual infinities in physics destroys constructiveness without any need for them in describing empirical observations. It is shown that quantum behavior is a natural consequence of symmetries of dynamical systems. The underlying reason is that it is impossible in principle to trace the identity of indistinguishable objects in their evolution-only information about invariant statements and values concerning such objects is available. General mathematical arguments indicate that any quantum dynamics is reducible to a sequence of permutations. Quantum phenomena, such as interference, arise in invariant subspaces of permutation representations of the symmetry group of a dynamical system. Observable quantities can be expressed in terms of permutation invariants. It is shown that nonconstructive number systems, such as complex numbers, are not needed for describing quantum phenomena. It is sufficient to employ cyclotomic numbers-a minimal extension of natural numbers that is appropriate for quantum mechanics. The use of finite groups in physics, which underlies the present approach, has an additional motivation. Numerous experiments and observations in the particle physics suggest the importance of finite groups of relatively small orders in some fundamental processes. The origin of these groups is unclear within the currently accepted theories-in particular, within the Standard Model.

Kornyak, V. V., E-mail: kornyak@jinr.ru [Joint Institute for Nuclear Physics, Laboratory of Information Tecnnologies (Russian Federation)

2013-02-15T23:59:59.000Z

385

Multi-Determinant Wave-functions in Quantum Monte Carlo  

Science Conference Proceedings (OSTI)

Quantum Monte Carlo methods have received considerable attention over the last decades due to the great promise they have for the direct solution to the many-body Schrodinger equation for electronic systems. Thanks to a low scaling with number of particles, they present one of the best alternatives in the accurate study of large systems and solid state calculations. In spite of such promise, the method has not become popular in the quantum chemistry community, mainly due to the lack of control over the fixed-node error which can be large in many cases. In this article we present the application of large multi-determinant expansions in quantum Monte Carlo, studying its performance with first row dimers and the 55 molecules of the G1 test set. We demonstrate the potential of the wave-function to systematically reduce the fixed-node error in the calculations, achieving chemical accuracy in almost all cases studied. When compared to traditional methods in quantum chemistry, the results show a marked improvement over most methods including MP2, CCSD(T) and DFT with various functionals; in fact the only method able to produce better results is the explicitly-correlated CCSD(T) method with a large basis set. With recent developments in trial wave functions and algorithmic improvements in Quantum Monte Carlo, we are quickly approaching a time where the method can become the standard in the study of large molecular systems and solids.

Morales, Miguel A [Lawrence Livermore National Laboratory (LLNL); Mcminis, Jeremy [University of Illinois, Urbana-Champaign; Clark, Bryan K. [Princeton University; Kim, Jeongnim [ORNL; Scuseria, Gustavo E [Rice University

2012-01-01T23:59:59.000Z

386

Near quantitative agreement of model free DFT- MD predictions with XAFS observations of the hydration structure of highly charged transition metal ions  

Science Conference Proceedings (OSTI)

DFT-MD simulations (PBE96 and PBE0) with MD-XAFS scattering calculations (FEFF9) show near quantitative agreement with new and existing XAFS measurements for a comprehensive series of transition metal ions which interact with their hydration shells via complex mechanisms (high spin, covalency, charge transfer, etc.). This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is operated for the U.S. DOE by Battelle. A portion of the research was performed using EMSL, a national scientific user facility sponsored by the U.S. DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

Fulton, John L.; Bylaska, Eric J.; Bogatko, Stuart A.; Balasubramanian, Mahalingam; Cauet, Emilie L.; Schenter, Gregory K.; Weare, John H.

2012-09-20T23:59:59.000Z

387

Quantum Nanomechanics Pritiraj Mohanty  

E-Print Network (OSTI)

Quantum Nanomechanics Pritiraj Mohanty Abstract Quantum Nanomechanics is the emerging field which pertains to the me- chanical behavior of nanoscale systems in the quantum domain. Unlike the conven- tional studies of vibration of molecules and phonons in solids, quantum nanome- chanics is defined as the quantum

388

Model Theory and Quantum  

E-Print Network (OSTI)

Model Theory and Quantum Groups Sonia L'Innocente Model Theory and Quantum Groups Sonia L'Innocente (University of Mons) Model Theory and Quantum Groups 1 / 40 #12;Model Theory and Quantum Groups Sonia L quantum plane, submitted. This work is inspired by Ivo Herzog's paper: The pseudo-finite dimensional

Mons-Hainaut, Université de

389

Entanglement Exchange and Bohmian Mechanics  

E-Print Network (OSTI)

This paper analyses the phenomenon of entanglement exchange in Bohm's pilot wave interpretation of quantum mechanics. The interesting feature of the phenomenon is that systems become entangled without causal interaction; hence it is a useful situation for investigating the unique nature of interaction in Bohmian mechanics. The first two sections introduce, respectively, entanglement exchange in the standard interpretation of quantum mechanics, and the basic principles of Bohmian mechanics. The next section shows that the Bohmian interpretation makes the same experimental predictions about entanglement exchange as the standard one. The final section draws some conclusions about interactions and entanglement in Bohmian mechanics.

Nick Huggett; Tiziana Vistarini

2009-05-25T23:59:59.000Z

390

Strongly Correlated Quantum Fluids: Ultracold Quantum Gases, Quantum Chromodynamic Plasmas, and Holographic Duality  

E-Print Network (OSTI)

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 quasi-particles. Two systems that have recently attracted a great deal of interest are the quark-gluon plasma, a plasma of strongly interacting quarks and gluons produced in relativistic heavy ion collisions, and ultracold atomic Fermi gases, very dilute clouds of atomic gases confined in optical or magnetic traps. These systems differ by more than 20 orders of magnitude in temperature, but they were shown to exhibit very similar hydrodynamic flow. In particular, both fluids exhibit a robustly low shear viscosity to entropy density ratio which is characteristic of quantum fluids described by holographic duality, a mapping from strongly correlated quantum field theories to weakly curved higher dimensional classical gravity. This review explores the connection between these fields, and it also serves as an introduction to the Focus Issue of New Journal of Physics on Strongly Correlated Quantum Fluids: from Ultracold Quantum Gases to QCD Plasmas. The presentation is made accessible to the general physics reader and includes discussions of the latest research developments in all three areas.

Allan Adams; Lincoln D. Carr; Thomas Schaefer; Peter Steinberg; John E. Thomas

2012-05-23T23:59:59.000Z

391

Macroscopic quantum tunnelling in a current biased Josephson junction  

SciTech Connect

We discuss in this work an attempt to answer experimentally the question: do macroscopic variables obey quantum mechanics. More precisely, this experiment deals with the question of quantum-mechanical tunnelling of a macroscopic variable, a subject related to the famous Schrodinger's cat problem in the theory of measurement.

Martinis, J.M.; Devoret, M.H.; Clarke, J.; Urbina, C.

1984-11-01T23:59:59.000Z

392

Dark Energy from Quantum Uncertainty of Simultaneity  

E-Print Network (OSTI)

The observed acceleration expansion of the universe was thought attribute to a mysterious dark energy in the framework of the classical general relativity. The dark energy behaves very similar with a vacuum energy in quantum mechanics. However, once the quantum effects are seriously taken into account, it predicts a wrong order of the vacuum energy and leads to a severe fine-tuning, known as the cosmological constant problem. We abandon the standard interpretation that time is a global parameter in quantum mechanics, replace it by a quantum dynamical variable playing the role of an operational quantum clock system. In the framework of reinterpretation of time, we find that the synchronization of two quantum clocks distance apart can not be realized in all rigor at quantum level. Thus leading to an intrinsic quantum uncertainty of simultaneity between spatial interval, which implies a visional vacuum energy fluctuation and gives an observed dark energy density $\\rho_{de}=\\frac{6}{\\pi}L_{P}^{-2}L_{H}^{-2}$, whe...

Luo, M J

2014-01-01T23:59:59.000Z

393

Quantum limit in continuous quantum measurement  

E-Print Network (OSTI)

The quantum noise is calculated based on the description of imprecise measurement theory, which is used to analyse the general detector's quantum limit in continuous quantum measurement. Different from the traditional description of the linear-response theory, we don't introduce the hypotheses on the properties of the susceptibilities of the detector, and first show a rigorous result: The minimum noise added by the detector in quantum measurement is precisely equal to the zero-point noise. We also discuss the statistic characters of the back-action force in quantum measurement and show how to reach the quantum limit.

Shao, ChengGang

2012-01-01T23:59:59.000Z

394

From quantum cheating to quantum security  

E-Print Network (OSTI)

For thousands of years, code-makers and code-breakers have been competing for supremacy. Their arsenals may soon include a powerful new weapon: quantum mechanics. Cryptography — the art of code-making — has a long history of military and diplomatic applications, dating back to the Babylonians. In World World Two, the Allies ’ feat of breaking the legendary German code, Enigma, contributed greatly to the final Allied victory. Nowadays, cryptography is becoming increasingly important in commercial applications for electronic business and electronic commerce. Sensitive data such as credit card numbers and personal identification numbers (PINs) are routinely transmitted in encrypted form. Quantum mechanics is a new tool for both code-breakers and code-makers in their eternal arms race. It has the potential to revolutionize cryptography both by creating perfectly secure codes and by breaking standard encryption schemes. The most well-known application of cryptography is secure communication [1]. Suppose Alice would like to send a message to Bob, but there is an eavesdropper, Eve, who is wiretapping the channel. To prevent Eve from knowing the message, Alice and Bob may perform encryption, i.e., transform the message to something that is not intelligible to Eve during the communication. On receiving the message, Bob inverts the transformation and recovers the message (see figure 1). Bob’s advantage over Eve lies in his knowledge of a secret, commonly called the key, that he shares with Alice. The key tells him how to decode the message. For example: The rumble of Soviet tanks shook the Prague hotel room (number 117) as secret agent John Blond finished decoding his orders from his superior N. He tore the used page from the codebook and immediately burned it with his lighter. Blond is using a perfectly unbreakable cipher, a “one-time pad. ” The secret codebook allows N and Blond to share a long secret binary string — the key —

Daniel Gottesman; Hoi-kwong Lo

2000-01-01T23:59:59.000Z

395

Probabilistic bisimulations for quantum processes  

Science Conference Proceedings (OSTI)

Modeling and reasoning about concurrent quantum systems is very important for both distributed quantum computing and quantum protocol verification. As a consequence, a general framework formally describing communication and concurrency in complex quantum ... Keywords: Congruence, Probabilistic bisimulation, Quantum process

Yuan Feng; Runyao Duan; Zhengfeng Ji; Mingsheng Ying

2007-11-01T23:59:59.000Z

396

Quantum Espresso Quick Start Introduction  

E-Print Network (OSTI)

Quantum Espresso Quick Start Introduction Quantum Espresso (http://www.quantum properties eg., phonon dispersion, NMR shifts and band structure to name a few. Quantum Espresso is available. Matter 21, 395502 (2009). Online Guide for QE : http://www.quantum

Bjørnstad, Ottar Nordal

397

Vacancy Mechanism Davydov I.А.  

National Nuclear Security Administration (NNSA)

9: Computational Physics-MD 9: Computational Physics-MD DFT and MD Simulation of Self-Diffusion in Silicon: Study of Diffusion Vacancy Mechanism Davydov I.А. * , Anisin А.V. † , Eliseev G.М. ‡ , Kopkin S.V. § , and Reese Jones ** *, †, ‡, § Russian Federal Nuclear Center - All-Russia Research Institute of Experimental Physics (RFNC-VNIIEF), 607190 Sarov, Mira-37, Russia ** Sandia National Laboratories, MS 9404, P.O. Box 0969, Livermore, CA 94551, USA Summary: Computations of jump activation energy DH j and diffusion jump frequency n have been carried out using the Density Functional Theory (DFT) and Molecular Dynamics (MD) method for a single crystal of Si. These parameters define the rate of vacancy diffusion transport.

398

Quantum thermal waves in quantum corrals  

E-Print Network (OSTI)

In this paper the possibility of the generation of the thermal waves in 2D electron gas is investigated. In the frame of the quantum heat transport theory the 2D quantum hyperbolic heat transfer equation is formulated and numerically solved. The obtained solutions are the thermal waves in electron 2D gases. As an exapmle the thermal waves in quantum corrals are described. Key words: 2D electron gas, quantum corrals, thermal waves.

J. Marciak-Kozlowska; M. Kozlowski

2004-05-07T23:59:59.000Z

399

Time-Energy Measure for Quantum Processes  

E-Print Network (OSTI)

Quantum mechanics sets limits on how fast quantum processes can run given some system energy through time-energy uncertainty relations, and they imply that time and energy are tradeoff against each other. Thus, we propose to measure the time-energy as a single unit for quantum channels. We consider a time-energy measure for quantum channels and compute lower and upper bounds of it using the channel Kraus operators. For a special class of channels (which includes the depolarizing channel), we can obtain the exact value of the time-energy measure. One consequence of our result is that erasing quantum information requires $\\sqrt{(n+1)/n}$ times more time-energy resource than erasing classical information, where $n$ is the system dimension.

Chi-Hang Fred Fung; H. F. Chau

2013-05-24T23:59:59.000Z

400

Quantum Dimensions and Quantum Galois Theory  

E-Print Network (OSTI)

The quantum dimensions of modules for vertex operator algebras are defined and their properties are discussed. The possible values of the quantum dimensions are obtained for rational vertex operator algebras. A criterion for simple currents of a rational vertex operator algebra is given. A full Galois theory for rational vertex operator algebras is established using the quantum dimensions.

Dong, Chongying; Xu, Feng

2012-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


401

Quantum Money from Hidden Subspaces  

E-Print Network (OSTI)

Forty years ago, Wiesner pointed out that quantum mechanics raises the striking possibility of money that cannot be counterfeited according to the laws of physics. We propose the first quantum money scheme that is (1) public-key, meaning that anyone can verify a banknote as genuine, not only the bank that printed it, and (2) cryptographically secure, under a "classical" hardness assumption that has nothing to do with quantum money. Our scheme is based on hidden subspaces, encoded as the zero-sets of random multivariate polynomials. A main technical advance is to show that the "black-box" version of our scheme, where the polynomials are replaced by classical oracles, is unconditionally secure. Previously, such a result had only been known relative to a quantum oracle (and even there, the proof was never published). Even in Wiesner's original setting -- quantum money that can only be verified by the bank -- we are able to use our techniques to patch a major security hole in Wiesner's scheme. We give the first p...

Aaronson, Scott

2012-01-01T23:59:59.000Z

402

Applied Quantum Information Science  

Science Conference Proceedings (OSTI)

Applied Quantum Information Science. Summary: Theory is being developed and used to devise methods for preserving ...

2012-05-30T23:59:59.000Z

403

Quantum Dots Executive Overview  

E-Print Network (OSTI)

Quantum Dot Sol-Gel Nanocomposites (patent pending) n Nanocrystal Quantum Dot Light Emitting Diode (patent (CRADA) Business Opportunities LANL's quantum dot portfolio includes a high-efficiency light emitting diode (LED) design based on non-radiative energy transfer from a quantum well into a layer of colloidal

404

Ergodic Quantum Computing  

Science Conference Proceedings (OSTI)

We propose a (theoretical) model for quantum computation where the result can be read out from the time average of the Hamiltonian dynamics of a 2-dimensional crystal on a cylinder.The Hamiltonian is a spatially local interaction among Wigner--Seitz ... Keywords: Hamiltonian of a quantum computer, Quantum cellular automata, solid state quantum computing, thermodynamics of computation

Dominik Janzing; Pawel Wocjan

2005-06-01T23:59:59.000Z

405

Quantum chaology Michael Berry  

E-Print Network (OSTI)

1 Quantum chaology Michael Berry Physics Department, University of Bristol Physics pp104-5 of Quantum: a guide for the perplexed by Jim Al-Khalili (Weidenfeld and Nicolson 2003) The quantum world appears very different from the world of classical physics that it superseded. Quantum energy levels

Berry, Michael Victor

406

QUANTUM GROUPS JOHAN KUSTERMANS  

E-Print Network (OSTI)

QUANTUM GROUPS JOHAN KUSTERMANS Syllabus: #15; The de#12;nition of a locally compact quantum group: motivational ex- amples and special cases. The classical case, compact and discrete quantum groups. #15 for weights. #15; The general de#12;nition of a locally compact quantum group and its basic consequences

Schürmann, Michael

407

Quantum discord and Markovianity of quantum dynamics  

E-Print Network (OSTI)

The problem of recognizing (non-)Markovianity of a quantum dynamics is revisited through analyzing quan- tum correlations. We argue that instantaneously-vanishing quantum discord provides a necessary and sufficient condition for Markovianity of a quantum map. This is used to introduce a measure of non-Markovianity. This measure, however, requires demanding knowledge about the system and the environment. By using a quantum correlation monogamy property and an ancillary system, we propose a simplified measure with less require- ments. Non-Markovianity is thereby decided by quantum state tomography of the system and the ancilla.

Alipour, S

2012-01-01T23:59:59.000Z

408

LANL | Physics | Quantum Information  

NLE Websites -- All DOE Office Websites (Extended Search)

Breakthrough quantum information Breakthrough quantum information science and technology Physics Division's quantum information science and technology capability supports present and future Laboratory missions in cyber-security, sensing, nonproliferation, information science, and materials. Collaborating with researchers throughout Los Alamos and leading institutions in the nation, Physics Division scientists are involved in projects in quantum communications, including quantum key distribution and quantum-enabled security and networking, and in quantum cold-atom physics. Recent fundamental science results include the ability to "paint" potentials that can trap Bose-Einstein condensates into geometric forms, such as the toroidal ring of clusters, the density of which is measured in

409

Quantum extended crystal PDE's  

E-Print Network (OSTI)

Our recent results on {\\em extended crystal PDE's} are generalized to PDE's in the category $\\mathfrak{Q}_S$ of quantum supermanifolds. Then obstructions to the existence of global quantum smooth solutions for such equations are obtained, by using algebraic topologic techniques. Applications are considered in details to the quantum super Yang-Mills equations. Furthermore, our geometric theory of stability of PDE's and their solutions, is also generalized to quantum extended crystal PDE's. In this way we are able to identify quantum equations where their global solutions are stable at finite times. These results, are also extended to quantum singular (super)PDE's, introducing ({\\em quantum extended crystal singular (super) PDE's}).

Agostino Prástaro

2011-05-01T23:59:59.000Z

410

Quantum Computational Complexity John Watrous  

E-Print Network (OSTI)

Quantum Computational Complexity John Watrous Institute for Quantum Computing and School of the subject and its importance II. Introduction III. The quantum circuit model IV. Polynomial-time quantum computations V. Quantum proofs VI. Quantum interactive proof systems VII. Other selected notions in quantum

Watrous, John

411

Quantification of the Mercury Adsorption Mechanism on Brominated Activated  

NLE Websites -- All DOE Office Websites (Extended Search)

Quantification of the Mercury Adsorption Mechanism on Brominated Activated Quantification of the Mercury Adsorption Mechanism on Brominated Activated Carbon Saturday, August 31, 2013 The primary anthropogenic source of mercury (Hg) emissions into the atmosphere is coal-fired power utilities. This work explores materials designed for Hg capture to be applied in the ductwork of a power plant to prevent Hg release into the atmosphere. Bench-scale combustion experiments have been carried out, in which sorbent materials were placed in a simulated flue gas stream doped with ppb levels of Hg. The sorbent surfaces were probed using x-ray absorption spectroscopy to determine the mechanism of Hg binding and to ultimately improve solvent design. The spectroscopy data was analyzed alongside results from density functional theory (DFT) for benchmarking so that DFT can be used as a screening tool for material

412

A quantum model for the stock market  

E-Print Network (OSTI)

Beginning with several basic hypotheses of quantum mechanics, we give a new quantum model in econophysics. In this model, we define wave functions and operators of the stock market to establish the Schr\\"odinger equation for the stock price. Based on this theoretical framework, an example of a driven infinite quantum well is considered, in which we use a cosine distribution to simulate the state of stock price in equilibrium. After adding an external field into the Hamiltonian to analytically calculate the wave function, the distribution and the average value of the rate of return are shown.

Chao Zhang; Lu Huang

2010-09-24T23:59:59.000Z

413

Quantum optical waveform conversion  

E-Print Network (OSTI)

Currently proposed architectures for long-distance quantum communication rely on networks of quantum processors connected by optical communications channels [1,2]. The key resource for such networks is the entanglement of matter-based quantum systems with quantum optical fields for information transmission. The optical interaction bandwidth of these material systems is a tiny fraction of that available for optical communication, and the temporal shape of the quantum optical output pulse is often poorly suited for long-distance transmission. Here we demonstrate that nonlinear mixing of a quantum light pulse with a spectrally tailored classical field can compress the quantum pulse by more than a factor of 100 and flexibly reshape its temporal waveform, while preserving all quantum properties, including entanglement. Waveform conversion can be used with heralded arrays of quantum light emitters to enable quantum communication at the full data rate of optical telecommunications.

Kielpinski, D; Wiseman, HM

2010-01-01T23:59:59.000Z

414

Quantum Ice : a quantum Monte Carlo study  

E-Print Network (OSTI)

Ice states, in which frustrated interactions lead to a macroscopic ground-state degeneracy, occur in water ice, in problems of frustrated charge order on the pyrochlore lattice, and in the family of rare-earth magnets collectively known as spin ice. Of particular interest at the moment are "quantum spin ice" materials, where large quantum fluctuations may permit tunnelling between a macroscopic number of different classical ground states. Here we use zero-temperature quantum Monte Carlo simulations to show how such tunnelling can lift the degeneracy of a spin or charge ice, stabilising a unique "quantum ice" ground state --- a quantum liquid with excitations described by the Maxwell action of 3+1-dimensional quantum electrodynamics. We further identify a competing ordered "squiggle" state, and show how both squiggle and quantum ice states might be distinguished in neutron scattering experiments on a spin ice material.

Nic Shannon; Olga Sikora; Frank Pollmann; Karlo Penc; Peter Fulde

2011-05-20T23:59:59.000Z

415

Fractional Quantum Hall States in Graphene  

E-Print Network (OSTI)

We quantum mechanically analyze the fractional quantum Hall effect in graphene. This will be done by building the corresponding states in terms of a potential governing the interactions and discussing other issues. More precisely, we consider a system of particles in the presence of an external magnetic field and take into account of a specific interaction that captures the basic features of the Laughlin series \

Ahmed Jellal; Bellati Malika

2008-05-15T23:59:59.000Z

416

Quantum mechanics problems in observer's mathematics  

Science Conference Proceedings (OSTI)

This work considers the ontology, guiding equation, Schrodinger's equation, relation to the Born Rule, the conditional wave function of a subsystem in a setting of arithmetic, algebra and topology provided by Observer's Mathematics (see www.mathrelativity.com). Observer's Mathematics creates new arithmetic, algebra, geometry, topology, analysis and logic which do not contain the concept of continuum, but locally coincide with the standard fields. Certain results and communications pertaining to solutions of these problems are provided. In particular, we prove the following theorems: Theorem I (Two-slit interference). Let {Psi}{sub 1} be a wave from slit 1, {Psi}{sub 2} - from slit 2, and {Psi} = {Psi}{sub 1}+{Psi}{sub 2}. Then the probability of {Psi} being a wave equals to 0.5. Theorem II (k-bodies solution). For W{sub n} from m-observer point of view with m>log{sub 10}((2 Multiplication-Sign 10{sup 2n}-1){sup 2k}+1), the probability of standard expression of Hamiltonian variation is less than 1 and depends on n,m,k.

Khots, Boris; Khots, Dmitriy [Compressor Controls Corp, Des Moines, Iowa (United States); iMath Consulting LLC, Omaha, Nebraska (United States)

2012-11-06T23:59:59.000Z

417

Magnetic monopoles and dipoles in quantum mechanics  

Science Conference Proceedings (OSTI)

The force on and the energy of a ''di-monopole'', which is the limiting case of a dipole made from two monopoles at zero separation and finite magnetic moment, interacting with an externally fixed magnetic field resulting from an electric current, is considered. A model involving only a monopole is used to illustrate the physical principles involved when magnetic sources move in a solenoidal field whose source is an electric current. The problems encountered in Hamiltonian theory are discussed. 5 refs., 3 figs. (LEW)

Lipkin, H.J.; Peshkin, M.

1986-01-01T23:59:59.000Z

418

A Foundation Theory Of Quantum Mechanics  

Science Conference Proceedings (OSTI)

The nRules are empirical regularities that were discovered in macroscopic situations where the outcome is known. When they are projected theoretically into the microscopic domain they predict a novel ontology including the frequent collapse of an atomic wave function

Richard A. Mould

2006-01-01T23:59:59.000Z

419

Quantum dynamics in dual spaces  

Science Conference Proceedings (OSTI)

Quantum mechanics gives us information about spectra of dynamical variables and transition rates including scattering cross sections. They can be exhibited as spectral information in analytically continued spaces and their duals. Quantum mechanics formulated in these generalized spaces is used to study scattering and time evolution. It is shown that the usual asymptotic condition is inadequate to deal with scattering of composite or unstable particles. Scattering theory needs amendment when the interacting system is not isospectral with the free Hamiltonian, and the amendment is formulated. Perturbation theory in generalized spaces is developed and used to study the deletion and augmentation of the spectrum of the Hamiltonian. A complete set of algebraically independent constants for an interacting system is obtained. The question of the breaking of time symmetry is discussed.

Sudarshan, E.C.G.

1993-12-31T23:59:59.000Z

420

Life and Quantum Biology, an Interdisciplinary Approach  

E-Print Network (OSTI)

The rapidly increasing interest in the quantum properties of living matter stimulates a discussion of the fundamental properties of life as well as quantum mechanics. In this discussion often concepts are used that originate in philosophy and ask for a philosophical analysis. In the present work the classic philosophical tradition based on Aristotle and Aquinas is employed which surprisingly is able to shed light on important aspects. Especially one could mention the high degree of unity in living objects and the occurrence of thorough qualitative changes. The latter are outside the scope of classical physics where changes are restricted to geometrical rearrangement of microscopic particles. A challenging approach is used in the philosophical analysis as the empirical evidence is not taken from everyday life but from 20th century science (quantum mechanics) and recent results in the field of quantum biology. In the discussion it is argued that quantum entanglement is possibly related to the occurrence of life. Finally it is recommended that scientists and philosophers should be open for dialogue that could enrich both. Scientists could redirect their investigation, as paradigm shifts like the one originating from philosophical evaluation of quantum mechanics give new insight about the relation between the whole en the parts. Whereas philosophers could use scientific results as a consistency check for their philosophical framework for understanding reality.

Alfred Driessen

2011-09-12T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


421

Physics as Quantum Information Processing: Quantum Fields as Quantum Automata 1  

E-Print Network (OSTI)

Physics as Quantum Information Processing: Quantum Fields as Quantum Automata 1 Giacomo Mauro D Nazionale di Fisica Nucleare, Gruppo IV, Sezione di Pavia Abstract. Can we reduce Quantum Field Theory (QFT) to a quantum computation? Can physics be simulated by a quantum computer? Do we believe that a quantum field

D'Ariano, Giacomo Mauro

422

Multimode strong-coupling quantum optomechanics  

E-Print Network (OSTI)

We study theoretically the dynamics of multiple mechanical oscillators coupled to a single cavity field mode via linear or quadratic optomechanical interactions. We focus specifically on the strong coupling regime where the cavity decays much faster than the mechanical modes, and the optomechanical coupling is comparable to or larger than the mechanical frequency, so that both the optical and mechanical systems operate in the deep quantum regime. Using the examples of one and two mechanical oscillators we show that the system can classically exhibit bistability and bifurcations, and we explore how these manifest themselves in interference, entanglement, and correlation in the quantum theory, while revealing the impact of decoherence of the mechanical system due to cavity fluctuations and coherent driving.

H. Seok; L. F. Buchmann; E. M. Wright; P. Meystre

2013-09-27T23:59:59.000Z

423

Intermediate-band photosensitive device with quantum dots having tunneling barrier embedded in organic matrix  

DOE Patents (OSTI)

A plurality of quantum dots each have a shell. The quantum dots are embedded in an organic matrix. At least the quantum dots and the organic matrix are photoconductive semiconductors. The shell of each quantum dot is arranged as a tunneling barrier to require a charge carrier (an electron or a hole) at a base of the tunneling barrier in the organic matrix to perform quantum mechanical tunneling to reach the respective quantum dot. A first quantum state in each quantum dot is between a lowest unoccupied molecular orbital (LUMO) and a highest occupied molecular orbital (HOMO) of the organic matrix. Wave functions of the first quantum state of the plurality of quantum dots may overlap to form an intermediate band.

Forrest, Stephen R. (Ann Arbor, MI)

2008-08-19T23:59:59.000Z

424

Ligand Discrimination in Myoglobin from Linear-Scaling DFT+U  

E-Print Network (OSTI)

Myoglobin modulates the binding of diatomic molecules to its heme group via hydrogen-bonding and steric interactions with neighboring residues, and is an important benchmark for computational studies of biomolecules. We have performed calculations on the heme binding site and a significant proportion of the protein environment (more than 1000 atoms) using linear-scaling density functional theory and the DFT+U method to correct for self-interaction errors associated with localized 3d states. We confirm both the hydrogen-bonding nature of the discrimination effect (3.6 kcal/mol) and assumptions that the relative strain energy stored in the protein is low (less than 1 kcal/mol). Our calculations significantly widen the scope for tackling problems in drug design and enzymology, especially in cases where electron localization, allostery or long-ranged polarization influence ligand binding and reaction.

Cole, Daniel J; Payne, Mike C

2013-01-01T23:59:59.000Z

425

The Emergence and Interpretation of Probability in Bohmian Mechanics1  

E-Print Network (OSTI)

The Emergence and Interpretation of Probability in Bohmian Mechanics1 The Bohm interpretation of quantum mechanics is capable of illustrating, by itself, virtually every philosophical and foundational comes in many forms, both stochastic and deterministic. The other reason is that quantum mechanics

Callender, Craig

426

Bohmian Mechanics and the Meaning of the Wave Function  

E-Print Network (OSTI)

Bohmian Mechanics and the Meaning of the Wave Function D. D¨urr Mathematisches Institut der predictive successes, quantum mechanics has, since its inception some seventy years ago, been plagued the measurement problem is not merely one of the conceptual difficulties of quantum mechanics

Goldstein, Sheldon

427

ON THE FAITHFUL INTERPRETATION OF PURE WAVE MECHANICS  

E-Print Network (OSTI)

ON THE FAITHFUL INTERPRETATION OF PURE WAVE MECHANICS JEFFREY A. BARRETT In the long version of his Ph.D. thesis, Hugh Everett III developed pure wave mechanics as a way of solving the quantum measurement problem faced by the standard von Neumann-Dirac collapse formulation of quantum mechanics.1 Pure

Wüthrich, Christian

428

Continuous Emission of A Radiation Quantum  

E-Print Network (OSTI)

It is in accordance with such experiments as single photon self-interference that a photon, conveying one radiation energy quantum "$ h \\times$ frequency", is spatially extensive and stretches an electromagnetic wave train. A wave train, hence an energy quantum, can only be emitted by its source gradually. In both the two processes the wave and "particle" attributes of the radiation field are simultaneously prominent, where an overall satisfactory theory has been lacking. This paper presents a first principles treatment, in a unified framework of the classical and quantum mechanics, of the latter process, the emission of a single radiation quantum based on the dynamics of the radiation-emitting source, a charged oscillator which is itself extensive across its confining potential well. During the emission of one single radiation quantum, the extensive charged oscillator undergoes a continuous radiation damping and is non-stationary. This process is in this work treated using a quasi stationary approach, whereby the classical equation of motion, which directly facilitates the correspondence principle for a particle oscillator, and the quantum wave equation are established for each sufficiently brief time interval. As an inevitable consequence of the division of the total time for emitting one single quantum, a fractional Planck constant $h$ is introduced. The solutions to the two simultaneous equations yield for the charged oscillator a continuously exponentially decaying Hamiltonian that is at the same time quantised with respect to the fractional-$h$ at any instant of time; and the radiation wave field emitted over time stretches a wave train of finite length. The total system of the source and radiation field maintains at any time (integer $n$ times) one whole energy quantum, $h \\times$ frequency, in complete accordance with the notion of quantum mechanics and experiment.

J. X. Zheng-Johansson

2013-11-29T23:59:59.000Z

429

The Quantum Hydrodynamic Description of Tunneling  

SciTech Connect

The quantum hydrodynamic approach is based on the de Broglie-Bohm formulation of quantum mechanics. The resulting fluid-like equations of motion describe the flow of probability and an accurate solution to these equations is equivalent to solving the time-dependent Schroedinger equation. Furthermore, the hydrodynamic approach provides new insight into the mechanisms as well as an alternative computational approach for treating tunneling phenomena. New concepts include well-defined 'quantum trajectories', 'quantum potential', and 'quantum force' all of which have classical analogues. The quantum potential and its associated force give rise to all quantum mechanical effects such as zero point energy, tunneling, and interference. A new numerical approach called the Iterative Finite Difference Method (IFDM) will be discussed. The IFDM is used to solve the set of non-linear coupled hydrodynamic equations. It is 2nd-order accurate in both space and time and exhibits exponential convergence with respect to the iteration count. The stability and computational efficiency of the IFDM is significantly improved by using a 'smart' Eulerian grid which has the same computational advantages as a Lagrangian or Arbitrary Lagrangian Eulerian (ALE) grid. The IFDM is also capable of treating anharmonic potentials. Example calculations using the IFDM will be presented which include: a one-dimensional Gaussian wave packet tunneling through an Eckart barrier, a one-dimensional bound-state Morse oscillator, and a two-dimensional (2D) model collinear reaction using an anharmonic potential energy surface. Approximate treatments of the quantum hydrodynamic equations will also be discussed which could allow scaling of the calculations to hundreds of degrees of freedom which is important for treating tunneling phenomena in condensed phase systems.

Kendrick, Brian K. [Los Alamos National Laboratory

2012-06-15T23:59:59.000Z

430

Geometrical perspective on quantum states and quantum computation  

E-Print Network (OSTI)

We interpret quantum computing as a geometric evolution process by reformulating finite quantum systems via Connes' noncommutative geometry. In this formulation, quantum states are represented as noncommutative connections, while gauge transformations on the connections play a role of unitary quantum operations. Thereby, a geometrical model for quantum computation is presented, which is equivalent to the quantum circuit model. This result shows a geometric way of realizing quantum computing and as such, provides an alternative proposal of building a quantum computer.

Zeqian Chen

2013-11-20T23:59:59.000Z

431

Unconditional conversion between quantum particles and waves  

E-Print Network (OSTI)

Wave-particle duality is a basic notion of quantum mechanics, which has largely contributed to many debates on the foundations of quantum theory. Besides this fundamental aspect of the wave-particle nature of quantum systems, recently, it turned out that, in order to construct more advanced and efficient protocols in quantum communication and information processing, it is also beneficial to combine continuous-wave and discrete-particle features in a so-called hybrid fashion. However, in traditional, quantum optical complementarity tests, monitoring the light waves would still happen in an effectively particle-like fashion, detecting the fields click by click. Similarly, close-to-classical, wave-like coherent states, as readily available from standard laser sources, or other Gaussian states generated through nonlinear optical interactions, have been so far experimentally converted into non-classical quantum superpositions of distinct waves only in a conditional fashion. Here we experimentally demonstrate the deterministic conversion of a single-photon state into a quantum superposition of two weak coherent states with opposite phases - a Schrodinger kitten state - and back. Conceptually different from all previous experiments, as being fully reversible, this can be interpreted as a quantum gate, connecting the complementary regimes of particle-like and wave-like light fields in a unitary fashion, like in a quantum computation. Such an unconditional conversion is achieved by means of a squeezing operation, demonstrating a fundamental feature of any quantum system: particle-like and wave-like properties can be reversibly altered, with no need for filtering out either through detection.

Yoshichika Miwa; Jun-ichi Yoshikawa; Noriaki Iwata; Mamoru Endo; Petr Marek; Radim Filip; Peter van Loock; Akira Furusawa

2012-09-13T23:59:59.000Z

432

Macroscopic quantum behaviour of periodic quantum systems  

E-Print Network (OSTI)

In this paper we introduce a simple procedure for computing the macroscopic quantum behaviour of periodic quantum systems in the high energy regime. The macroscopic quantum coherence is ascribed to a one-particle state, not to a condensate of a many-particle system; and we are referring to a system of high energy but with few degrees of freedom. We show that, in the first order of approximation, the quantum probability distributions converge to its classical counterparts in a clear fashion, and that the interference effects are strongly suppressed. The harmonic oscillator provides a testing ground for these ideas and yields excellent results.

A. Martín-Ruiz; J. Bernal; Adrián Carbajal-Domínguez

2013-09-02T23:59:59.000Z

433

Modeling Quantum Information Systems abstract  

Science Conference Proceedings (OSTI)

Paul E. Black and Andrew W. Lane, Modeling Quantum Information Systems, Proc. SPIE, Vol. 5436, Quantum Information ...

2013-05-07T23:59:59.000Z

434

Quantum logic and coherent control  

Science Conference Proceedings (OSTI)

... CS Wood, "Quantum Computation, Spectroscopy of ... K. Fujikawa (Elsevier Science, Amsterdam, 1999 ... of trapped atomic ions," Advances in Quantum ...

2013-06-15T23:59:59.000Z

435

NIST Quantum Physics Division Staff  

Science Conference Proceedings (OSTI)

Quantum Physics Division. Staff. Name, Position, Phone. ... Physics Laboratory. Quantum Physics Division. Thomas O'Brian, Acting Chief. ...

2013-09-10T23:59:59.000Z

436

Quantum noise and stochastic reduction  

E-Print Network (OSTI)

In standard nonrelativistic quantum mechanics the expectation of the energy is a conserved quantity. It is possible to extend the dynamical law associated with the evolution of a quantum state consistently to include a nonlinear stochastic component, while respecting the conservation law. According to the dynamics thus obtained, referred to as the energy-based stochastic Schrodinger equation, an arbitrary initial state collapses spontaneously to one of the energy eigenstates, thus describing the phenomenon of quantum state reduction. In this article, two such models are investigated: one that achieves state reduction in infinite time, and the other in finite time. The properties of the associated energy expectation process and the energy variance process are worked out in detail. By use of a novel application of a nonlinear filtering method, closed-form solutions--algebraic in character and involving no integration--are obtained for both these models. In each case, the solution is expressed in terms of a random variable representing the terminal energy of the system, and an independent noise process. With these solutions at hand it is possible to simulate explicitly the dynamics of the quantum states of complicated physical systems.

Dorje C. Brody; Lane P. Hughston

2005-08-29T23:59:59.000Z

437

Storage of energy in confined quantum systems  

E-Print Network (OSTI)

Using the non-perturbative method of {\\it dressed} states introduced in previous publications [N.P.Andion, A.P.C. Malbouisson and A. Mattos Neto, J.Phys.{\\bf A34}, 3735, (2001); G. Flores-Hidalgo, A.P.C. Malbouisson, Y.W. Milla, Phys. Rev. A, {\\bf 65}, 063314 (2002)], we study the evolution of a confined quantum mechanical system embedded in a {\\it ohmic} environment. Our approach furnishes a theoretical mechanism to control inhibition of the decay of excited quantum systems in cavities, in both weak and strong coupling regimes.

A. P. C. Malbouisson

2002-09-22T23:59:59.000Z

438

Brain-Computer Interfaces and Quantum Robots  

E-Print Network (OSTI)

The actual (classical) Brain-Computer Interface attempts to use brain signals to drive suitable actuators performing the actions corresponding to subject's intention. However this goal is not fully reached, and when BCI works, it does only in particular situations. The reason of this unsatisfactory result is that intention cannot be conceived simply as a set of classical input-output relationships. It is therefore necessary to resort to quantum theory, allowing the occurrence of stable coherence phenomena, in turn underlying high-level mental processes such as intentions and strategies. More precisely, within the context of a dissipative Quantum Field Theory of brain operation it is possible to introduce generalized coherent states associated, within the framework of logic, to the assertions of a quantum metalanguage. The latter controls the quantum-mechanical computing corresponding to standard mental operation. It thus become possible to conceive a Quantum Cyborg in which a human mind controls, through a quantum metalanguage, the operation of an artificial quantum computer.

Eliano Pessa; Paola zizzi

2009-09-08T23:59:59.000Z

439

FREE-SPACE QUANTUM CRYPTOGRAPHY IN DAYLIGHT  

Science Conference Proceedings (OSTI)

Quantum cryptography is an emerging technology in which two parties may simultaneously generate shared, secret cryptographic key material using the transmission of quantum states of light. The security of these transmissions is based on the inviolability of the laws of quantum mechanics and information-theoretically secure post-processing methods. An adversary can neither successfully tap the quantum transmissions, nor evade detection, owing to Heisenberg's uncertainty principle. In this paper we describe the theory of quantum cryptography, and the most recent results from our experimental free-space system with which we have demonstrated for the first time the feasibility of quantum key generation over a point-to-point outdoor atmospheric path in daylight. We achieved a transmission distance of 0.5 km, which was limited only by the length of the test range. Our results provide strong evidence that cryptographic key material could be generated on demand between a ground station and a satellite (or between two satellites), allowing a satellite to be securely re-keyed on orbit. We present a feasibility analysis of surface-to-satellite quantum key generation.

Hughes, R.J.; Buttler, W.T. [and others

2000-01-01T23:59:59.000Z

440

The Quantum Absorption Refrigerator Amikam Levy and Ronnie Kosloff  

E-Print Network (OSTI)

source to replace mechanical work for driving a heat pump [1]. The first device was developed in 1850 an ab- sorption refrigerator with no moving parts [2]. This idea has been incorporated recently c J h P Tc Th Tw - - - 0 FIG. 1: The quantum trickle: A quantum heat pump des- ignated

Kosloff, Ronnie

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


441

QUANTUM CONVERSION IN PHOTOSYNTHESIS  

E-Print Network (OSTI)

W _7405-eng- 4B QUANTUM CONVERSION IN PHOTOSYNTHESIS Melvint r UCRL-9 533 QUANrUM CONVERSION IN PHWOSYNTHESIS * Melvinitself. The primary quantum conversion act is an ionization

Calvin, Melvin

2008-01-01T23:59:59.000Z

442

Instrumentation for quantum computers  

E-Print Network (OSTI)

Quantum computation poses challenging engineering and basic physics issues for the control of nanoscale systems. In particular, experimental realizations of up to seven-qubit NMR quantum computers have acutely illustrated ...

Huang, Wei-Han, 1979-

2004-01-01T23:59:59.000Z

443

Quantum Chevalley groups  

E-Print Network (OSTI)

The goal of this paper is to construct quantum analogues of Chevalley groups inside completions of quantum groups or, more precisely, inside completions of Hall algebras of finitary categories.

Berenstein, Arkady

2012-01-01T23:59:59.000Z

444

Searching with Quantum Computers  

E-Print Network (OSTI)

This article introduces quantum computation by analogy with probabilistic computation. A basic description of the quantum search algorithm is given by representing the algorithm as a C program in a novel way.

Lov K. Grover

2000-11-30T23:59:59.000Z

445

Quantum discord as a resource in quantum protocols  

E-Print Network (OSTI)

We show quantum discord to be a resource in quantum information processing. This is accomplished by proving a relation between quantum discord and the yield of the quantum protocols. Our results are derived by studying the fully quantum Slepian-Wolf protocol -- a unification of all bipartite, unidirectional and memoryless quantum communication protocols -- in the presence of noise. As examples, we elucidate the significance of quantum discord in quantum teleportation, superdense coding, and entanglement distillation. Finally, we provide the first quantitative relation between quantum discord and the query complexity of quantum computations.

Madhok, Vaibhav

2012-01-01T23:59:59.000Z

446

Quantum money from knots  

E-Print Network (OSTI)

Quantum money is a cryptographic protocol in which a mint can produce a quantum state, no one else can copy the state, and anyone (with a quantum computer) can verify that the state came from the mint. We present a concrete quantum money scheme based on superpositions of diagrams that encode oriented links with the same Alexander polynomial. We expect our scheme to be secure against computationally bounded adversaries.

Farhi, Edward; Hassidim, Avinatan; Lutomirski, Andrew; Shor, Peter

2010-01-01T23:59:59.000Z

447

Quantum money from knots  

E-Print Network (OSTI)

Quantum money is a cryptographic protocol in which a mint can produce a quantum state, no one else can copy the state, and anyone (with a quantum computer) can verify that the state came from the mint. We present a concrete quantum money scheme based on superpositions of diagrams that encode oriented links with the same Alexander polynomial. We expect our scheme to be secure against computationally bounded adversaries.

Edward Farhi; David Gosset; Avinatan Hassidim; Andrew Lutomirski; Peter Shor

2010-04-28T23:59:59.000Z

448

A Quantum Bousso Bound  

E-Print Network (OSTI)

The Bousso bound requires that one quarter the area of a closed codimension two spacelike surface exceeds the entropy flux across a certain lightsheet terminating on the surface. The bound can be violated by quantum effects such as Hawking radiation. It is proposed that at the quantum level the bound be modified by adding to the area the quantum entanglement entropy across the surface. The validity of this quantum Bousso bound is proven in a two-dimensional large N dilaton gravity theory.

Andrew Strominger; David Thompson

2003-03-10T23:59:59.000Z

449

Quantum Algorithm Zoo  

Science Conference Proceedings (OSTI)

... 27 Andrew M. Childs, Richard Cleve, Stephen P. Jordan, and David Yeung Discrete-query quantum algorithm for NAND trees. ...

2013-11-11T23:59:59.000Z

450

Quantum Physics Portal  

Science Conference Proceedings (OSTI)

... for Science and Technology (CODATA) issues recommended values of the fundamental physical constants ... see all Quantum Physics programs and ...

2013-03-07T23:59:59.000Z

451

Quantum Physics Division Homepage  

Science Conference Proceedings (OSTI)

... Contact. Physical Measurement Laboratory Quantum Physics Division General Information: 303-735-1985 Telephone 303-492-5235 Facsimile. ...

2013-06-28T23:59:59.000Z

452

Quantum Physics Theory  

Science Conference Proceedings (OSTI)

Quantum Physics Theory. Summary: Theoretical work ... constant. The database is available at http://physics.nist.gov/hdel. Precise ...

2010-10-05T23:59:59.000Z

453

Book Review of Stephen L. Adler's, "Quantum theory as an emergent phenomenon."  

E-Print Network (OSTI)

In Stephen Adler's book, "Quantum theory as an emergent phenomenon," the author starts from a classical mechanics structure and "derives" the formalism of quantum theory, together with wave function collapse dynamics, the latter providing the interpretation of quantum theory. A detailed outline of the author's argument is presented in this book review.

Philip Pearle

2006-02-07T23:59:59.000Z

454

Vacuum energy: quantum hydrodynamics vs quantum gravity  

E-Print Network (OSTI)

We compare quantum hydrodynamics and quantum gravity. They share many common features. In particular, both have quadratic divergences, and both lead to the problem of the vacuum energy, which in the quantum gravity transforms to the cosmological constant problem. We show that in quantum liquids the vacuum energy density is not determined by the quantum zero-point energy of the phonon modes. The energy density of the vacuum is much smaller and is determined by the classical macroscopic parameters of the liquid including the radius of the liquid droplet. In the same manner the cosmological constant is not determined by the zero-point energy of quantum fields. It is much smaller and is determined by the classical macroscopic parameters of the Universe dynamics: the Hubble radius, the Newton constant and the energy density of matter. The same may hold for the Higgs mass problem: the quadratically divergent quantum correction to the Higgs potential mass term is also cancelled by the microscopic (trans-Planckian) degrees of freedom due to thermodynamic stability of the whole quantum vacuum.

G. E. Volovik

2005-05-20T23:59:59.000Z

455

Stephen Hawking Quantum Gravity  

E-Print Network (OSTI)

Stephen Hawking and Quantum Gravity Matt Visser Physics Department Washington University Saint Louis USA Science Saturdays 4 Nov 2000 #12; Stephen Hawking and Quantum Gravity Abstract: Through research, Stephen Hawking has captured a place in the popular imagina- tion. Quantum gravity in its various

Visser, Matt

456

Quantum money from knots  

E-Print Network (OSTI)

Quantum money is a cryptographic protocol in which a mint can produce a quantum state, no one else can copy the state, and anyone (with a quantum computer) can verify that the state came from the mint. We present a concrete ...

Farhi, Edward

457

Quantum Computing Computer Scientists  

E-Print Network (OSTI)

Quantum Computing for Computer Scientists Noson S. Yanofsky and Mirco A. Mannucci #12;© May 2007 Noson S. Yanofsky Mirco A. Mannucci #12;Quantum Computing for Computer Scientists Noson S. Yanofsky of Vector Spaces 3 The Leap From Classical to Quantum 3.1 Classical Deterministic Systems 3.2 Classical

Yanofsky, Noson S.

458

Topological Quantum Distillation  

E-Print Network (OSTI)

We construct a class of topological quantum codes to perform quantum entanglement distillation. These codes implement the whole Clifford group of unitary operations in a fully topological manner and without selective addressing of qubits. This allows us to extend their application also to quantum teleportation, dense coding and computation with magic states.

H. Bombin; M. A. Martin-Delgado

2006-05-16T23:59:59.000Z

459

The Propagation of Quantum Information Through a Spin System  

E-Print Network (OSTI)

It has been recently suggested that the dynamics of a quantum spin system may provide a natural mechanism for transporting quantum information. We show that one dimensional rings of qubits with fixed (time-independent) interactions, constant around the ring, allow high fidelity communication of quantum states. We show that the problem of maximising the fidelity of the quantum communication is related to a classical problem in fourier wave analysis. By making use of this observation we find that if both communicating parties have access to limited numbers of qubits in the ring (a fraction that vanishes in the limit of large rings) it is possible to make the communication arbitrarily good.

Tobias J. Osborne; Noah Linden

2003-12-16T23:59:59.000Z

460

From permanence to total availability: a quantum conceptual upgrade  

E-Print Network (OSTI)

We consider the classical concept of time of permanence and observe that its quantum equivalent is described by a bona fide self-adjoint operator. Its interpretation, by means of the spectral theorem, reveals that we have to abandon not only the idea that quantum entities would be characterizable in terms of spatial trajectories but, more generally, that they would possess the very attribute of spatiality. Consequently, a permanence time shouldn't be interpreted as a "time" in quantum mechanics, but as a measure of the total availability of a quantum entity in participating to a creative process of spatial localization.

de Bianchi, Massimiliano Sassoli

2010-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "dft quantum mechanics" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


461

Quantum Gravity: Has Spacetime Quantum Properties?  

E-Print Network (OSTI)

The incompatibility between GR and QM is generally seen as a sufficient motivation for the development of a theory of Quantum Gravity. If - so a typical argumentation - QM gives a universally valid basis for the description of all natural systems, then the gravitational field should have quantum properties. Together with the arguments against semi-classical theories of gravity, this leads to a strategy which takes a quantization of GR as the natural avenue to Quantum Gravity. And a quantization of the gravitational field would in some sense correspond to a quantization of geometry. Spacetime would have quantum properties. But, this strategy will only be successful, if gravity is a fundamental interaction. - What, if gravity is instead an intrinsically classical phenomenon? Then, if QM is nevertheless fundamentally valid, gravity can not be a fundamental interaction. An intrinsically classical gravity in a quantum world would have to be an emergent, induced or residual, macroscopic effect, caused by other interactions. The gravitational field (as well as spacetime) would not have any quantum properties. A quantization of GR would lead to artifacts without any relation to nature. The serious problems of all approaches to Quantum Gravity that start from a direct quantization of GR or try to capture the quantum properties of gravity in form of a 'graviton' dynamics - together with the, meanwhile, rich spectrum of approaches to an emergent gravity and/or spacetime - make this latter option more and more interesting for the development of a theory of Quantum Gravity. The most advanced emergent gravity (and spacetime) scenarios are of an information-theoretical, quantum-computational type.

Reiner Hedrich

2009-02-02T23:59:59.000Z

462

Quantum Information Science | ornl.gov  

NLE Websites -- All DOE Office Websites (Extended Search)

Engineering Analysis Behavioral Sciences Geographic Information Science and Technology Quantum Information Science Quantum Communication and Security Quantum-Enhanced Sensing...

463

CORRELATIONS IN CONFINED QUANTUM PLASMAS  

Science Conference Proceedings (OSTI)

This is the final report for the project 'Correlations in Confined Quantum Plasmas', NSF-DOE Partnership Grant DE FG02 07ER54946, 8/1/2007 - 7/30/2010. The research was performed in collaboration with a group at Christian Albrechts University (CAU), Kiel, Germany. That collaboration, almost 15 years old, was formalized during the past four years under this NSF-DOE Partnership Grant to support graduate students at the two institutions and to facilitate frequent exchange visits. The research was focused on exploring the frontiers of charged particle physics evolving from new experimental access to unusual states associated with confinement. Particular attention was paid to combined effects of quantum mechanics and confinement. A suite of analytical and numerical tools tailored to the specific inquiry has been developed and employed

DUFTY J W

2012-01-11T23:59:59.000Z

464

Phase Conjugation in Quantum Optomechanics  

E-Print Network (OSTI)

We analyze the phase conjugate coupling of a pair of optomechanical oscillator modes driven by the time-dependent beat-note due to a two-color optical field. The dynamics of the direct and phase conjugate modes exhibit familiar time-reversed qualities, leading to opposite sign temperatures for the modes in the classical regime of operation, but these features are limited by quantum effects due to the non-commutative nature of quantum mechanical operators. The effects are measurable by read-out of the oscillator via a qubit. As a potential application of this system in sensing, we discuss a protocol applying phase-conjugate swaps to cancel external forces acting on the system.

L. F. Buchmann; E. M. Wright; P. Meystre

2013-05-08T23:59:59.000Z

465

Confidential Direct Communications: A Quantum Approach Using Continuous Variables  

E-Print Network (OSTI)

We consider the problem of privacy in direct communications, showing how quantum mechanics can be useful to guarantee a certain level of confidentiality. In particular, we review a continuous variable approach recently ...

Mancini, Stefano

466

Proof of Jacobi identity in generalized quantum dynamics  

Science Conference Proceedings (OSTI)

It is proven that the Jacobi identity for the generalized Poisson bracket is satisfied in the generalization of Heisenberg picture quantum mechanics recently proposed by one of the authors. The identity holds for any combination of fermionic and bosonic fields

Stephen L. Adler; Gyan V. Bhanot; John D. Weckel

1994-01-01T23:59:59.000Z

467

What is a quantum computer, and how do we build one?  

E-Print Network (OSTI)

The DiVincenzo criteria for implementing a quantum computer have been seminal in focussing both experimental and theoretical research in quantum information processing. These criteria were formulated specifically for the circuit model of quantum computing. However, several new models for quantum computing (paradigms) have been proposed that do not seem to fit the criteria well. The question is therefore what are the general criteria for implementing quantum computers. To this end, a formal operational definition of a quantum computer is introduced. It is then shown that according to this definition a device is a quantum computer if it obeys the following four criteria: Any quantum computer must (1) have a quantum memory; (2) facilitate a controlled quantum evolution of the quantum memory; (3) include a method for cooling the quantum memory; and (4) provide a readout mechanism for subsets of the quantum memory. The criteria are met when the device is scalable and operates fault-tolerantly. We discuss various existing quantum computing paradigms, and how they fit within this framework. Finally, we lay out a roadmap for selecting an avenue towards building a quantum computer. This is summarized in a decision tree intended to help experimentalists determine the most natural paradigm given a particular physical implementation.

Carlos A. Perez-Delgado; Pieter Kok

2009-06-24T23:59:59.000Z

468

Quantum Multiobservable Control  

E-Print Network (OSTI)

We present deterministic algorithms for the simultaneous control of an arbitrary number of quantum observables. Unlike optimal control approaches based on cost function optimization, quantum multiobservable tracking control (MOTC) is capable of tracking predetermined homotopic trajectories to target expectation values in the space of multiobservables. The convergence of these algorithms is facilitated by the favorable critical topology of quantum control landscapes. Fundamental properties of quantum multiobservable control landscapes that underlie the efficiency of MOTC, including the multiobservable controllability Gramian, are introduced. The effects of multiple control objectives on the structure and complexity of optimal fields are examined. With minor modifications, the techniques described herein can be applied to general quantum multiobjective control problems.

Raj Chakrabarti; Rebing Wu; Herschel Rabitz

2008-05-12T23:59:59.000Z

469

Quantum Operation Time Reversal  

E-Print Network (OSTI)

The dynamics of an open quantum system can be described by a quantum operation, a linear, complete positive map of operators. Here, I exhibit a compact expression for the time reversal of a quantum operation, which is closely analogous to the time reversal of a classical Markov transition matrix. Since open quantum dynamics are stochastic, and not, in general, deterministic, the time reversal is not, in general, an inversion of the dynamics. Rather, the system relaxes towards equilibrium in both the forward and reverse time directions. The probability of a quantum trajectory and the conjugate, time reversed trajectory are related by the heat exchanged with the environment.

Crooks, Gavin E

2007-01-01T23:59:59.000Z

470

Quantum Operation Time Reversal  

E-Print Network (OSTI)

The dynamics of an open quantum system can be described by a quantum operation, a linear, complete positive map of operators. Here, I exhibit a compact expression for the time reversal of a quantum operation, which is closely analogous to the time reversal of a classical Markov transition matrix. Since open quantum dynamics are stochastic, and not, in general, deterministic, the time reversal is not, in general, an inversion of the dynamics. Rather, the system relaxes towards equilibrium in both the forward and reverse time directions. The probability of a quantum trajectory and the conjugate, time reversed trajectory are related by the heat exchanged with the environment.

Gavin E. Crooks

2007-06-26T23:59:59.000Z

471

Quantum Physics and Nanotechnology  

E-Print Network (OSTI)

Experimental studies of infinite (unrestricted at least in one direction) quantum particle motion using probe nanotechnologies have revealed the necessity of revising previous concepts of their motion. Particularly, quantum particles transfer quantum motion nonlocality energy beside classical kinetic energy, in other words, they are in two different kinds of motion simultaneously. The quantum component of the motion energy may be quite considerable under certain circumstances. Some new effects were predicted and proved experimentally in terms of this phenomenon. A new prototype refrigerating device was tested, its principle of operation being based on the effect of transferring the quantum component of the motion energy.

Vladimir K. Nevolin

2011-06-06T23:59:59.000Z

472

'Photosynthetic' Quantum Computers?  

E-Print Network (OSTI)

Do quantum computers already exist in Nature? It is proposed that they do. Photosynthesis is one example in which a 'quantum computer' component may play a role in the 'classical' world of complex biological systems. A 'translation' of the standard metabolic description of the 'front-end' light harvesting complex in photosynthesis into the language of quantum computers is presented. Biological systems represent an untapped resource for thinking about the design and operation of hybrid quantum-classical computers and expanding our current conceptions of what defines a 'quantum computer' in Nature.

Scott M. Hitchcock

2001-08-20T23:59:59.000Z

473

Radiation reaction in nonrelativistic quantum theory. [Review  

SciTech Connect

Some recent work is reviewed on the quantum theory of radiation reaction. The starting point is the Heisenberg operator equation of motion for a nonrelativistic point electron coupled to the quantized electromagnetic field. It is shown that this equation, in contrast to its classical counterpart, leads to a finite value for the electrostatic self-energy of a point electron and, for values of the fine structure constant ..cap alpha.. approximately less than 1, admits neither runaway behavior nor noncausal motion. Furthermore, the correspondence limit of the solution to the quantum mechanical equation of motion agrees with that of the Lorentz--Dirac theory in the classical regime, but without the imposition of additional conditions and with no possibility of observable noncausality. Thus, a consistent picture of a classical point electron emerges in the correspondence limit of the quantum mechanical theory. 17 references.

Sharp, D.H.

1979-01-01T23:59:59.000Z

474

Universal quantum computation with shutter logic  

Science Conference Proceedings (OSTI)

We show that universal quantum logic can be achieved using only linear optics and a quantum shutter device. With these elements, we design a quantum memory for any number of qubits and a CNOT gate which are the basis of a universal quantum computer. ... Keywords: interaction-free measurement, optical CNOT gate, optical quantum computation, quantum interrogation, quantum memory, quantum shutter, universal quantum computer

Juan Carlos García-Escartín; Pedro Chamorro-Posada

2006-09-01T23:59:59.000Z

475

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

SciTech Connect

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

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

2010-12-15T23:59:59.000Z

476

Success Stories: Quantum Dots  

NLE Websites -- All DOE Office Websites (Extended Search)

Quantum Dots Outshine the Competition for Biomedical Assays Quantum Dots Outshine the Competition for Biomedical Assays Quantum Dots (Qdots), nano-scale semiconductor crystals that emit a range of bright colors when excited by a light source such as a laser, are shining brightly these days. The Berkeley Lab developed technology has been licensed by Quantum Dot Corporation and is being used as fluorescence probes for biomedical assays. The technology just won an R & D 100 Award and Quantum Dot Corporation was named by Fortune magazine as one of 2004's "Cool Companies." Science honored the technology as one of the Top 10 Breakthroughs of the Year in 2003, and Nanotechnology Now named Quantum Dots as the Best Nanotech Product in 2003, among other honors. Quantum Dot Corporation (QDC) is a 1998 start-up biotechnology company

477

Quantum Discord for Investigating Quantum Correlations without Entanglement in Solids  

E-Print Network (OSTI)

Quantum systems unfold diversified correlations which have no classical counterparts. These quantum correlations have various different facets. Quantum entanglement, as the most well known measure of quantum correlations, plays essential roles in quantum information processing. However, it has recently been pointed out that quantum entanglement cannot describe all the nonclassicality in the correlations. Thus the study of quantum correlations in separable states attracts widely attentions. Herein, we experimentally investigate the quantum correlations of separable thermal states in terms of quantum discord. The sudden change of quantum discord is observed, which captures ambiguously the critical point associated with the behavior of Hamiltonian. Our results display the potential applications of quantum correlations in studying the fundamental properties of quantum system, such as quantum criticality of non-zero temperature.

Rong, Xing; Jin, Fangzhou; Geng, Jianpei; Feng, Pengbo; Xu, Nanyang; Wang, Ya; Ju, Chenyong; Shi, Mingjun; Du, Jiangfeng

2012-01-01T23:59:59.000Z

478

Geometrical Characterization of Adenine And Guanine on Cu(110) By NEXAFS, XPS, And DFT Calculation  

Science Conference Proceedings (OSTI)

Adsorption of purine DNA bases (guanine and adenine) on Cu(1 1 0) was studied by X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine-structure spectroscopy (NEXAFS), and density-functional theory (DFT) calculation. At coverages near 0.2 monolayers, Angular-resolved NEXAFS analysis revealed that adenine adsorbates lie almost flat and that guanine adsorbates are tilted up on the surface with the purine ring parallel to the atom rows of Cu(1 1 0). Referring to the previous studies on pyrimidine DNA bases [M. Furukawa, H. Fujisawa, S. Katano, H. Ogasawara, Y. Kim, T. Komeda, A. Nilsson, M. Kawai, Surf. Sci. 532-535 (2003) 261], the isomerization of DNA bases on Cu(1 1 0) was found to play an important role in the adsorption geometry. Guanine, thymine and cytosine adsorption have an amine-type nitrogen next to a carbonyl group, which is dehydrogenated into imine nitrogen on Cu(1 1 0). These bases are bonded by the inherent portion of - NH-CO - altered by conversion into enolic form and dehydrogenation. Adenine contains no CO group and is bonded to Cu(1 1 0) by participation of the inherent amine parts, resulting in nearly flatly-lying position.

Furukawa, M.; Yamada, T.; /Wako, RIKEN; Katano, S.; /tohoku U.; Kawai, M.; /Wako, RIKEN /Tokyo U.; Ogasawara, H.; /SLAC, SSRL; Nilsson, A.; /SLAC, SSRL /Stockholm U.

2009-04-30T23:59:59.000Z

479

Ru L[subscript 2,3] XANES theoretical simulation with DFT: A test of the core-hole treatment  

SciTech Connect

Density functional theory (DFT)-based relativistic calculations were performed to model the Ru L-edge X-ray absorption near edge structure (XANES) spectra of the hexaammineruthenium complex [Ru(NH{sub 3}){sub 6}]{sup 3+} and 'blue dimer' water oxidation catalyst, cis,cis- [(bpy){sub 2}(H{sub 2}O)Ru{sup III}ORu{sup III}(OH{sub 2})(bpy){sub 2}]{sup 4+} (bpy is 2,2-bipyridine). Two computational approaches were compared: simulations without the core-hole and by modeling of the core-hole within the Z+1 approximation. Good agreement between calculated and experimental XANES spectra is achieved without including the core-hole. Simulations with algorithms beyond the Z+1 approximation were only possible in a framework of the scalar relativistic treatment. Time-dependent DFT (TD-DFT) was used to compute the Ru L-edge spectrum for [Ru(NH{sub 3}){sub 6}]{sup 3+} model compound. Three different core-hole treatments were compared in a real-space full multiple scattering XANES modeling within the Green function formalism (implemented in the FEFF9.5 package) for the [Ru(Mebimpy)(bpm)(H{sub 2}O)]{sup 2+} complex. The latter approaches worked well in cases where spin-orbit treatment of relativistic effects is not required.

Alperovich, Igor; Moonshiram, Dooshaye; Soldatov, Alexander; Pushkar, Yulia (SFU-Russia); (Purdue)

2012-10-09T23:59:59.000Z

480

Cavity Quantum Electrodynamics (CQED)-Based Quantum LDPC  

E-Print Network (OSTI)

Cavity Quantum Electrodynamics (CQED)-Based Quantum LDPC Encoders and Decoders Volume 3, Number 4-0655/$26.00 ©2011 IEEE #12;Cavity Quantum Electrodynamics (CQED)-Based Quantum LDPC Encoders and Decoders Ivan B: Quantum information processing (QIP) relies on delicate superposition states that are sensitive

Djordjevic, Ivan B.

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481

Quantum information and stabilization of quantum states by feedback control  

E-Print Network (OSTI)

Quantum information and stabilization of quantum states by feedback control Hans Maassen September) Karol Zyczkowski (Krakow) #12;Overview #12;Overview 1. Finite quantum systems #12;Overview 1. Finite quantum systems 2. Flow diagrams #12;Overview 1. Finite quantum systems 2. Flow diagrams 3. What

Maassen, Hans

482

The Quantum Hall Effect in Graphene  

E-Print Network (OSTI)

We investigate the quantum Hall effect in graphene. We argue that in graphene in presence of an external magnetic field there is dynamical generation of mass by a rearrangement of the Dirac sea. We show that the mechanism breaks the lattice valley degeneracy only for the $n=0$ Landau levels and leads to the new observed $\

Paolo Cea

2011-01-29T23:59:59.000Z

483

Quantum Fine-Grained Entropy  

E-Print Network (OSTI)

Regarding the strange properties of quantum entropy and entanglement, e.g., the negative quantum conditional entropy, we revisited the foundations of quantum entropy, namely, von Neumann entropy, and raised the new method of quantum fine-grained entropy. With the applications in entanglement theory, quantum information processing, and quantum thermodynamics, we demonstrated the capability of quantum fine-grained entropy to resolve some notable confusions and problems, including the measure of entanglement and quantumness, the additivity conjecture of entanglement of formation etc, and the definition of temperature for single quantum system.

Wang, Dong-Sheng

2012-01-01T23:59:59.000Z

484

Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry  

E-Print Network (OSTI)

We present a brief survey of methods that utilize computer simulations and quantum and statistical mechanics in the analysis of electrochemical systems. The methods, Molecular Dynamics and Monte Carlo simulations and quantum-mechanical density-functional theory, are illustrated with examples from simulations of lithium-battery charging and electrochemical adsorption of bromine on single-crystal silver electrodes.

P. A. Rikvold; I. Abou Hamad; T. Juwono; D. T. Robb; M. A. Novotny

2009-10-12T23:59:59.000Z

485

Generalized quantum defect methods in quantum chemistry  

E-Print Network (OSTI)

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

Altunata, Serhan

2006-01-01T23:59:59.000Z

486

Quantum transfer operators and quantum scattering  

E-Print Network (OSTI)

These notes describe a new method to investigate the spectral properties if quantum scattering Hamiltonians, developed in collaboration with J. Sj\\"ostrand and M.Zworski. This method consists in constructing a family of "quantized transfer operators" $\\{M(z,h)\\}$ associated with a classical Poincar\\'e section near some fixed classical energy E. These operators are finite dimensional, and have the structure of "open quantum maps". In the semiclassical limit, the family $\\{M(z,h)\\}$ encode the quantum dynamics near the energy E. In particular, the quantum resonances of the form $E+z$, for $z=O(h)$, are obtained as the roots of $\\det(1-M(z,h))=0$.

Stéphane Nonnenmacher

2010-01-22T23:59:59.000Z

487

Quantum Copy-Protection and Quantum Money  

E-Print Network (OSTI)

Forty years ago, Wiesner proposed using quantum states to create money that is physically impossible to counterfeit, something that cannot be done in the classical world. However, Wiesner's scheme required a central bank ...

Aaronson, Scott