The Wigner function in the relativistic quantum mechanics

Energy Technology Data Exchange (ETDEWEB)

Kowalski, K., E-mail: kowalski@uni.lodz.pl; Rembieliński, J.

2016-12-15

A detailed study is presented of the relativistic Wigner function for a quantum spinless particle evolving in time according to the Salpeter equation. - Highlights: • We study the Wigner function for a quantum spinless relativistic particle. • We discuss the relativistic Wigner function introduced by Zavialov and Malokostov. • We introduce relativistic Wigner function based on the standard definition. • We find analytic expressions for relativistic Wigner functions.

Relativistic entanglement from relativistic quantum mechanics in the rest-frame instant form of dynamics

International Nuclear Information System (INIS)

Lusanna, Luca

2011-01-01

After a review of the problems induced by the Lorentz signature of Minkowski space-time, like the need of a clock synchronization convention for the definition of 3-space and the complexity of the notion of relativistic center of mass, there is the introduction of a new formulation of relativistic quantum mechanics compatible with the theory of relativistic bound states. In it the zeroth postulate of non-relativistic quantum mechanics is not valid and the physics is described in the rest frame by a Hilbert space containing only relative variables. The non-locality of the Poincare' generators imply a kinematical non-locality and non-separability influencing the theory of relativistic entanglement and not connected with the standard quantum non-locality.

On the Velocity of Moving Relativistic Unstable Quantum Systems

Directory of Open Access Journals (Sweden)

K. Urbanowski

2015-01-01

Full Text Available We study properties of moving relativistic quantum unstable systems. We show that in contrast to the properties of classical particles and quantum stable objects the velocity of freely moving relativistic quantum unstable systems cannot be constant in time. We show that this new quantum effect results from the fundamental principles of the quantum theory and physics: it is a consequence of the principle of conservation of energy and of the fact that the mass of the quantum unstable system is not defined. This effect can affect the form of the decay law of moving relativistic quantum unstable systems.

Non-relativistic Limit of a Dirac Polaron in Relativistic Quantum Electrodynamics

CERN Document Server

Arai, A

2006-01-01

A quantum system of a Dirac particle interacting with the quantum radiation field is considered in the case where no external potentials exist. Then the total momentum of the system is conserved and the total Hamiltonian is unitarily equivalent to the direct integral $\\int_{{\\bf R}^3}^\\oplus\\overline{H({\\bf p})}d{\\bf p}$ of a family of self-adjoint operators $\\overline{H({\\bf p})}$ acting in the Hilbert space $\\oplus^4{\\cal F}_{\\rm rad}$, where ${\\cal F}_{\\rm rad}$ is the Hilbert space of the quantum radiation field. The fibre operator $\\overline{H({\\bf p})}$ is called the Hamiltonian of the Dirac polaron with total momentum ${\\bf p} \\in {\\bf R}^3$. The main result of this paper is concerned with the non-relativistic (scaling) limit of $\\overline{H({\\bf p})}$. It is proven that the non-relativistic limit of $\\overline{H({\\bf p})}$ yields a self-adjoint extension of a Hamiltonian of a polaron with spin $1/2$ in non-relativistic quantum electrodynamics.

Relativistic quantum mechanics of leptons and fields

International Nuclear Information System (INIS)

Grandy, W.T. Jr.

1991-01-01

This book serves as an advanced text on the Dirac theory, and provides a monograph summarizing the description of relativistic quantum mechanics and quantum electrodynamics as classical field theories. It presents a broad, detailed, and up-to-date exposition of relativistic quantum mechanics, including the two-body problem. It also demonstrates the extent to which the behavior of stable particles and their interactions can be understood without introducing operator (second-quantized) fields. The subsequent difficulties are studied in detail and possible resolutions are presented through quantum field theory

Point form relativistic quantum mechanics and relativistic SU(6)

Science.gov (United States)

Klink, W. H.

1993-01-01

The point form is used as a framework for formulating a relativistic quantum mechanics, with the mass operator carrying the interactions of underlying constituents. A symplectic Lie algebra of mass operators is introduced from which a relativistic harmonic oscillator mass operator is formed. Mass splittings within the degenerate harmonic oscillator levels arise from relativistically invariant spin-spin, spin-orbit, and tensor mass operators. Internal flavor (and color) symmetries are introduced which make it possible to formulate a relativistic SU(6) model of baryons (and mesons). Careful attention is paid to the permutation symmetry properties of the hadronic wave functions, which are written as polynomials in Bargmann spaces.

Relativistic quantum similarities in atoms in position and momentum spaces

International Nuclear Information System (INIS)

Maldonado, P.; Sarsa, A.; Buendia, E.; Galvez, F.J.

2011-01-01

A study of different quantum similarity measures and their corresponding quantum similarity indices is carried out for the atoms from H to Lr (Z=1-103). Relativistic effects in both position and momentum spaces have been studied by comparing the relativistic values to the non-relativistic ones. We have used the atomic electron density in both position and momentum spaces obtained within relativistic and non-relativistic numerical-parameterized optimized effective potential approximations. -- Highlights: → Quantum similarity measures and indices in electronic structure of atoms. → Position and momentum electronic densities. → Similarity of relativistic and non-relativistic densities. → Similarity of core and valence regions of different atoms. → Dependence with Z along the Periodic Table.

Consistent resolution of some relativistic quantum paradoxes

International Nuclear Information System (INIS)

Griffiths, Robert B.

2002-01-01

A relativistic version of the (consistent or decoherent) histories approach to quantum theory is developed on the basis of earlier work by Hartle, and used to discuss relativistic forms of the paradoxes of spherical wave packet collapse, Bohm's formulation of the Einstein-Podolsky-Rosen paradox, and Hardy's paradox. It is argued that wave function collapse is not needed for introducing probabilities into relativistic quantum mechanics, and in any case should never be thought of as a physical process. Alternative approaches to stochastic time dependence can be used to construct a physical picture of the measurement process that is less misleading than collapse models. In particular, one can employ a coarse-grained but fully quantum-mechanical description in which particles move along trajectories, with behavior under Lorentz transformations the same as in classical relativistic physics, and detectors are triggered by particles reaching them along such trajectories. States entangled between spacelike separate regions are also legitimate quantum descriptions, and can be consistently handled by the formalism presented here. The paradoxes in question arise because of using modes of reasoning which, while correct for classical physics, are inconsistent with the mathematical structure of quantum theory, and are resolved (or tamed) by using a proper quantum analysis. In particular, there is no need to invoke, nor any evidence for, mysterious long-range superluminal influences, and thus no incompatibility, at least from this source, between relativity theory and quantum mechanics

Stationary self-focusing of Gaussian laser beam in relativistic thermal quantum plasma

International Nuclear Information System (INIS)

Patil, S. D.; Takale, M. V.

2013-01-01

In the present paper, we have employed the quantum dielectric response in thermal quantum plasma to model relativistic self-focusing of Gaussian laser beam in a plasma. We have presented an extensive parametric investigation of the dependence of beam-width parameter on distance of propagation in relativistic thermal quantum plasma. We have studied the role of Fermi temperature in the phenomenon of self-focusing. It is found that the quantum effects cause much higher oscillations of beam-width parameter and better relativistic focusing of laser beam in thermal quantum plasma in comparison with that in the relativistic cold quantum plasma and classical relativistic plasma. Our computations show more reliable results in comparison to the previous works

Relativity, Symmetry, and the Structure of Quantum Theory, Volume 2; Point form relativistic quantum mechanics

Science.gov (United States)

Klink, William H.; Schweiger, Wolfgang

2018-03-01

This book covers relativistic quantum theory from the point of view of a particle theory, based on the irreducible representations of the Poincaré group, the group that expresses the symmetry of Einstein relativity. There are several ways of formulating such a theory; this book develops what is called relativistic point form quantum mechanics, which, unlike quantum field theory, deals with a fixed number of particles in a relativistically invariant way. A chapter is devoted to applications of point form quantum mechanics to nuclear physics.

Recent development of relativistic molecular theory

International Nuclear Information System (INIS)

Takahito, Nakajima; Kimihiko, Hirao

2005-01-01

Today it is common knowledge that relativistic effects are important in the heavy-element chemistry. The continuing development of the relativistic molecular theory is opening up rows of the periodic table that are impossible to treat with the non-relativistic approach. The most straightforward way to treat relativistic effects on heavy-element systems is to use the four-component Dirac-Hartree-Fock approach and its electron-correlation methods based on the Dirac-Coulomb(-Breit) Hamiltonian. The Dirac-Hartree-Fock (DHF) or Dirac-Kohn-Sham (DKS) equation with the four-component spinors composed of the large- and small-components demands severe computational efforts to solve, and its applications to molecules including heavy elements have been limited to small- to medium-size systems. Recently, we have developed a very efficient algorithm for the four-component DHF and DKS approaches. As an alternative approach, several quasi-relativistic approximations have also been proposed instead of explicitly solving the four-component relativistic equation. We have developed the relativistic elimination of small components (RESC) and higher-order Douglas-Kroll (DK) Hamiltonians within the framework of the two-component quasi-relativistic approach. The developing four-component relativistic and approximate quasi-relativistic methods have been implemented into a program suite named REL4D. In this article, we will introduce the efficient relativistic molecular theories to treat heavy-atomic molecular systems accurately via the four-component relativistic and the two-component quasi-relativistic approaches. We will also show several chemical applications including heavy-element systems with our relativistic molecular approaches. (author)

Lectures on relativistic quantum mechanics and path integration

International Nuclear Information System (INIS)

Gunn, J.M.F.

1989-02-01

The question posed is why bother with relativistic quantum mechanics? Three reasons are given: First that there are many experimental phenomena which cannot be explained in non-relativistic terms. Secondly it would be unsatisfactory if relativity and quantum mechanics could not be united. Thirdly, there are theoretical reasons why new effects can be expected at relativistic velocities. The objectives of the course are to set up relativistic analogues of the Schroedinger equation and to understand their consequences. In doing so there are some questions which are raised and discussed such as can a first order equation be used to describe spin 0 particles and a second order equation be used to describe spin 1/ 2 (author)

Polarizabilities of Ba and Ba2: Comparison of molecular beam experiments with relativistic quantum chemistry

International Nuclear Information System (INIS)

Schaefer, Sascha; Mehring, Max; Schaefer, Rolf; Schwerdtfeger, Peter

2007-01-01

The dielectric response to an inhomogeneous electric field has been investigated for Ba and Ba 2 within a molecular beam experiment. The ratio of the polarizabilities per atom of Ba 2 and Ba is determined to be 1.30±0.13. The experimental result is compared to a high level ab initio quantum chemical coupled cluster calculation with an energy-consistent scalar relativistic small-core pseudopotential for Ba. For the barium atom a polarizability of 40.82 A 3 is obtained and the isotropic value of the polarizability calculated for Ba 2 is 97.88 A 3 , which is in good agreement with the experimental results, demonstrating that a quantitative understanding of the interaction between two closed-shell heavy element metal atoms has been achieved

A relativistic theory for continuous measurement of quantum fields

International Nuclear Information System (INIS)

Diosi, L.

1990-04-01

A formal theory for the continuous measurement of relativistic quantum fields is proposed. The corresponding scattering equations were derived. The proposed formalism reduces to known equations in the Markovian case. Two recent models for spontaneous quantum state reduction have been recovered in the framework of this theory. A possible example of the relativistic continuous measurement has been outlined in standard Quantum Electrodynamics. The continuous measurement theory possesses an alternative formulation in terms of interacting quantum and stochastic fields. (author) 23 refs

How one can construct a consistent relativistic quantum mechanics on the base of a relativistic wave equation

Energy Technology Data Exchange (ETDEWEB)

Gavrilov, S.P. [Universidade Federal de Sergipe (UFS), Aracaju, SE (Brazil); Gitman, D.M. [Sao Paulo Univ. (USP), SP (Brazil). Inst. de Fisica

2000-07-01

Full text follows: There is a common opinion that the construction of a consistent relativistic quantum mechanics on the base of a relativistic wave equation meets well-known difficulties related to the existence of infinite number of negative energy levels, to the existence of negative vector norms, and so on, which may be only solved in a second-quantized theory, see, for example, two basic papers devoted to the problem L.Foldy, S.Wouthuysen, Phys. Rep.78 (1950) 29; H.Feshbach, F.Villars, Rev. Mod. Phys. 30 (1958) 24, whose arguments are repeated in all handbooks in relativistic quantum theory. Even Dirac trying to solve the problem had turned last years to infinite-component relativistic wave equations, see P.A.M. Dirac, Proc. R. Soc. London, A328 (1972) 1. We believe that a consistent relativistic quantum mechanics may be constructed on the base of an extended (charge symmetric) equation, which unite both a relativistic wave equation for a particle and for an antiparticle. We present explicitly the corresponding construction, see for details hep-th/0003112. We support such a construction by two demonstrations: first, in course of a careful canonical quantization of the corresponding classical action of a relativistic particle we arrive just to such a consistent quantum mechanics; second, we demonstrate that a reduction of the QFT of a corresponding field (scalar, spinor, etc.) to one-particle sector, if such a reduction may be done, present namely this quantum mechanics. (author)

Quadratic algebra approach to relativistic quantum Smorodinsky-Winternitz systems

International Nuclear Information System (INIS)

Marquette, Ian

2011-01-01

There exists a relation between the Klein-Gordon and the Dirac equations with scalar and vector potentials of equal magnitude and the Schroedinger equation. We obtain the relativistic energy spectrum for the four relativistic quantum Smorodinsky-Winternitz systems from their quasi-Hamiltonian and the quadratic algebras studied by Daskaloyannis in the nonrelativistic context. We also apply the quadratic algebra approach directly to the initial Dirac equation for these four systems and show that the quadratic algebras obtained are the same than those obtained from the quasi-Hamiltonians. We point out how results obtained in context of quantum superintegrable systems and their polynomial algebras can be applied to the quantum relativistic case.

Non-Hermitian interaction representation and its use in relativistic quantum mechanics

Czech Academy of Sciences Publication Activity Database

Znojil, Miloslav

2017-01-01

Roč. 385, č. 10 (2017), s. 162-179 ISSN 0003-4916 R&D Projects: GA ČR GA16-22945S Institutional support: RVO:61389005 Keywords : unitary quantum systems * non-Hermitian version of Dirac's interaction picture * complete set of time-evolution equations * application in relativistic quantum mechanics * Klein-Gordon example with space-time-dependent mass Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics ( physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 2.465, year: 2016

Localization and Entanglement in Relativistic Quantum Physics

Science.gov (United States)

Yngvason, Jakob

These notes are a slightly expanded version of a lecture presented in February 2012 at the workshop "The Message of Quantum Science—Attempts Towards a Synthesis" held at the ZIF in Bielefeld. The participants were physicists with a wide range of different expertise and interests. The lecture was intended as a survey of a small selection of the insights into the structure of relativistic quantum physics that have accumulated through the efforts of many people over more than 50 years. (Including, among many others, R. Haag, H. Araki, D. Kastler, H.-J. Borchers, A. Wightman, R. Streater, B. Schroer, H. Reeh, S. Schlieder, S. Doplicher, J. Roberts, R. Jost, K. Hepp, J. Fröhlich, J. Glimm, A. Jaffe, J. Bisognano, E. Wichmann, D. Buchholz, K. Fredenhagen, R. Longo, D. Guido, R. Brunetti, J. Mund, S. Summers, R. Werner, H. Narnhofer, R. Verch, G. Lechner, ….) This contribution discusses some facts about relativistic quantum physics, most of which are quite familiar to practitioners of Algebraic Quantum Field Theory (AQFT) [Also known as Local Quantum Physics (Haag, Local quantum physics. Springer, Berlin, 1992).] but less well known outside this community. No claim of originality is made; the goal of this contribution is merely to present these facts in a simple and concise manner, focusing on the following issues: Explaining how quantum mechanics (QM) combined with (special) relativity, in particular an upper bound on the propagation velocity of effects, leads naturally to systems with an infinite number of degrees of freedom (relativistic quantum fields).

Run-away electrons in relativistic spin (1) /(2) quantum electrodynamics

International Nuclear Information System (INIS)

Low, F.E.

1998-01-01

The existence of run-away solutions in classical and non-relativistic quantum electrodynamics is reviewed. It is shown that the less singular high energy behavior of relativistic spin (1) /(2) quantum electrodynamics precludes an analogous behavior in that theory. However, a Landau-like anomalous pole in the photon propagation function or in the electron-massive photon forward scattering amplitude would generate a new run-away, characterized by an energy scale ω∼m e thinspexp(1/α). This contrasts with the energy scale ω∼m e /α associated with the classical and non-relativistic quantum run-aways. copyright 1998 Academic Press, Inc

Observer dependence of quantum states in relativistic quantum field theories

International Nuclear Information System (INIS)

Malin, S.

1982-01-01

Quantum states can be understood as either (i) describing quantum systems or (ii) representing observers' knowledge about quantum systems. These different meanings are shown to imply different transformation properties in relativistic field theories. The rules for the reduction of quantum states and the transformation properties of quantum states under Lorentz transformations are derived for case (ii). The results obtained are applied to a quantum system recently presented and analyzed by Aharonov and Albert. It is shown that the present results, combined with Aharonov and Albert's, amount to a proof of Bohr's view that quantum states represent observers' knowledge about quantum systems

Relativistic quantum mechanics and introduction to field theory

Energy Technology Data Exchange (ETDEWEB)

Yndurain, F.J. [Universidad Autonoma de Madrid (Spain). Dept. de Fisica Teorica

1996-12-01

The following topics were dealt with: relativistic transformations, the Lorentz group, Klein-Gordon equation, spinless particles, spin 1/2 particles, Dirac particle in a potential, massive spin 1 particles, massless spin 1 particles, relativistic collisions, S matrix, cross sections, decay rates, partial wave analysis, electromagnetic field quantization, interaction of radiation with matter, interactions in quantum field theory and relativistic interactions with classical sources.

Relativistic quantum mechanics and introduction to field theory

International Nuclear Information System (INIS)

Yndurain, F.J.

1996-01-01

The following topics were dealt with: relativistic transformations, the Lorentz group, Klein-Gordon equation, spinless particles, spin 1/2 particles, Dirac particle in a potential, massive spin 1 particles, massless spin 1 particles, relativistic collisions, S matrix, cross sections, decay rates, partial wave analysis, electromagnetic field quantization, interaction of radiation with matter, interactions in quantum field theory and relativistic interactions with classical sources

Analysis of the EPR-experiment by relativistic quantum logic

International Nuclear Information System (INIS)

Mittelstaedt, P.

1984-01-01

The Einstein-Podolsky-Rosen-experiment is analysed in the framework of an abstract language for relativistic quantum physics, which can be founded on the most general possibilities of physical observations and without any recourse to the Hilbert-space formulation of relativistic quantum theory. -Within this approach one obtains nonlocal correlations between the two EPR-systems in accordance with recent experiments and with quantum theory. These correlations can, however, not be used in order to produce superluminal signals and thus to violate Einstein-causality and special relativity. (author)

Relativistic supersymmetric quantum mechanics based on Klein-Gordon equation

International Nuclear Information System (INIS)

Znojil, Miloslav

2004-01-01

Witten's the non-relativistic formalism of supersymmetric quantum mechanics was based on a factorization and partnership between Schroedinger equations. We show how it accommodates a transition to the partnership between relativistic Klein-Gordon equations

Diffeomorphism Group Representations in Relativistic Quantum Field Theory

Energy Technology Data Exchange (ETDEWEB)

Goldin, Gerald A. [Rutgers Univ., Piscataway, NJ (United States); Sharp, David H. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-12-20

We explore the role played by the di eomorphism group and its unitary representations in relativistic quantum eld theory. From the quantum kinematics of particles described by representations of the di eomorphism group of a space-like surface in an inertial reference frame, we reconstruct the local relativistic neutral scalar eld in the Fock representation. An explicit expression for the free Hamiltonian is obtained in terms of the Lie algebra generators (mass and momentum densities). We suggest that this approach can be generalized to elds whose quanta are spatially extended objects.

Time Operator in Relativistic Quantum Mechanics

Science.gov (United States)

Khorasani, Sina

2017-07-01

It is first shown that the Dirac’s equation in a relativistic frame could be modified to allow discrete time, in agreement to a recently published upper bound. Next, an exact self-adjoint 4 × 4 relativistic time operator for spin-1/2 particles is found and the time eigenstates for the non-relativistic case are obtained and discussed. Results confirm the quantum mechanical speculation that particles can indeed occupy negative energy levels with vanishingly small but non-zero probablity, contrary to the general expectation from classical physics. Hence, Wolfgang Pauli’s objection regarding the existence of a self-adjoint time operator is fully resolved. It is shown that using the time operator, a bosonic field referred here to as energons may be created, whose number state representations in non-relativistic momentum space can be explicitly found.

Relativistic classical limit of quantum theory

International Nuclear Information System (INIS)

Shin, G.R.; Rafelski, J.

1993-01-01

We study the classical limit of the equal-time relativistic quantum transport theory. We discuss in qualitative terms the need to fold first the Wigner function with a coarse-graining function. Only then does the singularity at ℎ→0 seem to be manageable. In the limit ℎ→0, we obtain the relativistic Vlasov equations for the particle and the antiparticle sector of the Fock space. Similarly, we address the evolution equations of the spin and the magnetic-moment density

Relativistic quantum vorticity of the quadratic form of the Dirac equation

International Nuclear Information System (INIS)

Asenjo, Felipe A; Mahajan, Swadesh M

2015-01-01

We explore the fluid version of the quadratic form of the Dirac equation, sometimes called the Feynman–Gell-Mann equation. The dynamics of the quantum spinor field is represented by equations of motion for the fluid density, the velocity field, and the spin field. In analogy with classical relativistic and non-relativistic quantum theories, the fully relativistic fluid formulation of this equation allows a vortex dynamics. The vortical form is described by a total tensor field that is the weighted combination of the inertial, electromagnetic and quantum forces. The dynamics contrives the quadratic form of the Dirac equation as a total vorticity free system. (paper)

Characterization of particle states in relativistic classical quantum theory

International Nuclear Information System (INIS)

Horwitz, L.P.; Rabin, Y.

1977-02-01

Classical and quantum relativistic mechanics are studied. The notion of a ''particle'' is defined in the classical case and the interpretation of mechanics in space-time is clarified. These notions are carried over to the quantum theory, as much as possible. The relation between the results of Feyman's path integral approach and the theory of Horwitz and Piron is discussed. The ''particle'' interpretation is shown to imply an asymptotic condition for scattering. A general method of constructing the dynamical mass spectrum of composite ''particle'' states is discussed. An interference experiment is proposed to affirm the interpretation and applicability of Stueckelberg type wave functions for actual physical phenomena. Some discussion of the relation of this relativistic quantum theory to Feynman's approach to quantum field theory is also given

Relativistic nuclear physics and quantum chromodynamics. Abstracts

International Nuclear Information System (INIS)

1994-01-01

The data of investigations on problems of high energy physics are given. Special attention pays to quantum chromodynamics at large distances, cumulative processes, multiquark states and relativistic nuclear collisions

Quantum ion-acoustic solitary waves in weak relativistic plasma

Indian Academy of Sciences (India)

Abstract. Small amplitude quantum ion-acoustic solitary waves are studied in an unmagnetized two- species relativistic quantum plasma system, comprised of electrons and ions. The one-dimensional quantum hydrodynamic model (QHD) is used to obtain a deformed Korteweg–de Vries (dKdV) equation by reductive ...

Two point function for a simple general relativistic quantum model

OpenAIRE

Colosi, Daniele

2007-01-01

We study the quantum theory of a simple general relativistic quantum model of two coupled harmonic oscillators and compute the two-point function following a proposal first introduced in the context of loop quantum gravity.

Relativistic quantum information in detectors–field interactions

International Nuclear Information System (INIS)

Hu, B L; Lin, Shih-Yuin; Louko, Jorma

2012-01-01

We review Unruh–DeWitt detectors and other models of detector–field interaction in a relativistic quantum field theory setting as a tool for extracting detector–detector, field–field and detector–field correlation functions of interest in quantum information science, from entanglement dynamics to quantum teleportation. In particular, we highlight the contrast between the results obtained from linear perturbation theory which can be justified provided switching effects are properly accounted for, and the nonperturbative effects from available analytic expressions which incorporate the backreaction effects of the quantum field on the detector behavior. (paper)

Relativistic quantum Darwinism in Dirac fermion and graphene systems

Science.gov (United States)

Ni, Xuan; Huang, Liang; Lai, Ying-Cheng; Pecora, Louis

2012-02-01

We solve the Dirac equation in two spatial dimensions in the setting of resonant tunneling, where the system consists of two symmetric cavities connected by a finite potential barrier. The shape of the cavities can be chosen to yield both regular and chaotic dynamics in the classical limit. We find that certain pointer states about classical periodic orbits can exist, which are signatures of relativistic quantum Darwinism (RQD). These localized states suppress quantum tunneling, and the effect becomes less severe as the underlying classical dynamics in the cavity is chaotic, leading to regularization of quantum tunneling. Qualitatively similar phenomena have been observed in graphene. A physical theory is developed to explain relativistic quantum Darwinism and its effects based on the spectrum of complex eigenenergies of the non-Hermitian Hamiltonian describing the open cavity system.

Dirac's aether in relativistic quantum mechanics

International Nuclear Information System (INIS)

Petroni, N.C.; Bari Univ.; Vigier, J.P.

1984-01-01

The paper concerns Dirac's aether model, based on a stochastic covariant distribution of subquantum motions. Stochastic derivation of the relativistic quantum equations; deterministic nonlocal interpretation of the Aspect-Rapisarda experiments on the EPR paradox; and photon interference with itself; are all discussed. (U.K.)

Impact of Relativistic Electron Beam on Hole Acoustic Instability in Quantum Semiconductor Plasmas

Science.gov (United States)

Siddique, M.; Jamil, M.; Rasheed, A.; Areeb, F.; Javed, Asif; Sumera, P.

2018-01-01

We studied the influence of the classical relativistic beam of electrons on the hole acoustic wave (HAW) instability exciting in the semiconductor quantum plasmas. We conducted this study by using the quantum-hydrodynamic model of dense plasmas, incorporating the quantum effects of semiconductor plasma species which include degeneracy pressure, exchange-correlation potential and Bohm potential. Analysis of the quantum characteristics of semiconductor plasma species along with relativistic effect of beam electrons on the dispersion relation of the HAW is given in detail qualitatively and quantitatively by plotting them numerically. It is worth mentioning that the relativistic electron beam (REB) stabilises the HAWs exciting in semiconductor (GaAs) degenerate plasma.

Axioms for quantum mechanics: relativistic causality, retrocausality, and the existence of a classical limit

Science.gov (United States)

Rohrlich, Daniel

Y. Aharonov and A. Shimony both conjectured that two axioms - relativistic causality (``no superluminal signalling'') and nonlocality - so nearly contradict each other that only quantum mechanics reconciles them. Can we indeed derive quantum mechanics, at least in part, from these two axioms? No: ``PR-box'' correlations show that quantum correlations are not the most nonlocal correlations consistent with relativistic causality. Here we replace ``nonlocality'' with ``retrocausality'' and supplement the axioms of relativistic causality and retrocausality with a natural and minimal third axiom: the existence of a classical limit, in which macroscopic observables commute. That is, just as quantum mechanics has a classical limit, so must any generalization of quantum mechanics. In this limit, PR-box correlations violaterelativistic causality. Generalized to all stronger-than-quantum bipartite correlations, this result is a derivation of Tsirelson's bound (a theorem of quantum mechanics) from the three axioms of relativistic causality, retrocausality and the existence of a classical limit. Although the derivation does not assume quantum mechanics, it points to the Hilbert space structure that underlies quantum correlations. I thank the John Templeton Foundation (Project ID 43297) and the Israel Science Foundation (Grant No. 1190/13) for support.

A New Perspective on Relativistic Quantum Mechanics

International Nuclear Information System (INIS)

Kong, Otto C W

2011-01-01

Based on a linear realization formulation of a quantum relativity, - proposed relativity for 'quantum space-time', we introduce the new Poincare-Snyder relativity and Snyder relativity as relativities in between the latter and the well known Galilean and Einstein cases. While there is supposed to be not separate notion of classical and quantum mechanics at the level of the very unconventional quantum relativity, the Poincare-Snyder relativity is more like a mathematically extended form of Einstein relativity on which we can write down a formal canonical classical and quantum mechanics. We discuss how the Poincare-Snyder relativity may provide a stronger framework for the description of the usual (Einstein) relativistic quantum mechanics and present a first look of the interesting picture from the new perspective.

Optimization of a relativistic quantum mechanical engine.

Science.gov (United States)

Peña, Francisco J; Ferré, Michel; Orellana, P A; Rojas, René G; Vargas, P

2016-08-01

We present an optimal analysis for a quantum mechanical engine working between two energy baths within the framework of relativistic quantum mechanics, adopting a first-order correction. This quantum mechanical engine, with the direct energy leakage between the energy baths, consists of two adiabatic and two isoenergetic processes and uses a three-level system of two noninteracting fermions as its working substance. Assuming that the potential wall moves at a finite speed, we derive the expression of power output and, in particular, reproduce the expression for the efficiency at maximum power.

Theoretical study of the relativistic molecular rotational g-tensor

International Nuclear Information System (INIS)

Aucar, I. Agustín; Gomez, Sergio S.; Giribet, Claudia G.; Ruiz de Azúa, Martín C.

2014-01-01

An original formulation of the relativistic molecular rotational g-tensor valid for heavy atom containing compounds is presented. In such formulation, the relevant terms of a molecular Hamiltonian for non-relativistic nuclei and relativistic electrons in the laboratory system are considered. Terms linear and bilinear in the nuclear rotation angular momentum and an external uniform magnetic field are considered within first and second order (relativistic) perturbation theory to obtain the rotational g-tensor. Relativistic effects are further analyzed by carrying out the linear response within the elimination of the small component expansion. Quantitative results for model systems HX (X=F, Cl, Br, I), XF (X=Cl, Br, I), and YH + (Y=Ne, Ar, Kr, Xe, Rn) are obtained both at the RPA and density functional theory levels of approximation. Relativistic effects are shown to be small for this molecular property. The relation between the rotational g-tensor and susceptibility tensor which is valid in the non-relativistic theory does not hold within the relativistic framework, and differences between both molecular parameters are analyzed for the model systems under study. It is found that the non-relativistic relation remains valid within 2% even for the heavy HI, IF, and XeH + systems. Only for the sixth-row Rn atom a significant deviation of this relation is found

Theoretical study of the relativistic molecular rotational g-tensor

Energy Technology Data Exchange (ETDEWEB)

Aucar, I. Agustín, E-mail: agustin.aucar@conicet.gov.ar; Gomez, Sergio S., E-mail: ssgomez@exa.unne.edu.ar [Institute for Modeling and Technological Innovation, IMIT (CONICET-UNNE) and Faculty of Exact and Natural Sciences, Northeastern University of Argentina, Avenida Libertad 5400, W3404AAS Corrientes (Argentina); Giribet, Claudia G.; Ruiz de Azúa, Martín C. [Physics Department, Faculty of Exact and Natural Sciences, University of Buenos Aires and IFIBA CONICET, Ciudad Universitaria, Pab. I, 1428 Buenos Aires (Argentina)

2014-11-21

An original formulation of the relativistic molecular rotational g-tensor valid for heavy atom containing compounds is presented. In such formulation, the relevant terms of a molecular Hamiltonian for non-relativistic nuclei and relativistic electrons in the laboratory system are considered. Terms linear and bilinear in the nuclear rotation angular momentum and an external uniform magnetic field are considered within first and second order (relativistic) perturbation theory to obtain the rotational g-tensor. Relativistic effects are further analyzed by carrying out the linear response within the elimination of the small component expansion. Quantitative results for model systems HX (X=F, Cl, Br, I), XF (X=Cl, Br, I), and YH{sup +} (Y=Ne, Ar, Kr, Xe, Rn) are obtained both at the RPA and density functional theory levels of approximation. Relativistic effects are shown to be small for this molecular property. The relation between the rotational g-tensor and susceptibility tensor which is valid in the non-relativistic theory does not hold within the relativistic framework, and differences between both molecular parameters are analyzed for the model systems under study. It is found that the non-relativistic relation remains valid within 2% even for the heavy HI, IF, and XeH{sup +} systems. Only for the sixth-row Rn atom a significant deviation of this relation is found.

A signed particle formulation of non-relativistic quantum mechanics

Energy Technology Data Exchange (ETDEWEB)

Sellier, Jean Michel, E-mail: jeanmichel.sellier@parallel.bas.bg

2015-09-15

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

Quadratic hamiltonians and relativistic quantum mechanics

International Nuclear Information System (INIS)

Razumov, A.V.; Solov'ev, V.O.; Taranov, A.Yu.

1981-01-01

For the case of a charged scalar field described by a quadratic hamiltonian the equivalent relativistic quantum mechanics is constructed in one-particle sector. Complete investigation of a charged relativistic particle motion in the Coulomb field is carried out. Subcritical as well as supercritical cases are considered. In the course of investigation of the charged scalar particle in the Coulomb field the diagonalization of the quadratic hamiltonian describing the charged scalar quantized field interaction with the external Coulomb field has taken place. Mathematically this problem is bound to the construction of self-conjugated expansions of the symmetric operator. The construction of such expansion is necessary at any small external field magnitude [ru

Chaos in Dirac Electron Optics: Emergence of a Relativistic Quantum Chimera.

Science.gov (United States)

Xu, Hong-Ya; Wang, Guang-Lei; Huang, Liang; Lai, Ying-Cheng

2018-03-23

We uncover a remarkable quantum scattering phenomenon in two-dimensional Dirac material systems where the manifestations of both classically integrable and chaotic dynamics emerge simultaneously and are electrically controllable. The distinct relativistic quantum fingerprints associated with different electron spin states are due to a physical mechanism analogous to a chiroptical effect in the presence of degeneracy breaking. The phenomenon mimics a chimera state in classical complex dynamical systems but here in a relativistic quantum setting-henceforth the term "Dirac quantum chimera," associated with which are physical phenomena with potentially significant applications such as enhancement of spin polarization, unusual coexisting quasibound states for distinct spin configurations, and spin selective caustics. Experimental observations of these phenomena are possible through, e.g., optical realizations of ballistic Dirac fermion systems.

Chaos in Dirac Electron Optics: Emergence of a Relativistic Quantum Chimera

Science.gov (United States)

Xu, Hong-Ya; Wang, Guang-Lei; Huang, Liang; Lai, Ying-Cheng

2018-03-01

We uncover a remarkable quantum scattering phenomenon in two-dimensional Dirac material systems where the manifestations of both classically integrable and chaotic dynamics emerge simultaneously and are electrically controllable. The distinct relativistic quantum fingerprints associated with different electron spin states are due to a physical mechanism analogous to a chiroptical effect in the presence of degeneracy breaking. The phenomenon mimics a chimera state in classical complex dynamical systems but here in a relativistic quantum setting—henceforth the term "Dirac quantum chimera," associated with which are physical phenomena with potentially significant applications such as enhancement of spin polarization, unusual coexisting quasibound states for distinct spin configurations, and spin selective caustics. Experimental observations of these phenomena are possible through, e.g., optical realizations of ballistic Dirac fermion systems.

Exploring the propagation of relativistic quantum wavepackets in the trajectory-based formulation

Science.gov (United States)

Tsai, Hung-Ming; Poirier, Bill

2016-03-01

In the context of nonrelativistic quantum mechanics, Gaussian wavepacket solutions of the time-dependent Schrödinger equation provide useful physical insight. This is not the case for relativistic quantum mechanics, however, for which both the Klein-Gordon and Dirac wave equations result in strange and counterintuitive wavepacket behaviors, even for free-particle Gaussians. These behaviors include zitterbewegung and other interference effects. As a potential remedy, this paper explores a new trajectory-based formulation of quantum mechanics, in which the wavefunction plays no role [Phys. Rev. X, 4, 040002 (2014)]. Quantum states are represented as ensembles of trajectories, whose mutual interaction is the source of all quantum effects observed in nature—suggesting a “many interacting worlds” interpretation. It is shown that the relativistic generalization of the trajectory-based formulation results in well-behaved free-particle Gaussian wavepacket solutions. In particular, probability density is positive and well-localized everywhere, and its spatial integral is conserved over time—in any inertial frame. Finally, the ensemble-averaged wavepacket motion is along a straight line path through spacetime. In this manner, the pathologies of the wave-based relativistic quantum theory, as applied to wavepacket propagation, are avoided.

Lorentz-covariant reduced-density-operator theory for relativistic-quantum-information processing

International Nuclear Information System (INIS)

Ahn, Doyeol; Lee, Hyuk-jae; Hwang, Sung Woo

2003-01-01

In this paper, we derived a Lorentz-covariant quantum Liouville equation for the density operator which describes the relativistic-quantum-information processing from Tomonaga-Schwinger equation and an exact formal solution for the reduced density operator is obtained using the projector operator technique and the functional calculus. When all the members of the family of the hypersurfaces become flat hyperplanes, it is shown that our results agree with those of the nonrelativistic case, which is valid only in some specified reference frame. To show that our formulation can be applied to practical problems, we derived the polarization of the vacuum in quantum electrodynamics up to the second order. The formulation presented in this work is general and could be applied to related fields such as quantum electrodynamics and relativistic statistical mechanics

Classification of quantum relativistic orientable objects

Energy Technology Data Exchange (ETDEWEB)

Gitman, D M [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318-CEP, 05315-970, Sao Paulo, SP (Brazil); Shelepin, A L, E-mail: gitman@dfn.if.usp.br, E-mail: alex@shelepin.msk.ru [Moscow Institute of Radio Engineering, Electronics and Automation, Prospect Vernadskogo, 78, 117454 Moscow (Russian Federation)

2011-01-15

Extending our previous work 'Fields on the Poincare group and quantum description of orientable objects' (Gitman and Shelepin 2009 Eur. Phys. J. C 61 111-39), we consider here a classification of orientable relativistic quantum objects in 3+1 dimensions. In such a classification, one uses a maximal set of ten commuting operators (generators of left and right transformations) in the space of functions on the Poincare group. In addition to the usual six quantum numbers related to external symmetries (given by left generators), there appear additional quantum numbers related to internal symmetries (given by right generators). Spectra of internal and external symmetry operators are interrelated, which, however, does not contradict the Coleman-Mandula no-go theorem. We believe that the proposed approach can be useful for the description of elementary spinning particles considered as orientable objects. In particular, it gives a group-theoretical interpretation of some facts of the existing phenomenological classification of spinning particles.

Classification of quantum relativistic orientable objects

International Nuclear Information System (INIS)

Gitman, D M; Shelepin, A L

2011-01-01

Extending our previous work 'Fields on the Poincare group and quantum description of orientable objects' (Gitman and Shelepin 2009 Eur. Phys. J. C 61 111-39), we consider here a classification of orientable relativistic quantum objects in 3+1 dimensions. In such a classification, one uses a maximal set of ten commuting operators (generators of left and right transformations) in the space of functions on the Poincare group. In addition to the usual six quantum numbers related to external symmetries (given by left generators), there appear additional quantum numbers related to internal symmetries (given by right generators). Spectra of internal and external symmetry operators are interrelated, which, however, does not contradict the Coleman-Mandula no-go theorem. We believe that the proposed approach can be useful for the description of elementary spinning particles considered as orientable objects. In particular, it gives a group-theoretical interpretation of some facts of the existing phenomenological classification of spinning particles.

Relativistic n-body wave equations in scalar quantum field theory

International Nuclear Information System (INIS)

Emami-Razavi, Mohsen

2006-01-01

The variational method in a reformulated Hamiltonian formalism of Quantum Field Theory (QFT) is used to derive relativistic n-body wave equations for scalar particles (bosons) interacting via a massive or massless mediating scalar field (the scalar Yukawa model). Simple Fock-space variational trial states are used to derive relativistic n-body wave equations. The equations are shown to have the Schroedinger non-relativistic limits, with Coulombic interparticle potentials in the case of a massless mediating field and Yukawa interparticle potentials in the case of a massive mediating field. Some examples of approximate ground state solutions of the n-body relativistic equations are obtained for various strengths of coupling, for both massive and massless mediating fields

Propagation of a TE surface mode in a relativistic electron beam–quantum plasma system

International Nuclear Information System (INIS)

Abdel Aziz, M.

2012-01-01

The dispersion properties of a transverse electric (TE) surface waves propagating along the interface between a magneto-quantum plasma–relativistic beam system and vacuum are studied by using the quantum hydrodynamic model. The general dispersion relations are derived and analyzed in some special cases of interest. Moreover, the effects of density gradients for the beam and plasma on the dispersion properties of surface waves are investigated. The kind of dispersion relations depends strongly on the ambient magnetic field B o via the gyro-frequency ω c , the quantum parameters, and the width of the plasma layer as well as the relativistic factor for the electron beam. It is found that the quantum effects play a crucial role to facilitate the propagation of TE surface waves. -- Highlights: ► Propagation of TE surface waves on bounded magneto-quantum plasma by relativistic beam is studied. ► The quantum plasma consists of transitional layer adjacent to uniform layer. ► Influence of quantum effects on the propagation of TE surface waves are taken into account. ► Effects of homogeneity and inhomogeneity for beam on TE surface waves are considered. ► It is found that quantum effects facilitate the propagation of TE surface modes.

Relativistic predictive quantum potential: the N-body case

International Nuclear Information System (INIS)

Garuccio, A.; Kyprianidis, A.; Vigier, J.P.

1984-01-01

It is generalized to a system of N scalar particles the casual description with action at a distance already given for two-particle systems in EPR type of experiments. The many body quantum potential is shown to satisfy the predictivity constraints established by Droz-Vincent for relativistic mechanics

The connection of two-particle relativistic quantum mechanics with the Bethe-Salpeter equation

International Nuclear Information System (INIS)

Sazdjian, H.

1986-02-01

We show the formal equivalence between the wave equations of two-particle relativistic quantum mechanics, based on the manifestly covariant hamiltonian formalism with constraints, and the Bethe-Salpeter equation. This is achieved by algebraically transforming the latter so as to separate it into two independent equations which match the equations of hamiltonian relativistic quantum mechanics. The first equation determines the relative time evolution of the system, while the second one yields a three-dimensional eigenvalue equation. A connection is thus established between the Bethe-Salpeter wave function and its kernel on the one hand and the quantum mechanical wave function and interaction potential on the other. For the sector of solutions of the Bethe-Salpeter equation having non-relativistic limits, this relationship can be evaluated in perturbation theory. We also device a generalized form of the instantaneous approximation which simplifies the various expressions involved in the above relations. It also permits the evaluation of the normalization condition of the quantum mechanical wave function as a three-dimensional integral

Solution of relativistic quantum optics problems using clusters of graphical processing units

Energy Technology Data Exchange (ETDEWEB)

Gordon, D.F., E-mail: daviel.gordon@nrl.navy.mil; Hafizi, B.; Helle, M.H.

2014-06-15

Numerical solution of relativistic quantum optics problems requires high performance computing due to the rapid oscillations in a relativistic wavefunction. Clusters of graphical processing units are used to accelerate the computation of a time dependent relativistic wavefunction in an arbitrary external potential. The stationary states in a Coulomb potential and uniform magnetic field are determined analytically and numerically, so that they can used as initial conditions in fully time dependent calculations. Relativistic energy levels in extreme magnetic fields are recovered as a means of validation. The relativistic ionization rate is computed for an ion illuminated by a laser field near the usual barrier suppression threshold, and the ionizing wavefunction is displayed.

Quantum Geometry: Relativistic energy approach to cooperative electron-nucleary-transition spectrum

Directory of Open Access Journals (Sweden)

Ольга Юрьевна Хецелиус

2014-11-01

Full Text Available An advanced relativistic energy approach is presented and applied to calculating parameters of electron-nuclear 7-transition spectra of nucleus in the atom. The intensities of the spectral satellites are defined in the relativistic version of the energy approach (S-matrix formalism, and gauge-invariant quantum-electrodynamical perturbation theory with the Dirac-Kohn-Sham density-functional zeroth approximation.

Quantum theoretical physics is statistical and relativistic

International Nuclear Information System (INIS)

Harding, C.

1980-01-01

A new theoretical framework for the quantum mechanism is presented. It is based on a strict deterministic behavior of single systems. The conventional QM equation, however, is found to describe statistical results of many classical systems. It will be seen, moreover, that a rigorous synthesis of our theory requires relativistic kinematics. So, QM is not only a classical statistical theory, it is, of necessity, a relativistic theory. The equation of the theory does not just duplicate QM, it indicates an inherent nonlinearity in QM which is subject to experimental verification. It is shown, therefore, that conventional QM is a corollary of classical deterministic principles. It is suggested that this concept of nature conflicts with that prevalent in modern physics. (author)

Weyl consistency conditions in non-relativistic quantum field theory

Energy Technology Data Exchange (ETDEWEB)

Pal, Sridip; Grinstein, Benjamín [Department of Physics, University of California,San Diego, 9500 Gilman Drive, La Jolla, CA 92093 (United States)

2016-12-05

Weyl consistency conditions have been used in unitary relativistic quantum field theory to impose constraints on the renormalization group flow of certain quantities. We classify the Weyl anomalies and their renormalization scheme ambiguities for generic non-relativistic theories in 2+1 dimensions with anisotropic scaling exponent z=2; the extension to other values of z are discussed as well. We give the consistency conditions among these anomalies. As an application we find several candidates for a C-theorem. We comment on possible candidates for a C-theorem in higher dimensions.

Multiple-event probability in general-relativistic quantum mechanics

International Nuclear Information System (INIS)

Hellmann, Frank; Mondragon, Mauricio; Perez, Alejandro; Rovelli, Carlo

2007-01-01

We discuss the definition of quantum probability in the context of 'timeless' general-relativistic quantum mechanics. In particular, we study the probability of sequences of events, or multievent probability. In conventional quantum mechanics this can be obtained by means of the 'wave function collapse' algorithm. We first point out certain difficulties of some natural definitions of multievent probability, including the conditional probability widely considered in the literature. We then observe that multievent probability can be reduced to single-event probability, by taking into account the quantum nature of the measuring apparatus. In fact, by exploiting the von-Neumann freedom of moving the quantum/classical boundary, one can always trade a sequence of noncommuting quantum measurements at different times, with an ensemble of simultaneous commuting measurements on the joint system+apparatus system. This observation permits a formulation of quantum theory based only on single-event probability, where the results of the wave function collapse algorithm can nevertheless be recovered. The discussion also bears on the nature of the quantum collapse

Electronic structure of molecules using relativistic effective core potentials

International Nuclear Information System (INIS)

Hay, P.J.

1981-01-01

Starting with one-component Cowan-Griffin relativistic Hartree-Fock orbitals, which successfully incorporate the mass-velocity and Darwin terms present in more complicated wavefunctions such as Dirac-Hartree-Fock, one can derive relativistic effective core potentials (RECP's) to carry out molecular calculations. These potentials implicitly include the dominant relativistic terms for molecules while allowing one to use the traditional quantum chemical techniques for studying the electronic structure of molecules. The effects of spin-orbit coupling can then be included using orbitals from such calculations using an effective 1-electron, 1-center spin-orbit operator. Applications to molecular systems involving heavy atoms, show good agreement with available spectroscopic data on molecular geometries and excitation energies

Classical particle limit of non-relativistic quantum mechanics

International Nuclear Information System (INIS)

Zucchini, R.

1984-01-01

We study the classical particle limit of non-relativistic quantum mechanics. We show that the unitary group describing the evolution of the quantum fluctuation around any classical phase orbit has a classical limit as h → 0 in the strong operator topology for a very large class of time independent scalar and vector potentials, which in practice covers all physically interesting cases. We also show that the mean values of the quantum mechanical position and velocity operators on suitable states, obtained by time evolution of the product of a Weyl operator centred around the large coordinates and momenta and a fixed n-independent wave function, converge to the solution of the classical equations with initial data as h → 0 for a broad class of repulsive interactions

Some Mathematical Structures Including Simplified Non-Relativistic Quantum Teleportation Equations and Special Relativity

International Nuclear Information System (INIS)

Woesler, Richard

2007-01-01

The computations of the present text with non-relativistic quantum teleportation equations and special relativity are totally speculative, physically correct computations can be done using quantum field theory, which remain to be done in future. Proposals for what might be called statistical time loop experiments with, e.g., photon polarization states are described when assuming the simplified non-relativistic quantum teleportation equations and special relativity. However, a closed time loop would usually not occur due to phase incompatibilities of the quantum states. Histories with such phase incompatibilities are called inconsistent ones in the present text, and it is assumed that only consistent histories would occur. This is called an exclusion principle for inconsistent histories, and it would yield that probabilities for certain measurement results change. Extended multiple parallel experiments are proposed to use this statistically for transmission of classical information over distances, and regarding time. Experiments might be testable in near future. However, first a deeper analysis, including quantum field theory, remains to be done in future

Causal localizations in relativistic quantum mechanics

Science.gov (United States)

Castrigiano, Domenico P. L.; Leiseifer, Andreas D.

2015-07-01

Causal localizations describe the position of quantum systems moving not faster than light. They are constructed for the systems with finite spinor dimension. At the center of interest are the massive relativistic systems. For every positive mass, there is the sequence of Dirac tensor-localizations, which provides a complete set of inequivalent irreducible causal localizations. They obey the principle of special relativity and are fully Poincaré covariant. The boosters are determined by the causal position operator and the other Poincaré generators. The localization with minimal spinor dimension is the Dirac localization. Thus, the Dirac equation is derived here as a mere consequence of the principle of causality. Moreover, the higher tensor-localizations, not known so far, follow from Dirac's localization by a simple construction. The probability of localization for positive energy states results to be described by causal positive operator valued (PO-) localizations, which are the traces of the causal localizations on the subspaces of positive energy. These causal Poincaré covariant PO-localizations for every irreducible massive relativistic system were, all the more, not known before. They are shown to be separated. Hence, the positive energy systems can be localized within every open region by a suitable preparation as accurately as desired. Finally, the attempt is made to provide an interpretation of the PO-localization operators within the frame of conventional quantum mechanics attributing an important role to the negative energy states.

The microcanonical ensemble of the ideal relativistic quantum gas with angular momentum conservation

International Nuclear Information System (INIS)

Becattini, F.; Ferroni, L.

2007-01-01

We derive the microcanonical partition function of the ideal relativistic quantum gas with fixed intrinsic angular momentum as an expansion over fixed multiplicities. We developed a group theoretical approach by generalizing known projection techniques to the Poincare group. Our calculation is carried out in a quantum field framework and applies to particles with any spin. It extends known results in the literature in that it does not introduce any large volume approximation, and it takes particle spin fully into account. We provide expressions of the microcanonical partition function at fixed multiplicities in the limiting classical case of large volumes and large angular momenta and in the grand-canonical ensemble. We also derive the microcanonical partition function of the ideal relativistic quantum gas with fixed parity. (orig.)

Stability of nuclei in peripheral collisions in the JAERI quantum molecular dynamics model

International Nuclear Information System (INIS)

Mancusi, Davide; Niita, Koji; Maruyama, Tomoyuki; Sihver, Lembit

2009-01-01

The JAERI quantum molecular dynamics (JQMD) model has been successfully used for a long time now to describe many different aspects of nuclear reactions in a unified way. In some cases, however, the JQMD model cannot produce consistent results: First, it lacks a fully relativistically covariant approach to the problem of molecular dynamics; second, the quantum-mechanical ground state of nuclei cannot be faithfully reproduced in a semiclassical framework. Therefore, we introduce R-JQMD, an improved version of JQMD that also features a new ground-state initialization algorithm for nuclei. We compare the structure of the two codes and discuss whether R-JQMD can be adjusted to improve JQMD's agreement with measured heavy-ion fragmentation cross sections

Relativistic rotators: a quantum mechanical de Sitter bundle

International Nuclear Information System (INIS)

Boehm, A.

1976-02-01

If de Sitter fiber bundle over space time is the classical picture of hadrons then for a quantum mechanical description one has to generalize the concept of a principal fiber bundle to a bundle that contains the representation of the group of motion. This idea is related to the relativistic rotator model, and the radius of the de Sitter fiber is determined from the experimental hadron spectrum

Dirac particle in a box, and relativistic quantum Zeno dynamics

International Nuclear Information System (INIS)

Menon, Govind; Belyi, Sergey

2004-01-01

After developing a complete set of eigenfunctions for a Dirac particle restricted to a box, the quantum Zeno dynamics of a relativistic system is considered. The evolution of a continuously observed quantum mechanical system is governed by the theorem put forth by Misra and Sudarshan. One of the conditions for quantum Zeno dynamics to be manifest is that the Hamiltonian is semi-bounded. This Letter analyzes the effects of continuous observation of a particle whose time evolution is generated by the Dirac Hamiltonian. The theorem by Misra and Sudarshan is not applicable here since the Dirac operator is not semi-bounded

Chaos in Dirac electron optics: Emergence of a relativistic quantum chimera

OpenAIRE

Xu, Hong-Ya; Wang, Guang-Lei; Huang, Liang; Lai, Ying-Cheng

2018-01-01

We uncover a remarkable quantum scattering phenomenon in two-dimensional Dirac material systems where the manifestations of both classically integrable and chaotic dynamics emerge simultaneously and are electrically controllable. The distinct relativistic quantum fingerprints associated with different electron spin states are due to a physical mechanism analogous to chiroptical effect in the presence of degeneracy breaking. The phenomenon mimics a chimera state in classical complex dynamical ...

Local U(2,2) Symmetry in Relativistic Quantum Mechanics

OpenAIRE

Finster, Felix

1997-01-01

Local gauge freedom in relativistic quantum mechanics is derived from a measurement principle for space and time. For the Dirac equation, one obtains local U(2,2) gauge transformations acting on the spinor index of the wave functions. This local U(2,2) symmetry allows a unified description of electrodynamics and general relativity as a classical gauge theory.

Local U(2,2) symmetry in relativistic quantum mechanics

Science.gov (United States)

Finster, Felix

1998-12-01

Local gauge freedom in relativistic quantum mechanics is derived from a measurement principle for space and time. For the Dirac equation, one obtains local U(2,2) gauge transformations acting on the spinor index of the wave functions. This local U(2,2) symmetry allows a unified description of electrodynamics and general relativity as a classical gauge theory.

Introduction to the renormalization group study in relativistic quantum field theory

International Nuclear Information System (INIS)

Mignaco, J.A.; Roditi, I.

1985-01-01

An introduction to the renormalization group approach in relativistic quantum field theories is presented, beginning with a little historical about the subject. Further, this problem is discussed from the point of view of the perturbation theory. (L.C.) [pt

Theoretical physics vol. 2. Quantum mechanics, relativistic quantum mechanics, quantum field theory, elementar-particle theory, thermodynamics and statistics

International Nuclear Information System (INIS)

Rebhan, E.

2005-01-01

The present second volume treats quantum mechanics, relativistic quantum mechanics, the foundations of quantum-field and elementary-particle theory as well as thermodynamics and statistics. Both volumes comprehend all fields, which are usually offered in a course about theoretical physics. In all treated fields a very careful introduction to the basic natural laws forms the starting point, whereby it is thoroughly analysed, which of them is based on empirics, which is logically deducible, and which role play basic definitions. Extendingly the matter extend of the corresponding courses starting from the relativistic quantum theory an introduction to the elementary particles is developed. All problems are very thoroughly and such extensively studied, that each step is singularly reproducible. On motivation and good understandability is cared much about. The mixing of mathematical difficulties with problems of physical nature often obstructive in the learning is so circumvented, that important mathematical methods are presented in own chapters (for instance Hilbert spaces, Lie groups). By means of many examples and problems (for a large part with solutions) the matter worked out is deepened and exercised. Developments, which are indeed important, but seem for the first approach abandonable, are pursued in excurses. This book starts from courses, which the author has held at the Heinrich-Heine university in Duesseldorf, and was in many repetitions fitted to the requirements of the students. It is conceived in such a way, that it is also after the study suited as dictionary or for the regeneration

Some connections between relativistic classical mechanics, statistical mechanics, and quantum field theory

International Nuclear Information System (INIS)

Remler, E.A.

1977-01-01

A gauge-invariant version of the Wigner representation is used to relate relativistic mechanics, statistical mechanics, and quantum field theory in the context of the electrodynamics of scalar particles. A unified formulation of quantum field theory and statistical mechanics is developed which clarifies the physics interpretation of the single-particle Wigner function. A covariant form of Ehrenfest's theorem is derived. Classical electrodynamics is derived from quantum field theory after making a random-phase approximation. The validity of this approximation is discussed

Computational derivation of quantum relativist electromagnetic systems with forward-backward space-time shifts

International Nuclear Information System (INIS)

Dubois, Daniel M.

2000-01-01

This paper is a continuation of our preceding paper dealing with computational derivation of the Klein-Gordon quantum relativist equation and the Schroedinger quantum equation with forward and backward space-time shifts. The first part introduces forward and backward derivatives for discrete and continuous systems. Generalized complex discrete and continuous derivatives are deduced. The second part deduces the Klein-Gordon equation from the space-time complex continuous derivatives. These derivatives take into account forward-backward space-time shifts related to an internal phase velocity u. The internal group velocity v is related to the speed of light u.v=c 2 and to the external group and phase velocities u.v=v g .v p . Without time shift, the Schroedinger equation is deduced, with a supplementary term, which could represent a reference potential. The third part deduces the Quantum Relativist Klein-Gordon equation for a particle in an electromagnetic field

On some solvable models in non-relativistic quantum mechanics

International Nuclear Information System (INIS)

Shabani, J.; Shayo, L.K.

1985-11-01

The theory of self-adjoint extensions is employed to generalize some previous results in non-relativistic quantum interactions. In particular, the Hamiltonian H=-Δ+V, where Δ is the Laplacian and the potential V consists of a strongly singular interaction, a Coulomb and a delta-shell interaction is studied. The spectral properties are discussed and phase shifts as well as low energy parameters are obtained. (author)

Logical inference approach to relativistic quantum mechanics: Derivation of the Klein–Gordon equation

International Nuclear Information System (INIS)

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

2016-01-01

The logical inference approach to quantum theory, proposed earlier De Raedt et al. (2014), is considered in a relativistic setting. It is shown that the Klein–Gordon equation for a massive, charged, and spinless particle derives from the combination of the requirements that the space–time data collected by probing the particle is obtained from the most robust experiment and that on average, the classical relativistic equation of motion of a particle holds. - Highlights: • Logical inference applied to relativistic, massive, charged, and spinless particle experiments leads to the Klein–Gordon equation. • The relativistic Hamilton–Jacobi is scrutinized by employing a field description for the four-velocity. • Logical inference allows analysis of experiments with uncertainty in detection events and experimental conditions.

Quantum theory of tunneling

CERN Document Server

Razavy, Mohsen

2014-01-01

In this revised and expanded edition, in addition to a comprehensible introduction to the theoretical foundations of quantum tunneling based on different methods of formulating and solving tunneling problems, different semiclassical approximations for multidimensional systems are presented. Particular attention is given to the tunneling of composite systems, with examples taken from molecular tunneling and also from nuclear reactions. The interesting and puzzling features of tunneling times are given extensive coverage, and the possibility of measurement of these times with quantum clocks are critically examined. In addition by considering the analogy between evanescent waves in waveguides and in quantum tunneling, the times related to electromagnetic wave propagation have been used to explain certain aspects of quantum tunneling times. These topics are treated in both non-relativistic as well as relativistic regimes. Finally, a large number of examples of tunneling in atomic, molecular, condensed matter and ...

Quantum relativity theory and quantum space-time

International Nuclear Information System (INIS)

Banai, M.

1984-01-01

A quantum relativity theory formulated in terms of Davis' quantum relativity principle is outlined. The first task in this theory as in classical relativity theory is to model space-time, the arena of natural processes. It is shown that the quantum space-time models of Banai introduced in another paper is formulated in terms of Davis's quantum relativity. The recently proposed classical relativistic quantum theory of Prugovecki and his corresponding classical relativistic quantum model of space-time open the way to introduce, in a consistent way, the quantum space-time model (the quantum substitute of Minkowski space) of Banai proposed in the paper mentioned. The goal of quantum mechanics of quantum relativistic particles living in this model of space-time is to predict the rest mass system properties of classically relativistic (massive) quantum particles (''elementary particles''). The main new aspect of this quantum mechanics is that it provides a true mass eigenvalue problem, and that the excited mass states of quantum relativistic particles can be interpreted as elementary particles. The question of field theory over quantum relativistic model of space-time is also discussed. Finally it is suggested that ''quarks'' should be considered as quantum relativistic particles. (author)

A finite Zitterbewegung model for relativistic quantum mechanics

International Nuclear Information System (INIS)

Noyes, H.P.

1990-01-01

Starting from steps of length h/mc and time intervals h/mc 2 , which imply a quasi-local Zitterbewegung with velocity steps ±c, we employ discrimination between bit-strings of finite length to construct a necessary 3+1 dimensional event-space for relativistic quantum mechanics. By using the combinatorial hierarchy to label the strings, we provide a successful start on constructing the coupling constants and mass ratios implied by the scheme. Agreement with experiments is surprisingly accurate. 22 refs., 1 fig

On the relativistic quantum mechanics of two interacting spinless particles

International Nuclear Information System (INIS)

Rizov, V.A.; Sazdjian, H.; Todorov, I.T.

1984-05-01

The L 2 -scalar product ∫ PHI*(x)PSI(x) d 3 x is not appropriate for the space of states describing the center-of-mass relative motion of two relativistic particles whose interaction is given by an energy dependent quasipotential. The problem already appears in the relativistic quantum mechanics of a Klein-Gordon charged particle in an external field. We extend the methods developed for that case to study a two-particle system with an energy independent scalar interaction as well as the relativistic Coulomb problem. We write down a Poincare invariant inner product for which the eigenfunctions corresponding to different energy eigenvalues are orthogonal. We also construct a perturbative expansion for bound-state energy eigenvalues corresponding to an arbitrary energy dependent (quasipotential) correction to an unperturbed Hamiltonian with a known spectrum. The description of observables and transition probabilities for eigenvalue problems with a polynomial dependence on the spectral parameter is also discussed

Experimental considerations for quantum-entanglement studies with relativistic fermions

Energy Technology Data Exchange (ETDEWEB)

Schlemme, Steffen; Peck, Marius; Enders, Joachim [TU Darmstadt (Germany); Bodek, Kazimierz; Rozpedzik, Dagmara; Zejma, Jacek [Jagiellonian University, Cracow (Poland); Caban, Pawel; Rembielinski, Jakub [University of Lodz, Lodz (Poland); Ciborowski, Jacek; Dragowski, Michal; Wlodarczyk, Marta [Warsaw University, Warsaw (Poland); Kozela, Adam [Institute of Nuclear Physics, PAS, Cracow (Poland)

2015-07-01

The QUEST (Quantum entanglement of Ultra-relativistic Electrons in Singlet and Triplet states) project is aimed at the determination of the electron spin correlation function at relativistic energies. Electron pairs are created through Moeller scattering, and polarization observables are planned to be measured in Mott scattering. The predicted spin correlation function is energy dependent with values of several per cent at energies of 10-20 MeV. The results of a first test experiment at the S-DALINAC were not sensitive enough to detect entangled and Mott-scattered electron pairs at the expected energies. Further steps are either to improve the former setup or design a new polarimeter for lower energies to improve statistics due to the higher scattering cross sections. This contribution presents general considerations, test results, and an outlook.

Influence of light absorption on relativistic self-focusing of Gaussian laser beam in cold quantum plasma

Science.gov (United States)

Patil, S. D.; Valkunde, A. T.; Vhanmore, B. D.; Urunkar, T. U.; Gavade, K. M.; Takale, M. V.

2018-05-01

When inter particle distance is comparable to the de Broglies wavelength of charged particles, quantum effects in plasmas are unavoidable. We have exploited an influence of light absorption on self-focusing of Gaussian laser beam in cold quantum plasma by considering relativistic nonlinearity. Nonlinear differential equation governing beam-width parameter has been established by using parabolic equation approach under paraxial and WKB approximations. The effect of light absorption on variation of beam-width parameter with dimensionless distance of propagation is presented graphically and discussed. It is found that light absorption plays vital role in weakening the relativistic self-focusing of laser beam during propagation in cold quantum plasma and gives reasonably interesting results.

Spacetime alternatives in the quantum mechanics of a relativistic particle

International Nuclear Information System (INIS)

Whelan, J.T.

1994-01-01

Hartle's generalized quantum mechanics formalism is used to examine spacetime coarse grainings, i.e., sets of alternatives defined with respect to a region extended in time as well as space, in the quantum mechanics of a free relativistic particle. For a simple coarse graining and suitable initial conditions, tractable formulas are found for branch wave functions. Despite the nonlocality of the positive-definite version of the Klein-Gordon inner product, which means that nonoverlapping branches are not sufficient to imply decoherence, some initial conditions are found to give decoherence and allow the consistent assignment of probabilities

Beyond the hall effect: pratical engineering from relativistic quantum field theory

International Nuclear Information System (INIS)

Srivastava, Y.

1986-01-01

The author discusses the successful microscopic relativistic quantum field theory viz., quantum electrodynamic (QED) as applied to condensed matter systems. A circuit version of the Heisenberg argument is presented to show that the electric and magnetic flux cannot be measured simultaneously if the usual position/momentum uncertainty of a charged particle confined in a circuit is to be preserved. The author suggests that the electronic transport of a microchip itself obeys some of the same field equations for QED in particular. A comparative list is presented

Quantum phase space for an ideal relativistic gas in d spatial dimensions

International Nuclear Information System (INIS)

Hayashi, M.; Vera Mendoza, H.

1992-01-01

We present the closed formula for the d-dimensional invariant phase-space integral for an ideal relativistic gas in an exact integral form. In the particular cases of the nonrelativistic and the extreme relativistic limits the phase-space integrals are calculated analytically. Then we consider the d-dimensional invariant phase space with quantum statistic and derive the cluster decomposition for the grand canonical and canonical partition functions as well as for the microcanonical and grand microcanonical densities of states. As a showcase, we consider the black-body radiation in d dimensions (Author)

A finite Zitterbewegung model for relativistic quantum mechanics

Energy Technology Data Exchange (ETDEWEB)

Noyes, H.P.

1990-02-19

Starting from steps of length h/mc and time intervals h/mc{sup 2}, which imply a quasi-local Zitterbewegung with velocity steps {plus minus}c, we employ discrimination between bit-strings of finite length to construct a necessary 3+1 dimensional event-space for relativistic quantum mechanics. By using the combinatorial hierarchy to label the strings, we provide a successful start on constructing the coupling constants and mass ratios implied by the scheme. Agreement with experiments is surprisingly accurate. 22 refs., 1 fig.

Multiple-event probability in general-relativistic quantum mechanics. II. A discrete model

International Nuclear Information System (INIS)

Mondragon, Mauricio; Perez, Alejandro; Rovelli, Carlo

2007-01-01

We introduce a simple quantum mechanical model in which time and space are discrete and periodic. These features avoid the complications related to continuous-spectrum operators and infinite-norm states. The model provides a tool for discussing the probabilistic interpretation of generally covariant quantum systems, without the confusion generated by spurious infinities. We use the model to illustrate the formalism of general-relativistic quantum mechanics, and to test the definition of multiple-event probability introduced in a companion paper [Phys. Rev. D 75, 084033 (2007)]. We consider a version of the model with unitary time evolution and a version without unitary time evolution

A quantum relativistic integrable model as the continuous limit of the six-vertex model

International Nuclear Information System (INIS)

Zhou, Y.K.

1992-01-01

The six-vertex model in two-dimensional statistical mechanics is used to construct the L-matrix of a one-dimensional quantum relativistic integrable model through a continuous limit. This is the first step to extend the method used earlier by the author to construct quantum completely integrable systems from other well-known two-dimensional vertex models. (orig.)

Foundations of a spacetime path formalism for relativistic quantum mechanics

International Nuclear Information System (INIS)

Seidewitz, Ed

2006-01-01

Quantum field theory is the traditional solution to the problems inherent in melding quantum mechanics with special relativity. However, it has also long been known that an alternative first-quantized formulation can be given for relativistic quantum mechanics, based on the parametrized paths of particles in spacetime. Because time is treated similarly to the three space coordinates, rather than as an evolution parameter, such a spacetime approach has proved particularly useful in the study of quantum gravity and cosmology. This paper shows how a spacetime path formalism can be considered to arise naturally from the fundamental principles of the Born probability rule, superposition, and Poincare invariance. The resulting formalism can be seen as a foundation for a number of previous parametrized approaches in the literature, relating, in particular, 'off-shell' theories to traditional on-shell quantum field theory. It reproduces the results of perturbative quantum field theory for free and interacting particles, but provides intriguing possibilities for a natural program for regularization and renormalization. Further, an important consequence of the formalism is that a clear probabilistic interpretation can be maintained throughout, with a natural reduction to nonrelativistic quantum mechanics

Is there a relativistic nonlinear generalization of quantum mechanics?

Energy Technology Data Exchange (ETDEWEB)

Elze, Hans-Thomas [Dipartimento di Fisica ' Enrico Fermi' , Largo Pontecorvo 3, I-56127 Pisa (Italy)

2007-05-15

Yes, there is. - A new kind of gauge theory is introduced, where the minimal coupling and corresponding covariant derivatives are defined in the space of functions pertaining to the functional Schroedinger picture of a given field theory. While, for simplicity, we study the example of a U(1) symmetry, this kind of gauge theory can accommodate other symmetries as well. We consider the resulting relativistic nonlinear extension of quantum mechanics and show that it incorporates gravity in the (0+1)-dimensional limit, where it leads to the Schroedinger-Newton equations. Gravity is encoded here into a universal nonlinear extension of quantum theory. The probabilistic interpretation, i.e. Born's rule, holds provided the underlying model has only dimensionless parameters.

Fully nonlinear heavy ion-acoustic solitary waves in astrophysical degenerate relativistic quantum plasmas

Science.gov (United States)

Sultana, S.; Schlickeiser, R.

2018-05-01

Fully nonlinear features of heavy ion-acoustic solitary waves (HIASWs) have been investigated in an astrophysical degenerate relativistic quantum plasma (ADRQP) containing relativistically degenerate electrons and non-relativistically degenerate light ion species, and non-degenerate heavy ion species. The pseudo-energy balance equation is derived from the fluid dynamical equations by adopting the well-known Sagdeev-potential approach, and the properties of arbitrary amplitude HIASWs are examined. The small amplitude limit for the propagation of HIASWs is also recovered. The basic features (width, amplitude, polarity, critical Mach number, speed, etc.) of HIASWs are found to be significantly modified by the relativistic effect of the electron species, and also by the variation of the number density of electron, light ion, and heavy ion species. The basic properties of HIASWs, that may propagated in some realistic astrophysical plasma systems (e.g., in white dwarfs), are briefly discussed.

Theory of Thomson scattering in a strong magnetic field, 2. [Relativistic quantum theory, cross sections

Energy Technology Data Exchange (ETDEWEB)

Hamada, T [Ibaraki Univ., Mito (Japan). Dept. of Physics

1975-07-01

A relativistic quantum theory is formulated for the Compton scattering by electrons in a strong magnetic field. It is shown that the relativistic quantum (Klein-Nishina) cross section in the center of drift system reduces exactly to the classical Thomson cross section in the limit h..omega../2..pi..<quantum number characterizing the energy levels of the electron in the magnetic field. There is one special case for which the Thomson cross section is valid irrespective of the magnitudes of ..omega.. and ..omega..sub(c); the forward scattering in the direction of the magnetic field by an electron in the ground state.

Study of the equations of a particle in Non- Relativistic Quantum Mechanics

International Nuclear Information System (INIS)

Miltao, Milton Souza Ribeiro; Silva, Vanessa Santos Teles da

2011-01-01

Full text: The study of group theory is relevant to the treatment of physical problems, in which concepts of invariance and symmetry are important. In the field of Non-Relativistic Quantum Mechanics, we can do algebraic considerations taking into account the principles of symmetry, considering the framework of the study of Galileo transformations, which have characteristics of group. Therefore, we discuss the Stern-Gerlach experiment that had the historical importance of demonstrating that the electron has an intrinsic angular momentum. Through discussion of this experiment, we found that the spin appears in Non-Relativistic Quantum Mechanics as a feature of the algebraic structure underlying any physical theory represented by a group. From these studies, we have algebraic considerations for physical systems in non-relativistic domain, which are described by the Schroedinger and Pauli equations, describing the dynamics of particles of spin zero and 1/2 respectively, taking into account the structure of the transformations Galileo. Due to the operatorial, we represent Galileo's transformations by matrices by choosing an appropriate basis of space-time. Using these arrays, we saw group characteristics associated with these transformations, which we call the Galileo Group. We note the invariance of the Schroedinger and Pauli equations after these changes, as well as the physical state associated with it, which is represented by a radius vector in Hilbert space. (author)

Quantum dynamics characteristic and the flow of information for an open quantum system under relativistic motion

Science.gov (United States)

Sun, Wen-Yang; Wang, Dong; Fang, Bao-Long; Ye, Liu

2018-03-01

In this letter, the dynamics characteristics of quantum entanglement (negativity) and distinguishability (trace distance), and the flow of information for an open quantum system under relativistic motion are investigated. Explicitly, we propose a scenario that a particle A held by Alice suffers from an amplitude damping (AD) noise in a flat space-time and another particle B by Bob entangled with A travels with a fixed acceleration under a non-inertial frame. The results show that quantum distinguishability and entanglement are very vulnerable and fragile under the collective influence of AD noise and Unruh effect. Both of them will decrease with the growing intensity of the Unruh effect and the AD thermal bath. It means that the abilities of quantum distinguishability and entanglement to suppress the collective decoherence (AD noise and Unruh effect) are very weak. Furthermore, it turns out that the reduced quantum distinguishability of Alice’s system and Bob in the physically accessible region is distributed to another quantum distinguishability for Alice’s environment and Bob in the physically inaccessible region. That is, the information regarding the scenario is that the lost quantum distinguishability, as a fixed information, flows from the systems to the collective decoherence environment.

On a two-pass scheme without a faraday mirror for free-space relativistic quantum cryptography

Energy Technology Data Exchange (ETDEWEB)

Kravtsov, K. S.; Radchenko, I. V. [Russian Academy of Sciences, Prokhorov General Physics Institute (Russian Federation); Korol' kov, A. V. [Academy of Cryptography (Russian Federation); Kulik, S. P., E-mail: sergei.kulik@gmail.com [Moscow State University (Russian Federation); Molotkov, S. N., E-mail: sergei.molotkov@gmail.com [Academy of Cryptography (Russian Federation)

2013-05-15

The stability of destructive interference independent of the input polarization and the state of a quantum communication channel in fiber optic systems used in quantum cryptography plays a principal role in providing the security of communicated keys. A novel optical scheme is proposed that can be used both in relativistic quantum cryptography for communicating keys in open space and for communicating them over fiber optic lines. The scheme ensures stability of destructive interference and admits simple automatic balancing of a fiber interferometer.

On a two-pass scheme without a faraday mirror for free-space relativistic quantum cryptography

International Nuclear Information System (INIS)

Kravtsov, K. S.; Radchenko, I. V.; Korol’kov, A. V.; Kulik, S. P.; Molotkov, S. N.

2013-01-01

The stability of destructive interference independent of the input polarization and the state of a quantum communication channel in fiber optic systems used in quantum cryptography plays a principal role in providing the security of communicated keys. A novel optical scheme is proposed that can be used both in relativistic quantum cryptography for communicating keys in open space and for communicating them over fiber optic lines. The scheme ensures stability of destructive interference and admits simple automatic balancing of a fiber interferometer.

Geometric back-reaction in pre-inflation from relativistic quantum geometry

Energy Technology Data Exchange (ETDEWEB)

Arcodia, Marcos R.A. [Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), Instituto de Investigaciones Fisicas de Mar del Plata (IFIMAR), Mar del Plata (Argentina); Bellini, Mauricio [Universidad Nacional de Mar del Plata, Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Mar del Plata (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), Instituto de Investigaciones Fisicas de Mar del Plata (IFIMAR), Mar del Plata (Argentina)

2016-06-15

The pre-inflationary evolution of the universe describes the beginning of the expansion from a static initial state, such that the Hubble parameter is initially zero, but increases to an asymptotic constant value, in which it could achieve a de Sitter (inflationary) expansion. The expansion is driven by a background phantom field. The back-reaction effects at this moment should describe vacuum geometrical excitations, which are studied in detail in this work using relativistic quantum geometry. (orig.)

Perfect/complete scattering experiments. Probing quantum mechanics on atomic and molecular collisions and coincidences

International Nuclear Information System (INIS)

Lohmann, Bernd; Grum-Grzhimailo, Alexei N.; Kleinpoppen, Hans

2013-01-01

Derives parameters for electrons, photons, atoms, ions, molecules calculated from theory. Delivers the quantum mechanical knowledge of atomic and molecular physics. Presents state-of-the-art experiments in atomic and molecular physics and related theoretical approaches. The main goal of this book is to elucidate what kind of experiment must be performed in order to determine the full set of independent parameters which can be extracted and calculated from theory, where electrons, photons, atoms, ions, molecules, or molecular ions may serve as the interacting constituents of matter. The feasibility of such perfect' and-or 'complete' experiments, providing the complete quantum mechanical knowledge of the process, is associated with the enormous potential of modern research techniques, both, in experiment and theory. It is even difficult to overestimate the role of theory in setting of the complete experiment, starting with the fact that an experiment can be complete only within a certain theoretical framework, and ending with the direct prescription of what, and in what conditions should be measured to make the experiment 'complete'. The language of the related theory is the language of quantum mechanical amplitudes and their relative phases. This book captures the spirit of research in the direction of the complete experiment in atomic and molecular physics, considering some of the basic quantum processes: scattering, Auger decay and photo-ionization. It includes a description of the experimental methods used to realize, step by step, the complete experiment up to the level of the amplitudes and phases. The corresponding arsenal includes, beyond determining the total cross section, the observation of angle and spin resolved quantities, photon polarization and correlation parameters, measurements applying coincidence techniques, preparing initially polarized targets, and even more sophisticated methods. The 'complete' experiment is, until today, hardly to perform

Perfect/complete scattering experiments. Probing quantum mechanics on atomic and molecular collisions and coincidences

Energy Technology Data Exchange (ETDEWEB)

Lohmann, Bernd [Muenster Univ. (Germany). Inst. fuer Theoretische Physik 1; Grum-Grzhimailo, Alexei N. [Moscow State Univ. (Russian Federation). Skobeltsyn Inst. of Nuclear Physics; Kleinpoppen, Hans

2013-07-01

Derives parameters for electrons, photons, atoms, ions, molecules calculated from theory. Delivers the quantum mechanical knowledge of atomic and molecular physics. Presents state-of-the-art experiments in atomic and molecular physics and related theoretical approaches. The main goal of this book is to elucidate what kind of experiment must be performed in order to determine the full set of independent parameters which can be extracted and calculated from theory, where electrons, photons, atoms, ions, molecules, or molecular ions may serve as the interacting constituents of matter. The feasibility of such perfect' and-or 'complete' experiments, providing the complete quantum mechanical knowledge of the process, is associated with the enormous potential of modern research techniques, both, in experiment and theory. It is even difficult to overestimate the role of theory in setting of the complete experiment, starting with the fact that an experiment can be complete only within a certain theoretical framework, and ending with the direct prescription of what, and in what conditions should be measured to make the experiment 'complete'. The language of the related theory is the language of quantum mechanical amplitudes and their relative phases. This book captures the spirit of research in the direction of the complete experiment in atomic and molecular physics, considering some of the basic quantum processes: scattering, Auger decay and photo-ionization. It includes a description of the experimental methods used to realize, step by step, the complete experiment up to the level of the amplitudes and phases. The corresponding arsenal includes, beyond determining the total cross section, the observation of angle and spin resolved quantities, photon polarization and correlation parameters, measurements applying coincidence techniques, preparing initially polarized targets, and even more sophisticated methods. The 'complete' experiment is

Relativistic-particle quantum mechanics (applications and approximations) II

International Nuclear Information System (INIS)

Coester, F.

1981-01-01

In this lecture I hope to show that relativistic-particle quantum mechanics with direct interactions is a useful tool for building models applicable to hadron systems at intermediate energies. To do this I will first describe a class of models designed to incorporate nucleon-nucleon interactions, pion production, absorption and scattering into a single dynamical framework without dressing the nucleons with pion clouds. The second major topic concerns electromagnetic interactions. In the previous lecture I specifically excluded long-rang forces and zero-mass particles. Since many of the experimental data in hadron physics involve electromagnetic interactions this limitation is a major defect which must be addressed

Quantum relativity theory

International Nuclear Information System (INIS)

Banai, M.

1983-11-01

A quantum relativity theory formulated in terms of Davis' quantum relativity principle is outlined. The first task in this theory as in classical relativity theory is to model space-time, the arena of natural processes. It is argued that the quantum space-time models of Banai introduced in an earlier paper is formulated in terms of Davis' quantum relativity. Then it is shown that the recently proposed classical relativistic quantum theory of Prugovecki and his corresponding classical relativistic quantum model of space-time open the way to introduce in a consistent way the quantum space-time model (the 'canonically quantized Minkowski space') proposed by Banai earlier. The main new aspect of the quantum mechanics of the quantum relativistic particles is, in this model of space-time, that it provides a true mass eigenvalue problem and, that the excited mass states of such particles can be interpreted as classifically relativistic (massive) quantum particles ('elementary particles'). The question of field theory over quantum relativistic models of space-time is also discussed. Finally, it is suggested that 'quarks' should be considered as quantum relativistic particles. (author)

Classical and quantum dynamics of a kicked relativistic particle in a box

Science.gov (United States)

Yusupov, J. R.; Otajanov, D. M.; Eshniyazov, V. E.; Matrasulov, D. U.

2018-03-01

We study classical and quantum dynamics of a kicked relativistic particle confined in a one dimensional box. It is found that in classical case for chaotic motion the average kinetic energy grows in time, while for mixed regime the growth is suppressed. However, in case of regular motion energy fluctuates around certain value. Quantum dynamics is treated by solving the time-dependent Dirac equation with delta-kicking potential, whose exact solution is obtained for single kicking period. In quantum case, depending on the values of the kicking parameters, the average kinetic energy can be quasi periodic, or fluctuating around some value. Particle transport is studied by considering spatio-temporal evolution of the Gaussian wave packet and by analyzing the trembling motion.

The relativistic virial theorem

International Nuclear Information System (INIS)

Lucha, W.; Schoeberl, F.F.

1989-11-01

The relativistic generalization of the quantum-mechanical virial theorem is derived and used to clarify the connection between the nonrelativistic and (semi-)relativistic treatment of bound states. 12 refs. (Authors)

Form factor of relativistic two-particle system and covariant hamiltonian formulation of quantum field theory

International Nuclear Information System (INIS)

Skachkov, N.; Solovtsov, I.

1979-01-01

Based on the hamiltonian formulation of quantum field theory proposed by Kadyshevsky the three-dimensional relativistic approach is developed for describing the form factors of composite systems. The main features of the diagram technique appearing in the covariant hamiltonian formulation of field theory are discussed. The three-dimensional relativistic equation for the vertex function is derived and its connection with that for the quasipotential wave function is found. The expressions are obtained for the form factor of the system through equal-time two-particle wave functions both in momentum and relativistic configurational representations. An explicit expression for the form factor is found for the case of two-particle interaction through the Coulomb potential

Generation of a quantum integrable class of discrete-time or relativistic periodic Toda chains

International Nuclear Information System (INIS)

Kundu, Anjan

1994-01-01

A new integrable class of quantum models representing a family of different discrete-time or relativistic generalisations of the periodic Toda chain (TC), including that of a recently proposed classical model close to TC [Lett. Math. Phys. 29 (1993) 165] is presented. All such models are shown to be obtainable from a single ancestor model at different realisations of the underlying quantised algebra. As a consequence the 2x2 Lax operators and the associated quantum R-matrices for these models are easily derived ensuring their quantum integrability. It is shown that the functional Bethe ansatz developed for the quantum TC is trivially generalised to achieve separation of variables also for the present models. ((orig.))

Molecular type channeling of relativistic electrons in crystals

International Nuclear Information System (INIS)

Vyatkin, E.G.; Filimonov, Yu.M.; Taratin, A.M.; Vorobiev, S.A.

1983-01-01

Channeling of relativistic electrons in direction in a diamond crystal and the channeling radiation spectra are investigated using computer simulation by the binary collision model and using the model of a continuum potential of the atomic rows. In a computer experiment the atomic- and molecular-type states of channeled elcetrons are revealed, and the orientational dependence of the electron trapping probability in these states is obtained. The peculiarities revealed of the angular distributions and radiation spectra of electrons in the molecular-type states allow to discover these states in the experiment. (author)

Relativistic self-focusing of ultra-high intensity X-ray laser beams in warm quantum plasma with upward density profile

International Nuclear Information System (INIS)

Habibi, M.; Ghamari, F.

2014-01-01

The results of a numerical study of high-intensity X-ray laser beam interaction with warm quantum plasma (WQP) are presented. By means of an upward ramp density profile combined with quantum factors specially the Fermi velocity, we have demonstrated significant relativistic self-focusing (RSF) of a Gaussian electromagnetic beam in the WQP where the Fermi temperature term in the dielectric function is important. For this purpose, we have considered the quantum hydrodynamics model that modifies refractive index of inhomogeneous WQPs with the inclusion of quantum correction through the quantum statistical and diffraction effects in the relativistic regime. Also, to better illustration of the physical difference between warm and cold quantum plasmas and their effect on the RSF, we have derived the envelope equation governing the spot size of X-ray laser beam in Q-plasmas. In addition to the upward ramp density profile, we have found that the quantum effects would be caused much higher oscillation and better focusing of X-ray laser beam in the WQP compared to that of cold quantum case. Our computational results reveal the importance of the use of electrons density profile and Fermi speed in enhancing self-focusing of laser beam

Solved and unsolved problems in relativistic quantum chemistry

International Nuclear Information System (INIS)

Kutzelnigg, Werner

2012-01-01

Graphical abstract: The graphical abstract represents the Dirac-Coulomb Hamiltonian in Fock space in a diagrammatic notation. A line (vertical or slanted) with an upgoing arrow represents an eletron, with a downgoing arrow a positron. A cross in the first line means the potential created by a nucleus, a broken line represents the Coulomb interaction between electrons and positrons. Highlights: ► Relativistic many-electron theory needs a Fock space and a field-dependent vacuum. ► A good starting point is QED in Coulomb gauge without transversal photons. ► The Dirac underworld picture is obsolete. ► A kinetically balanced even-tempered Gaussian basis is complete. ► ‘Quantum chemistry in Fock space is preferable over QED. - Abstract: A hierarchy of approximations in relativistic many-electron theory is discussed that starts with the Dirac equation and its expansion in a kinetically balanced basis, via a formulation of non-interacting electrons in Fock space (which is the only consistent way to deal with negative-energy states). The most straightforward approximate Hamiltonian for interacting electrons is derived from quantum electrodynamics (QED) in Coulomb gauge with the neglect of transversal photons. This allows an exact (non-perturbative) decoupling of the electromagnetic field from the fermionic field. The electric interaction of the fermions is non-retarded and non-quantized. The quantization of the fermionic field leads to a polarizable vacuum. The simplest (but somewhat problematic) approximation is a no-pair projected theory with external-field projectors. The Dirac-Coulomb operator in configuration space (first quantization) is not acceptable, even if the Brown–Ravenhall disease is much less virulent than often claimed. Effects of transversal photons, such as the Breit interaction and renormalized self-interaction can be taken care of perturbatively at the end, but there are still many open questions.

Relativistic local quantum field theory for m=0 particles

International Nuclear Information System (INIS)

Morales Villasevil, A.

1965-01-01

A method is introduced ta deal with relativistic quantum field theory for particles with m=0. Two mappings I and J, giving rise respectively to particle and anti particle states, are defined between a test space and the physical Hilbert space. The intrinsic field operator is then defined as the minimal causal linear combinations of operators belonging to the annihilation-creation algebra associated to the germ and antigerm parts of the element. Local elements are introduced as improper test elements and local field operators are constructed in the same way as the intrinsic ones. Commutation rules are given. (Author) 17 refs

Study of Au+Au relativistic collisions with the Fopi-Phase I detector; Etude des collisions relativistes Au+Au avec le detecteur Fopi-Phase I

Energy Technology Data Exchange (ETDEWEB)

Dupieux, P

1995-01-01

Au+Au relativistic collisions, in a 100-1000 MeV energy domain per nucleon, are described. Experiments have been carried out with the SIS accelerator at GSI/Darmstadt. Data are analysed with the FOPI-phase I detector. These data are compared with IQMD model (Isospin Quantum Molecular Dynamics) Predictions. (S.G). 80 refs., 77 figs., 5 tabs.

Schrödinger problem, Lévy processes, and noise in relativistic quantum mechanics

Science.gov (United States)

Garbaczewski, Piotr; Klauder, John R.; Olkiewicz, Robert

1995-05-01

The main purpose of the paper is an essentially probabilistic analysis of relativistic quantum mechanics. It is based on the assumption that whenever probability distributions arise, there exists a stochastic process that is either responsible for the temporal evolution of a given measure or preserves the measure in the stationary case. Our departure point is the so-called Schrödinger problem of probabilistic evolution, which provides for a unique Markov stochastic interpolation between any given pair of boundary probability densities for a process covering a fixed, finite duration of time, provided we have decided a priori what kind of primordial dynamical semigroup transition mechanism is involved. In the nonrelativistic theory, including quantum mechanics, Feynman-Kac-like kernels are the building blocks for suitable transition probability densities of the process. In the standard ``free'' case (Feynman-Kac potential equal to zero) the familiar Wiener noise is recovered. In the framework of the Schrödinger problem, the ``free noise'' can also be extended to any infinitely divisible probability law, as covered by the Lévy-Khintchine formula. Since the relativistic Hamiltonians ||∇|| and √-Δ+m2 -m are known to generate such laws, we focus on them for the analysis of probabilistic phenomena, which are shown to be associated with the relativistic wave (D'Alembert) and matter-wave (Klein-Gordon) equations, respectively. We show that such stochastic processes exist and are spatial jump processes. In general, in the presence of external potentials, they do not share the Markov property, except for stationary situations. A concrete example of the pseudodifferential Cauchy-Schrödinger evolution is analyzed in detail. The relativistic covariance of related wave equations is exploited to demonstrate how the associated stochastic jump processes comply with the principles of special relativity.

The quantum structure of matter grand challenge project: Large-scale 3-D solutions in relativistic quantum dynamics

International Nuclear Information System (INIS)

Wells, J.C.; Oberacker, V.E.; Umar, A.S.

1993-01-01

We describe the numerical methods used to solve the time-dependent Dirac equation on a three-dimensional Cartesian lattice. Efficient algorithms are required for computationally intensive studies of nonperturbative relativistic quantum dynamics. Discretization is achieved through the lattice basis-spline collocation method, in which quantum-state vectors and coordinate-space operators are expressed in terms of basis-spline functions on a spatial lattice. All numerical procedures reduce to a series of matrix-vector operations which we perform on the Intel iPSC/860 hypercube, making full use of parallelism. We discuss our solutions to the problems of limited node memory and node-to-node communication overhead inherent in using distributed-memory, multiple-instruction, multiple-data stream parallel computers

Relativistic quantum dynamics in strong fields: Photon emission from heavy, few-electron ions

International Nuclear Information System (INIS)

Fritzsche, S.; Stoehlker, T.

2005-03-01

Recent progress in the study of the photon emission from highly-charged heavy ions is reviewed. These investigations show that high-Z ions provide a unique tool for improving the understanding of the electron-electron and electron-photon interaction in the presence of strong fields. Apart from the bound-state transitions, which are accurately described in the framework of quantum electrodynamics, much information has been obtained also from the radiative capture of (quasi-) free electrons by high-Z ions. Many features in the observed spectra hereby confirm the inherently relativistic behavior of even the simplest compound quantum systems in nature. (orig.)

Unifying quanta and relativity. Schroedinger`s attitude to relativistic quantum mechanics

Energy Technology Data Exchange (ETDEWEB)

Kragh, H. [Roskilde Universitetscenter (Denmark)

1992-12-31

A considerable part of Schroedinger`s scientific work focused on the relationship between quantum theory and the theory of relativity. This paper provides a historical analysis of his occupation on this subject in the period 1925-1934. The first section surveys the role played by relativity in Schroedinger`s formation of wave mechanics in 1925-1926; the second section analyzes his attempt to make sense of Dirac`s theory of the electron by proposing a relativistic wave equation with positive energies only. In this work, which took place in 1930-1931, Schroedinger discovered the Zitterbewegung that Dirac electrons will exhibit even in a field-free case. Schroedinger`s failed attempt to introduce an alternative to the Dirac theory was part of his general dissatisfaction with the current state of quantum mechanics. It is argued that, to a large extent, his work on the Dirac theory was philosophically motivated and that it contributed to his alienation from mainstream quantum physics in the 1930s. (author). 54 refs.

A quantum theory of the self-energy of non-relativistic fermions and of the Coulomb-Yukawa force acting between them

International Nuclear Information System (INIS)

Ernst, V.

1978-01-01

The idea of the systematic Weisskopf-Wigner approximation as used sporadically in atomic physics and quantum optics, is extended here to the interaction of a field of non-relativistic fermions with a field of relativistic bosons. It is shown that the usual (non-existing) interaction Hamiltonian of this system can be written as a sum of a countable number of self-adjoint and bounded partial Hamiltonians. The system of these Hamiltonians defines the order hierarchy of the present approximation scheme. To demonstrate its physical utility it is shown that in a certain order it provides satisfactory quantum theory of the 'self-energy' of the fermions under discussion. This is defined as the binding energy of bosons bound to the fermions and building up the latter's 'individual Coulomb or Yukawa fields' in the sense of expectation values of the corresponding field operator. In states of more than one fermion the bound photons act as a mediating agent between the fermions; this mechanism closely resembles the Coulomb or Yukawa 'forces' used in conventional non-relativistic quantum mechanics. (author)

Quantum mechanics of relativistic particles in multiply connected spaces and the Aharonov-Bohm effect

International Nuclear Information System (INIS)

Gamboa, J.; Rivelles, V.O.

1990-04-01

We consider the motion of free relativistic particles in multiply connected spaces. We show that if one of the spatial dimensions has the topology of a circle then the D dimensional spacetime is compactified to D-1 dimensions and the particle mass increases by an amount which is proportional to a quantum phase factor and inversely proportional to the radius of the circle. We also consider the relativistic Aharonov-Bohm effect and we show that the interference pattern is a universal characteristic due only to the topological properties of the experimental situation and not to the intrinsic properties of the particle. The propagators are calculated in both situations. (author) [pt

10th Biennial Conference on Classical and Quantum Relativistic Dynamics of Particles and Fields

International Nuclear Information System (INIS)

2017-01-01

Preface The International Association for Relativistic Dynamics was organized in February 1998 in Houston, Texas, with John R. Fanchi as president. Although the subject of relativistic dynamics has been explored, from both classical and quantum mechanical points of view, since the work of Einstein and Dirac, its most striking development has been in the framework of quantum field theory. The very accurate calculations of spectral and scattering properties, for example, of the anomalous magnetic moment of the electron and the Lamb shift in quantum electrodynamics, and many qualitative features of the strong and electroweak interactions, demonstrate the very great power of description achieved in this framework. Yet, many fundamental questions remain to be clarified, such as the structure of classical relativistic dynamical theories on the level of Hamilton and Lagrange in Minkowski space as well as on the curved manifolds of general relativity. There, moreover, remained the important questions of the covariant classical description of systems at high energy for which particle production effects are not large, such as discussed in Synge’s book, The Relativistic Gas , and in Balescu’s book on relativistic statistical mechanics, and the development of a consistent single and many body relativistic quantum theory. In recent years, the very high accuracy of telescopes and advanced facilities for computation have brought a high level of interest in cosmological problems such as the structure of galaxies (dark matter) and the apparently anomalous expansion of the universe (dark energy). Some of the papers reported here deal with these problems, as well as other fundamental related issues. It was for this purpose, to bring together researchers from a wide variety of fields, such as particle physics, astrophysics, cosmology, foundations of relativity theory, and mathematical physics, with a common interest in relativistic dynamics, to investigate fundamental questions of

Relativistic particle in a box: Klein-Gordon versus Dirac equations

Science.gov (United States)

Alberto, Pedro; Das, Saurya; Vagenas, Elias C.

2018-03-01

The problem of a particle in a box is probably the simplest problem in quantum mechanics which allows for significant insight into the nature of quantum systems and thus is a cornerstone in the teaching of quantum mechanics. In relativistic quantum mechanics this problem allows also to highlight the implications of special relativity for quantum physics, namely the effect that spin has on the quantised energy spectra. To illustrate this point, we solve the problem of a spin zero relativistic particle in a one- and three-dimensional box using the Klein-Gordon equation in the Feshbach-Villars formalism. We compare the solutions and the energy spectra obtained with the corresponding ones from the Dirac equation for a spin one-half relativistic particle. We note the similarities and differences, in particular the spin effects in the relativistic energy spectrum. As expected, the non-relativistic limit is the same for both kinds of particles, since, for a particle in a box, the spin contribution to the energy is a relativistic effect.

Relativistic quantum cryptography

International Nuclear Information System (INIS)

Molotkov, S. N.

2011-01-01

A new protocol of quantum key distribution is proposed to transmit keys through free space. Along with quantum-mechanical restrictions on the discernibility of nonorthogonal quantum states, the protocol uses additional restrictions imposed by special relativity theory. Unlike all existing quantum key distribution protocols, this protocol ensures key secrecy for a not strictly one-photon source of quantum states and an arbitrary length of a quantum communication channel.

PREFACE: IARD 2010: The 7th Biennial Conference on Classical and Quantum Relativistic Dynamics of Particles and Fields

Science.gov (United States)

Horwitz, Lawrence; Hu, Bei-Lok; Lee, Da-Shin; Gill, Tepper; Land, Martin

2011-12-01

Although the subject of relativistic dynamics has been explored from both classical and quantum mechanical points of view since the work of Einstein and Dirac, its most striking development has been in the framework of quantum field theory. The very accurate calculations of spectral and scattering properties, for example, of the anamolous magnetic moment of the electron and the Lamb shift in quantum electrodynamics, and many qualitative features of the strong and electroweak interactions, demonstrate the very great power of description achieved in this framework. Yet, many fundamental questions remain to be clarified, such as the structure of classical realtivistic dynamical theories on the level of Hamilton and Lagrange in Minkowski space as well as on the curved manifolds of general relativity. There moreover remains the important question of the covariant classical description of systems at high energy for which particle production effects are not large, such as discussed in Synge's book, The Relativistic Gas, and in Balescu's book on relativistic statistical mechanics. In recent years, the study of high energy plasmas and heavy ion collisions has emphasized the importance of developing the techniques of relativistic mechanics. The results of Linder et al (Phys. Rev. Lett. 95 0040401 (2005)) as well as the more recent work of Palacios et al (Phys. Rev. Lett. 103 253001 (2009)) and others, have shown that there must be a quantum theory with coherence in time. Such a theory, manifestly covariant under the transformations of special relativity with an invariant evolution parameter, such as that of Stueckelberg (Helv. Phys. Acta 14 322, 588 (1941); 15 23 (1942); see also R P Feynman Phys. Rev. 80 4401 and J S Schwinger Phys. Rev. 82 664 (1951)) could provide a suitable basis for the study of such questions, as well as many others for which the application of the standard methods of quantum field theory are difficult to manage, involving, in particular, local

PREFACE: IARD 2012: 8th Biennial Conference on Classical and Quantum Relativistic Dynamics of Particles and Fields

Science.gov (United States)

Horwitz, L. P.; Land, Martin C.; Gill, Tepper; Lusanna, Luca; Salucci, Paolo

2013-04-01

Although the subject of relativistic dynamics has been explored, from both classical and quantum mechanical points of view, since the work of Einstein and Dirac, its most striking development has been in the framework of quantum field theory. The very accurate calculations of spectral and scattering properties, for example, of the anomalous magnetic moment of the electron and the Lamb shift in quantum electrodynamics, and many qualitative features of the strong and electroweak interactions, demonstrate the very great power of description achieved in this framework. Yet, many fundamental questions remain to be clarified, such as the structure of classical relativistic dynamical theories on the level of Hamilton and Lagrange in Minkowski space as well as on the curved manifolds of general relativity. There moreover remains the important question of the covariant classical description of systems at high energy for which particle production effects are not large, such as discussed in Synge's book, The Relativistic Gas, and in Balescu's book on relativistic statistical mechanics. In recent years, the study of high energy plasmas and heavy ion collisions has emphasized the importance of developing the techniques of relativistic mechanics. The results of Lindner et al [Physical Review Letters 95 0040401 (2005)] as well as the more recent proposal of Palacios et al [Phys. Rev. Lett. 103 253001 (2009)] and others, have shown that there must be a quantum theory with coherence in time. Such a theory, manifestly covariant under the transformations of special relativity with an invariant evolution parameter, such as that of Stueckelberg [Helv. Phys. Acta 14 322, 588 (1941); 15 23 (1942); see also R P Feynman Phys. Rev. 80 4401 and J S Schwinger Phys. Rev. 82 664 (1951)] could provide a suitable basis for the study of such questions, as well as many others for which the application of the standard methods of quantum field theory are difficult to manage, involving, in particular

Relativistic particle in a box

OpenAIRE

Alberto, P.; Fiolhais, Carlos; Gil, Victor

1996-01-01

The problem of a relativistic spin 1/2 particle confined to a one-dimensional box is solved in a way that resembles closely the solution of the well known quantum-mechanical textbook problem of a non-relativistic particle in a box. The energy levels and probability density are computed and compared with the non-relativistic case

Outline of a nonlinear, relativistic quantum mechanics of extended particles

International Nuclear Information System (INIS)

Mielke, E.W.

1981-01-01

A quantum theory of intrinsically extended particles similar to de Broglie's theory of the Double Solution is proposed. A rational notion of the particle's extension is enthroned by realizing its internal structure via soliton-type solutions of nonlinear, relativistic wave equations. These droplet-type waves have a quasi-objective character except for certain boundary conditions which may be subject to stochastic fluctuations. More precisely, this assumption amounts to a probabilistic description of the center of a soliton such that it would follow the conventional quantum-mechanical formalism in the limit of zero particle radius. At short interaction distances, however, a promising nonlinear and nonlocal theory emerges. This model is not only capable of achieving a conceptually satisfying synthesis of the particle-wave dualism, but may also lead to a rational resolution of epistemological problems in the quantum-theoretical measurement process. Within experimental errors the results for, e.g., the hydrogen atom can be reproduced by appropriately specifying the nature of the nonlinear self-interaction. It is speculated that field theoretical issues raised by such notions as identical particles, field quantization and renormalization are already incorporated or resolved by this nonlocal theory, at least in principle. (author)

Outline of a nonlinear, relativistic quantum mechanics of extended particles

International Nuclear Information System (INIS)

Mielke, E.W.

1981-01-01

A quantum theory of intrinsically extended particles similar to de Broglie's Theory of the Double Solution is proposed. A rational notion of the particle's extension is enthroned by realizing its internal structure via soliton-type solutions of nonlinear, relativistic wave equations. These droplet-type waves have a quasi-objective character except for certain boundary conditions which may be subject to stochastic fluctuations. More precisely, this assumption amounts to a probabilistic description of the center of a soliton such that it would follow the conventional quantum-mechanical formalism in the limit of zero particle radius. At short interaction distances, however, a promising nonlinear and nonlocal theory emerges. This model is not only capable of achieving a conceptually satisfying synthesis of the particle-wave dualism, but may also lead to a rational resolution of epistemological problems in the quantum-theoretical measurement process. Within experimental errors the results for, e.g., the hydrogen atom can be reproduced by appropriately specifying the nature of the nonlinear self-interaction. It is speculated that field theoretical issues raised by such notions as identical particles, field quantization and renormalization are already incorporated or resolved by this nonlocal theory, at least in principle. (author)

Relativistic classical and quantum dynamics in intense crossed laser beams of various polarizations

Directory of Open Access Journals (Sweden)

M. Verschl

2007-02-01

Full Text Available The dynamics of an electron in crossed laser fields is investigated analytically. Two different standing wave configurations are compared. The counterpropagating laser waves are either linearly or circularly polarized. Both configurations have in common that there are one-dimensional trajectories on which the electron can oscillate with vanishing Lorentz force. The dynamics is analyzed for the situations when the electron moves in the vicinity of these ideal axes. If the laser intensities imply nonrelativistic electron dynamics, the system is described quantum mechanically. A semiclassical treatment renders the strongly relativistic regime accessible as well. To describe relativistic wave packets, the results of the classical analysis are employed for a Monte Carlo ensemble. This allows for a comparison of the wave packet dynamics for both configurations in the strongly relativistic regime. It is found for certain cases that relativity slows down the dynamics, i.e., for higher laser intensities, wave packet spreading and the drift away from the ideal axis of vanishing Lorentz force are shown to be increasingly suppressed.

Simulations of non-relativistic quantum chromodynamics at strong and weak coupling

Science.gov (United States)

Shakespeare, Norman Harold

In this thesis heavy quarks are investigated using lattice nonrelativistic quantum chromodynamics (NRQCD). Two major research works are presented. In the first major work, simulations are done for the three quarkonium systems cc¯, bc¯, and bb¯. The hyperfine splittings are computed at both leading and next-to-leading order in the relativistic expansion, using a large number of lattice spacings. A detailed comparison between mean-link and average plaquette tadpole renormalization schemes is undertaken with a number of features favouring the use of mean-links. These include much better scaling behavior of the hyperfine splittings and smaller relativistic corrections to the spin splittings. Signs of a breakdown in the NRQCD expansion are seen when the bare quark mass, in lattice units, falls below about one. In the second work, coefficients for the perturbative expansion of the static quark self energy are extracted from Monte Carlo simulations in the perturbative region of lattice quantum chromodynamics (QCD). A very large systematic study resulted in a major extension of existing methods. Twisted boundary conditions are used to eliminate the effects of zero modes and to suppress tunneling between the degenerate Z3 vacua. The Monte Carlo results are in excellent agreement with analytic perturbation theory, which is known through second order. New results for the third order coefficient are reported. Preliminary work is reported on quark propagators which will be used to measure second order mass renormalizations for NRQCD fermions.

Quantum tasks in Minkowski space

International Nuclear Information System (INIS)

Kent, Adrian

2012-01-01

The fundamental properties of quantum information and its applications to computing and cryptography have been greatly illuminated by considering information-theoretic tasks that are provably possible or impossible within non-relativistic quantum mechanics. I describe here a general framework for defining tasks within (special) relativistic quantum theory and illustrate it with examples from relativistic quantum cryptography and relativistic distributed quantum computation. The framework gives a unified description of all tasks previously considered and also defines a large class of new questions about the properties of quantum information in relation to Minkowski causality. It offers a way of exploring interesting new fundamental tasks and applications, and also highlights the scope for a more systematic understanding of the fundamental information-theoretic properties of relativistic quantum theory. (paper)

QED Effects in Molecules: Test on Rotational Quantum States of H2

Science.gov (United States)

Salumbides, E. J.; Dickenson, G. D.; Ivanov, T. I.; Ubachs, W.

2011-07-01

Quantum electrodynamic effects have been systematically tested in the progression of rotational quantum states in the XΣg+1, v=0 vibronic ground state of molecular hydrogen. High-precision Doppler-free spectroscopy of the EFΣg+1-XΣg+1 (0,0) band was performed with 0.005cm-1 accuracy on rotationally hot H2 (with rotational quantum states J up to 16). QED and relativistic contributions to rotational level energies as high as 0.13cm-1 are extracted, and are in perfect agreement with recent calculations of QED and high-order relativistic effects for the H2 ground state.

Studies of Ionic Photoionization Using Relativistic Random Phase Approximation and Relativistic Multichannel Quantum Defect Theory

Science.gov (United States)

Haque, Ghousia Nasreen

The absorption of electromagnetic radiation by positive ions is one of the fundamental processes of nature which occurs in every intensely hot environment. Due to the difficulties in producing sufficient densities of ions in a laboratory, there are very few measurements of ionic photoabsorption parameters. On the theoretical side, some calculations have been made of a few major photoionization parameters, but generally speaking, most of the work done so far has employed rather simple single particle models and any theoretical work which has adequately taken into account intricate atomic many-body and relativistic effects is only scanty. In the present work, several complex aspects of atomic/ionic photoabsorption parameters have been studied. Non -resonant photoionization in neon and argon isonuclear as well as isoelectronic sequences has been studied using a very sophisticated technique, namely the relativistic random phase approximation (RRPA). This technique takes into account relativistic effects as well as an important class of major many-body effects on the same footing. The present calculations confirmed that gross features of photoionization parameters calculated using simpler models were not an artifact of the simple model. Also, the present RRPA calculations on K^+ ion and neutral Ar brought out the relative importance of various many-body effects such the inter-channel coupling. Inter-channel coupling between discrete bound state photoexcitation channels from an inner atomic/ionic level and photoionization continuum channels from an outer atomic/ionic level leads to the phenomena of autoionization resonances in the photoionization process. These resonances lead to very complex effects in the atomic/ionic photoabsorption spectra. These resonances have been calculated and studied in the present work in the neon and magnesium isoelectronic sequences using the relativistic multi-channel quantum defect theory (RMQDT) within the framework of the RRPA. The

Relativistic many-body theory of atomic transitions. The relativistic equation-of-motion approach

International Nuclear Information System (INIS)

Huang, K.

1982-01-01

An equation-of-motion approach is used to develop the relativistic many-body theory of atomic transitions. The relativistic equations of motion for transition matrices are formulated with the use of techniques of quantum-field theory. To reduce the equations of motion to a tractable form which is appropriate for numerical calculations, a graphical method to resolve the complication arising from the antisymmetrization and angular-momentum coupling is employed. The relativistic equation-of-motion method allows an ab initio treatment of correlation and relativistic effects in both closed- and open-shell many-body systems. A special case of the present formulation reduces to the relativistic random-phase approximation

Relativistic many-body theory of atomic transitions: the relativistic equation-of-motion approach

International Nuclear Information System (INIS)

Huang, K.N.

1981-01-01

An equation-of-motion approach is used to develop the relativistic many-body theory of atomic transitions. The relativistic equations of motion for transition matrices are formulated using techniques of quantum field theory. To reduce the equation of motion to a tractable form which is appropriate for numerical calculations, a graphical method is employed to resolve the complication arising from the antisymmetrization and angular momentum coupling. The relativistic equation-of-motion method allows an ab initio treatment of correlation and relativistic effects in both closed- and open-shell many-body systems. A special case of the present formulation reduces to the relativistic random-phase approximation

Relativistic impulse dynamics.

Science.gov (United States)

Swanson, Stanley M

2011-08-01

Classical electrodynamics has some annoying rough edges. The self-energy of charges is infinite without a cutoff. The calculation of relativistic trajectories is difficult because of retardation and an average radiation reaction term. By reconceptuallizing electrodynamics in terms of exchanges of impulses rather than describing it by forces and potentials, we eliminate these problems. A fully relativistic theory using photonlike null impulses is developed. Numerical calculations for a two-body, one-impulse-in-transit model are discussed. A simple relationship between center-of-mass scattering angle and angular momentum was found. It reproduces the Rutherford cross section at low velocities and agrees with the leading term of relativistic distinguishable-particle quantum cross sections (Møller, Mott) when the distance of closest approach is larger than the Compton wavelength of the particle. Magnetism emerges as a consequence of viewing retarded and advanced interactions from the vantage point of an instantaneous radius vector. Radiation reaction becomes the local conservation of energy-momentum between the radiating particle and the emitted impulse. A net action is defined that could be used in developing quantum dynamics without potentials. A reinterpretation of Newton's laws extends them to relativistic motion.

Arbitrary amplitude nucleus-acoustic solitons in multi-ion quantum plasmas with relativistically degenerate electrons

Science.gov (United States)

Sultana, S.; Schlickeiser, R.

2018-02-01

A three component degenerate relativistic quantum plasma (consisting of relativistically degenerate electrons, nondegenerate inertial light nuclei, and stationary heavy nuclei) is considered to model the linear wave and also the electrostatic solitary waves in the light nuclei-scale length. A well-known normal mode analysis is employed to investigate the linear wave properties. A mechanical-motion analog (Sagdeev-type) pseudo-potential approach, which reveals the existence of large amplitude solitary excitations, is adopted to study the nonlinear wave properties. Only the positive potential solitary excitations are found to exist in the plasma medium under consideration. The basic properties of the arbitrary amplitude electrostatic acoustic modes in the light nuclei-scale length and their existence domain in terms of soliton speed (Mach number) are examined. The modifications of solitary wave characteristics and their existence domain with the variation of different key plasma configuration parameters (e.g., electrons degeneracy parameter, inertial light nuclei number density, and degenerate electron number density) are also analyzed. Our results, which may be helpful to explain the basic features of the nonlinear wave propagation in multi-component degenerate quantum plasmas, in connection with astrophysical compact objects (e.g., white dwarfs) are briefly discussed.

Susceptibilities of conserved quantities in relativistic heavy-ion collisions at RHIC

International Nuclear Information System (INIS)

Chatterjee, A.; Nayak, T.K.; Chatterjee, S.; Sahoo, N.R.

2016-01-01

The major motivations of heavy-ion collisions at ultra-relativistic energies is to study the formation of new form of matter, called quark-gluon plasma (QGP) and study its basic properties. Susceptibilities of conserved quantities, such as electric charge, baryon number and strangeness are sensitive to the onset of quantum chromodynamics (QCD) phase transition, and provide information on the mater produce in heavy ion collisions. In this work, we have used the Ultra-relativistic Quantum Molecular Dynamics (UrQMD) and the hadron resonance gas (HRG) models to analyzes the 2"n"d order susceptibilities of conserved charges. In experiments, one needs to understand and correct for detector acceptance, efficiency and limited particle identification in order to interpret the results and compare with theoretical calculations. The transverse momentum cutoff dependence of suitably normalized susceptibilities are proposed as useful observables to probe the properties of the medium at freezout

Notes on Translational and Rotational Properties of Tensor Fields in Relativistic Quantum Mechanics

Science.gov (United States)

Dvoeglazov, V. V.

Recently, several discussions on the possible observability of 4-vector fields have been published in literature. Furthermore, several authors recently claimed existence of the helicity=0 fundamental field. We re-examine the theory of antisymmetric tensor fields and 4-vector potentials. We study the massless limits. In fact, a theoretical motivation for this venture is the old papers of Ogievetskiĭ and Polubarinov, Hayashi, and Kalb and Ramond. Ogievetskiĭ and Polubarinov proposed the concept of the notoph, whose helicity properties are complementary to those of the photon. We analyze the quantum field theory with taking into account mass dimensions of the notoph and the photon. It appears to be possible to describe both photon and notoph degrees of freedom on the basis of the modified Bargmann-Wigner formalism for the symmetric second-rank spinor. Next, we proceed to derive equations for the symmetric tensor of the second rank on the basis of the Bargmann-Wigner formalism in a straightforward way. The symmetric multispinor of the fourth rank is used. Due to serious problems with the interpretation of the results obtained on using the standard procedure we generalize it and obtain the spin-2 relativistic equations, which are consistent with the general relativity. Thus, in fact we deduced the gravitational field equations from relativistic quantum mechanics. The relations of this theory with the scalar-tensor theories of gravitation and f(R) are discussed. Particular attention has been paid to the correct definitions of the energy-momentum tensor and other Nöther currents in the electromagnetic theory, the relativistic theory of gravitation, the general relativity, and their generalizations. We estimate possible interactions, fermion-notoph, graviton-notoph, photon-notoph, and we conclude that they can probably be seen in experiments in the next few years.

Structure and applications of point form relativistic quantum mechanics

International Nuclear Information System (INIS)

Klink, W.H.

2003-01-01

The framework of point form relativistic quantum mechanics is used to construct mass and current operators for hadronic systems with finite degree of freedom. For the point form all of the interactions are in the four-momentum operator and, since Lorentz transformations are kinematic, the theory is manifestly covariant. In the Bakamjian-Thomas version of the point form the four-momentum operator is written as a product of the four-velocity operator and mass operator, where the mass operator is the sum of free and interacting mass operators. Interacting mass operators can be constructed from vertices, matrix elements of local field operators evaluated at the space-time point zero, where the states are eigenstates of the four-velocity. Applications include the study of the spectra and widths of vector mesons, viewed as bound states of quark-antiquark pairs. Besides mass operators, current operators are needed to compute form factors. Form factors are matrix elements of current operators on mass operator eigenstates and are often calculated with one-body current operators (in the point form this is called the point form spectator approximation); but in a properly relativistic theory there must also be many-body current operators. Minimal currents needed to satisfy current conservation in the presence of hadronic interactions (called dynamically determined currents) are shown to be easily calculated in the point form. (author)

Models of non-relativistic quantum gravity: the good, the bad and the healthy

CERN Document Server

Blas, Diego; Sibiryakov, Sergey

2011-01-01

Horava's proposal for non-relativistic quantum gravity introduces a preferred time foliation of space-time which violates the local Lorentz invariance. The foliation is encoded in a dynamical scalar field which we call `khronon'. The dynamics of the khronon field is sensitive to the symmetries and other details of the particular implementations of the proposal. In this paper we examine several consistency issues present in three non-relativistic gravity theories: Horava's projectable theory, the healthy non-projectable extension, and a new extension related to ghost condensation. We find that the only model which is free from instabilities and strong coupling is the non-projectable one. We elaborate on the phenomenology of the latter model including a discussion of the couplings of the khronon to matter. In particular, we obtain the parameters of the post-Newtonian expansion in this model and show that they are compatible with current observations.

New relativistic generalization of the Heisenberg commutation relations

International Nuclear Information System (INIS)

Bohm, A.; Loewe, M.; Magnollay, P.; Tarlini, M.; Aldinger, R.R.; Kielanowski, P.

1984-01-01

A relativistic generalization of the Heisenberg commutation relations is suggested which is different from the conventional ones used for the intrinsic coordinates and momenta in the relativistic oscillator model and the relativistic string. This new quantum relativistic oscillator model is determined by the requirement that it gives a unified description of relativistic vibrations and rotations and contracts in the nonrelativistic limit c -1 →0 into the usual nonrelativistic harmonic oscillator

Second quantization of classical nonlinear relativistic field theory. Pt. 2

International Nuclear Information System (INIS)

Balaban, T.

1976-01-01

The construction of a relativistic interacting local quantum field is given in two steps: first the classical nonlinear relativistic field theory is written down in terms of Poisson brackets, with initial conditions as canonical variables: next a representation of Poisson bracket Lie algebra by means of linear operators in the topological vector space is given and an explicit form of a local interacting relativistic quantum field PHI is obtained. (orig./BJ) [de

Quantum Transport Through Tunable Molecular Diodes

KAUST Repository

Obodo, Tobechukwu Joshua

2017-07-31

Employing self-interaction corrected density functional theory combined with the non-equilibrium Green\\'s function method, we study the quantum transport through molecules with different numbers of phenyl (donor) and pyrimidinyl (acceptor) rings in order to evaluate the effects of the molecular composition on the transport properties. Excellent agreement with the results of recent experiments addressing the rectification behavior of molecular junctions is obtained, which demonstrates the potential of quantum transport simulations for designing high performance junctions by tuning the molecular specifications.

Response of a relativistic quantum magnetized electron gas

International Nuclear Information System (INIS)

Melrose, Donald B; Weise, Jeanette I

2009-01-01

The response 4-tensor is derived for a spin-independent, relativistic magnetized quantum electron gas. The sum over spins is carried out both directly and using a procedure due to Ritus. The 4-tensor components are written in terms of a sum over the two solutions of the resonance condition for the particle 4-momentum. It is shown that the dispersive properties may be described in terms of a single plasma dispersion function, for arbitrary occupation numbers for electrons and positrons in each Landau level. The plasma dispersion function is evaluated explicitly in the completely degenerate and nondegenerate thermal limits. The perpendicular wave number appears in the arguments of J-functions, which are proportional to generalized Laguerre polynomials, but not in the plasma dispersion function. The result generalizes a known form for the response tensor for parallel propagation (in the completely degenerate case), when the J-functions are either zero or unity, to arbitrary angles of propagation.

Relativistic quantum cryptography

International Nuclear Information System (INIS)

Radchenko, I V; Kravtsov, K S; Kulik, S P; Molotkov, S N

2014-01-01

Quantum key distribution (QKD) is a concept of secret key exchange supported by fundamentals of quantum physics. Its perfect realization offers unconditional key security, however, known practical schemes are potentially vulnerable if the quantum channel loss exceeds a certain realization-specific bound. This discrepancy is caused by the fact that any practical photon source has a non-zero probability of emitting two or more photons at a time, while theory needs exactly one. We report an essentially different QKD scheme based on both quantum physics and theory of relativity. It works flawlessly with practical photon sources at arbitrary large channel loss. Our scheme is naturally tailored for free-space optical channels, and may be used in ground-to-satellite communications, where losses are prohibitively large and unpredictable for conventional QKD. (letters)

Relativistic quantum theory of composite systems

International Nuclear Information System (INIS)

Sogami, I.

1978-01-01

A relativistic quantum theory free from the difficulties of tachyons and ghosts is formulated to describe the scattering processes between composite systems of spinless quarks. To evade the complication brewed by introducing gluon fields or strings, valence quarks are effectively assumed to be in the relative motion of harmonic oscillation correlating with the motion of the composite system as a whole. A quark-antiquark system is represented by a bilocal field describing a sequence of mesons and every meson is identified with the composite system in a definite eigenstate of relative motion. The quantization is performed in the interaction picture, so that the microcausal condition is satisfied by local fields which result from the decomposition of bilocal fields. Imposing a weakened macrocausal condition on the whole motion of the extended system, a causal bilocal propagator is defined and a consistent time ordering among bilocal fields is defined. The invariant S-matrix is obtained and the graphical method for the calculation of its elements is developed in parallel with the conventional local field theory. For the (bilocal field) 3 interaction any malignant divergence does not appear excepting those in the renormalizable local field theory. The theory provides one promising and comprehensive phenomenology of hadrons which is suitable especially to describe the hard structure of hadrons. (author)

On the basis of molecular orbitals for relativistic bound systems of many bodies

International Nuclear Information System (INIS)

Cook, A.H.

1987-09-01

The quasi-relativistic Hamiltonian for bound states of many bodies proposed in previous articles (Cook, 1986, 1987a) is shown to provide a basis for the molecular orbital scheme of constructing wavefunctions and calculating eigenenergies. (author). 5 refs

Liouville equation of relativistic charged fermion

International Nuclear Information System (INIS)

Wang Renchuan; Zhu Dongpei; Huang Zhuoran; Ko Che-ming

1991-01-01

As a form of density martrix, the Wigner function is the distribution in quantum phase space. It is a 2 X 2 matrix function when one uses it to describe the non-relativistic fermion. While describing the relativistic fermion, it is usually represented by 4 x 4 matrix function. In this paper authors obtain a Wigner function for the relativistic fermion in the form of 2 x 2 matrix, and the Liouville equation satisfied by the Wigner function. this equivalent to the Dirac equation of changed fermion in QED. The equation is also equivalent to the Dirac equation in the Walecka model applied to the intermediate energy nuclear collision while the nucleon is coupled to the vector meson only (or taking mean field approximation for the scalar meson). Authors prove that the 2 x 2 Wigner function completely describes the quantum system just the same as the relativistic fermion wave function. All the information about the observables can be obtained with above Wigner function

Relativistic quantum cryptography

Science.gov (United States)

Kaniewski, Jedrzej

Special relativity states that information cannot travel faster than the speed of light, which means that communication between agents occupying distinct locations incurs some minimal delay. Alternatively, we can see it as temporary communication constraints between distinct agents and such constraints turn out to be useful for cryptographic purposes. In relativistic cryptography we consider protocols in which interactions occur at distinct locations at well-defined times and we investigate why such a setting allows to implement primitives which would not be possible otherwise. (Abstract shortened by UMI.).

Relativistic quantum mechanics of bosons

International Nuclear Information System (INIS)

Ghose, P.; Home, D.; Sinha Roy, M.N.

1993-01-01

We show that it is possible to use the Klein-Gordon, Proca and Maxwell formulations to construct multi-component relativistic configuration space wavefunctions of spin-0 and spin-1 bosons in an external field. These wavefunctions satisfy the first-order Kemmer-Duffin equation. The crucial ingredient is the use of the future-causal normal n μ (n μ n μ =1, n 0 >0) to the space-like hypersurfaces foliating space-time, inherent in the concept of a relativistic wavefunction, to construct a conserved future-causal probability current four-vector from the second-rank energy-momentum tensor, following Holland's prescription. The existence of a Hermitian position operator, localized solutions, compatibility with the second quantized theories and the question of interpretation are discussed. (orig.)

Comment on “Stationary self-focusing of Gaussian laser beam in relativistic thermal quantum plasma” [Phys. Plasmas 20, 072703 (2013)

International Nuclear Information System (INIS)

Habibi, M.; Ghamari, F.

2014-01-01

Patil and Takale in their recent article [Phys. Plasmas 20, 072703 (2013)], by evaluating the quantum dielectric response in thermal quantum plasma, have modeled the relativistic self-focusing of Gaussian laser beam in a plasma. We have found that there are some important shortcomings and fundamental mistakes in Patil and Takale [Phys. Plasmas 20, 072703 (2013)] that we give a brief description about them and refer readers to important misconception about the use of the Fermi temperature in quantum plasmas, appearing in Patil and Takale [Phys. Plasmas 20, 072703 (2013)

Particle production and Boltzmann integral form of relativistic quantum transport theory

International Nuclear Information System (INIS)

Rafelski, J.; Davis, E.D.; Bialynicki-Birula, I.

1993-01-01

The 3+3+1 dimensional relativistic quantum transport equation for the fermion matter field, combines the particle pair production with flow phenomena, which occur at very different time scale. A direct numerical treatment of dynamical situations is therefore practically impossible. The authors attempt a seperation of these two sectors by the method of prediagonalization of the integral equations. They exploit the structure of the resolvent of the transport equations: it contains two poles corresponding to the flow sector and two to the pair production sector. Their hope for practical applications is to treat matter flow as a classical phenomenon and to be able to obtain an integral term describing the pair production accurately

Molecular quantum dynamics. From theory to applications

International Nuclear Information System (INIS)

Gatti, Fabien

2014-01-01

An educational and accessible introduction to the field of molecular quantum dynamics. Illustrates the importance of the topic for broad areas of science: from astrophysics and the physics of the atmosphere, over elementary processes in chemistry, to biological processes. Presents chosen examples of striking applications, highlighting success stories, summarized by the internationally renowned experts. Including a foreword by Lorenz Cederbaum (University Heidelberg, Germany). This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book ''Molecular Quantum Dynamics'' offers them an accessible introduction. Although the

Molecular quantum dynamics. From theory to applications

Energy Technology Data Exchange (ETDEWEB)

Gatti, Fabien (ed.) [Montpellier 2 Univ. (France). Inst. Charles Gerhardt - CNRS 5253

2014-09-01

An educational and accessible introduction to the field of molecular quantum dynamics. Illustrates the importance of the topic for broad areas of science: from astrophysics and the physics of the atmosphere, over elementary processes in chemistry, to biological processes. Presents chosen examples of striking applications, highlighting success stories, summarized by the internationally renowned experts. Including a foreword by Lorenz Cederbaum (University Heidelberg, Germany). This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book ''Molecular Quantum Dynamics'' offers them an accessible

Contraint's theory and relativistic dynamics

International Nuclear Information System (INIS)

Longhi, G.; Lusanna, L.

1987-01-01

The purpose of this Workshop was to examine the current situation of relativistic dynamics. In particular, Dirac-Bergmann's theory of constraints, which lies at the heart of gauge theories, general relativity, relativistic mechanics and string theories, was chosen as the unifying theoretical framework best suited to investigate such a field. The papers discussed were on general relativity; relativistic mechanics; particle physics and mathematical physics. Also discussed were the problems of classical and quantum level, namely the identification of the classical observables of constrained systems, the equivalence of the nonequivalence of the various ways to quantize such systems; the problem of the anomalies; the best geometrical approach to the theory of constraints; the possibility of unifying all the treatments of relativistic mechanics. This book compiles the papers presented at proceedings of relativistic dynamics and constraints theory

Molecular Magnets for Quantum Computation

Science.gov (United States)

Kuroda, Takayoshi

2009-06-01

We review recent progress in molecular magnets especially in the viewpoint of the application for quantum computing. After a brief introduction to single-molecule magnets (SMMs), a method for qubit manipulation by using non-equidistant spin sublevels of a SMM will be introduced. A weakly-coupled dimer of two SMMs is also a candidate for quantum computing, which shows no quantum tunneling of magnetization (QTM) at zero field. In the AF ring Cr7Ni system, the large tunnel splitting is a great advantage to reduce decoherence during manipulation, which can be a possible candidate to realize quantum computer devices in future.

Relativistic quantum kinetic analysis of a pion--nucleon system

International Nuclear Information System (INIS)

Alonso, J.D.

1985-01-01

A relativistic plasma of nucleons interacting through pions via the usual isospin-invariant Yukawa coupling is analyzed in the framework of the covariant Wigner function technique. The method is manifestly covariant and the temperature effects are considered. The relativistic quantum BBGKY hierarchy for the pion--nucleon system is derived. By generalizing the Bogolioubov analysis of the classical BBGKY hierarchy a non-perturbative renormalizable method is elaborated which allows the solution of the kinetic problem in form of power series of two cluster parameters which measure the importance of correlations. In the lowest order of the cluster expansion (Hartree approximation of zero-order approximation) the quasi-nucleon Fock space is introduced, the fermion Wigner function in the thermodynamic equilibrium is obtained and the vacuum effects are renormalized. In this approximation the plasma behaves as a perfect Fermi gas of nucleons and antinucleons, but there exists an abnormal configuration with a uniform pion condensate which is unstable. In the next approximation (quadratic in the small parameters) the quasi-pion dispersion relation is obtained and the vacuum polarization tensor is renormalized. The quasi-pion rest-mass spectra (''plasma frequency'') and the effective-coupling behaviour as functions of the thermodynamic state are given. By estimating the size of the cluster parameters the self-consistency of the approximation scheme is proved. The quasi-pion Fock space is introduced and the quasi-pion equilibrium Wigner function is obtained. From these results the problem of the higher-order corrections to the Hartree thermodynamics is outlined

Five-dimensional Hamiltonian-Jacobi approach to relativistic quantum mechanics

International Nuclear Information System (INIS)

Rose, Harald

2003-01-01

A novel theory is outlined for describing the dynamics of relativistic electrons and positrons. By introducing the Lorentz-invariant universal time as a fifth independent variable, the Hamilton-Jacobi formalism of classical mechanics is extended from three to four spatial dimensions. This approach allows one to incorporate gravitation and spin interactions in the extended five-dimensional Lagrangian in a covariant form. The universal time has the function of a hidden Bell parameter. By employing the method of variation with respect to the four coordinates of the particle and the components of the electromagnetic field, the path equation and the electromagnetic field produced by the charge and the spin of the moving particle are derived. In addition the covariant equations for the dynamics of the components of the spin tensor are obtained. These equations can be transformed to the familiar BMT equation in the case of homogeneous electromagnetic fields. The quantization of the five-dimensional Hamilton-Jacobi equation yields a five-dimensional spinor wave equation, which degenerates to the Dirac equation in the stationary case if we neglect gravitation. The quantity which corresponds to the probability density of standard quantum mechanics is the four-dimensional mass density which has a real physical meaning. By means of the Green method the wave equation is transformed into an integral equation enabling a covariant relativistic path integral formulation. Using this approach a very accurate approximation for the four-dimensional propagator is derived. The proposed formalism makes Dirac's hole theory obsolete and can readily be extended to many particles

Simulations of relativistic quantum plasmas using real-time lattice scalar QED

Science.gov (United States)

Shi, Yuan; Xiao, Jianyuan; Qin, Hong; Fisch, Nathaniel J.

2018-05-01

Real-time lattice quantum electrodynamics (QED) provides a unique tool for simulating plasmas in the strong-field regime, where collective plasma scales are not well separated from relativistic-quantum scales. As a toy model, we study scalar QED, which describes self-consistent interactions between charged bosons and electromagnetic fields. To solve this model on a computer, we first discretize the scalar-QED action on a lattice, in a way that respects geometric structures of exterior calculus and U(1)-gauge symmetry. The lattice scalar QED can then be solved, in the classical-statistics regime, by advancing an ensemble of statistically equivalent initial conditions in time, using classical field equations obtained by extremizing the discrete action. To demonstrate the capability of our numerical scheme, we apply it to two example problems. The first example is the propagation of linear waves, where we recover analytic wave dispersion relations using numerical spectrum. The second example is an intense laser interacting with a one-dimensional plasma slab, where we demonstrate natural transition from wakefield acceleration to pair production when the wave amplitude exceeds the Schwinger threshold. Our real-time lattice scheme is fully explicit and respects local conservation laws, making it reliable for long-time dynamics. The algorithm is readily parallelized using domain decomposition, and the ensemble may be computed using quantum parallelism in the future.

A 'general boundary' formulation for quantum mechanics and quantum gravity

International Nuclear Information System (INIS)

Oeckl, Robert

2003-01-01

I propose to formalize quantum theories as topological quantum field theories in a generalized sense, associating state spaces with boundaries of arbitrary (and possibly finite) regions of space-time. I further propose to obtain such 'general boundary' quantum theories through a generalized path integral quantization. I show how both, non-relativistic quantum mechanics and quantum field theory can be given a 'general boundary' formulation. Surprisingly, even in the non-relativistic case, features normally associated with quantum field theory emerge from consistency conditions. This includes states with arbitrary particle number and pair creation. I also note how three-dimensional quantum gravity is an example for a realization of both proposals and suggest to apply them to four-dimensional quantum gravity

Jahn-Teller effect in molecular electronics: quantum cellular automata

Science.gov (United States)

Tsukerblat, B.; Palii, A.; Clemente-Juan, J. M.; Coronado, E.

2017-05-01

The article summarizes the main results of application of the theory of the Jahn-Teller (JT) and pseudo JT effects to the description of molecular quantum dot cellular automata (QCA), a new paradigm of quantum computing. The following issues are discussed: 1) QCA as a new paradigm of quantum computing, principles and advantages; 2) molecular implementation of QCA; 3) role of the JT effect in charge trapping, encoding of binary information in the quantum cell and non-linear cell-cell response; 4) spin-switching in molecular QCA based on mixed-valence cell; 5) intervalence optical absorption in tetrameric molecular mixed-valence cell through the symmetry assisted approach to the multimode/multilevel JT and pseudo JT problems.

Relativistic Polarizable Embedding

DEFF Research Database (Denmark)

Hedegård, Erik Donovan; Bast, Radovan; Kongsted, Jacob

2017-01-01

Most chemistry, including chemistry where relativistic effects are important, occurs in an environment, and in many cases, this environment has a significant effect on the chemistry. In nonrelativistic quantum chemistry, a lot of progress has been achieved with respect to including environments s...

Decoherence and discrete symmetries in deformed relativistic kinematics

Science.gov (United States)

Arzano, Michele

2018-01-01

Models of deformed Poincaré symmetries based on group valued momenta have long been studied as effective modifications of relativistic kinematics possibly capturing quantum gravity effects. In this contribution we show how they naturally lead to a generalized quantum time evolution of the type proposed to model fundamental decoherence for quantum systems in the presence of an evaporating black hole. The same structures which determine such generalized evolution also lead to a modification of the action of discrete symmetries and of the CPT operator. These features can in principle be used to put phenomenological constraints on models of deformed relativistic symmetries using precision measurements of neutral kaons.

Pion propagator in relativistic quantum field theories of the nuclear many-body problem

International Nuclear Information System (INIS)

Matsui, T.; Serot, B.D.

1982-01-01

Pion interactions in the nuclear medium are studied using renormalizable relativistic quantum field theories. Previous studies using pseudoscalar πN coupling encountered difficulties due to the large strength of the πNN vertex. We therefore formulate renormalizable field theories with pseudovector πN coupling using techniques introduced by Weinberg and Schwinger. Calculations are performed for two specific models; the scalar-vector theory of Walecka, extended to include π and rho mesons in a non-chiral fashion, and the linear sigma-model with an additional neutral vector meson. Both models qualitatively reproduce low-energy πN phenomenology and lead to nuclear matter saturation in the relativistic Hartree formalism, which includes baryon vacuum fluctuations. The pions propagator is evaluated in the one-nucleon-loop approximation, which corresponds to a relativistic random-phase approximation built on the Hartree ground state. Virtual NN-bar loops are included, and suitable renormalization techniques are illustrated. The local-density approximation is used to compare the threshold pion self-energy to the s-wave pion-nucleus optical potential. In the non-chiral model, s-wave pion-nucleus scattering is too large in both pseudoscalar and pseudovector calculations, indicating that additional constraints must be imposed on the Lagrangian. In the chiral model, the threshold self-energy vanishes automatically in the pseudovector case, but does so for pseudoscalar coupling only if the baryon effective mass is chosen self-consistently Since extrapolation from free space to nuclear density can lead to large effects, pion propagation in the medium can determine which πN coupling is more suitable for the relativistic nuclear many-body problem. Conversely, pion interactions constrain the model Lagrangian and the nuclear matter equation of state. An approximately chiral model with pseudovector coupling is favored

Relativistic atomic matrix elements of rq for arbitrary states in the quantum-defect approximation

International Nuclear Information System (INIS)

Owono Owono, L.C.; Owona Angue, M.L.C.; Kwato Njock, M.G.; Oumarou, B.

2004-01-01

Recurrence relations used in the calculation of matrix elements of r q for arbitrary q and states of the relativistic one-electron atom with a point-like ionic core are obtained with Dirac and quasirelativistic effective radial Hamiltonians. The phenomenological and supersymmetry-inspired quantum-defect approaches introduced in previous works to model the electron-core interactions are employed. The formulas worked out on the basis of a hypervirial inspired method may be viewed as a generalization to off-diagonal cases of our recently reported results on the evaluation of expectation values of r q

Non-relativistic quantum mechanics

CERN Document Server

Puri, Ravinder R

2017-01-01

This book develops and simplifies the concept of quantum mechanics based on the postulates of quantum mechanics. The text discusses the technique of disentangling the exponential of a sum of operators, closed under the operation of commutation, as the product of exponentials to simplify calculations of harmonic oscillator and angular momentum. Based on its singularity structure, the Schrödinger equation for various continuous potentials is solved in terms of the hypergeometric or the confluent hypergeometric functions. The forms of the potentials for which the one-dimensional Schrödinger equation is exactly solvable are derived in detail. The problem of identifying the states of two-level systems which have no classical analogy is addressed by going beyond Bell-like inequalities and separability. The measures of quantumness of mutual information in two two-level systems is also covered in detail. Offers a new approach to learning quantum mechanics based on the history of quantum mechanics and its postu...

Relativistic corrections to molecular dynamic dipole polarizabilities

DEFF Research Database (Denmark)

Kirpekar, Sheela; Oddershede, Jens; Jensen, Hans Jørgen Aagaard

1995-01-01

obtained from the use of the Darwin and mass-velocity operators to first order are included at both levels of approximation. We find that correlation and relativistic contributions are not even approximately additive for the two molecules. The importance of the relativistic corrections is smallest...

Proof of the Spin Statistics Connection 2: Relativistic Theory

Science.gov (United States)

Santamato, Enrico; De Martini, Francesco

2017-12-01

The traditional standard theory of quantum mechanics is unable to solve the spin-statistics problem, i.e. to justify the utterly important "Pauli Exclusion Principle" but by the adoption of the complex standard relativistic quantum field theory. In a recent paper (Santamato and De Martini in Found Phys 45(7):858-873, 2015) we presented a proof of the spin-statistics problem in the nonrelativistic approximation on the basis of the "Conformal Quantum Geometrodynamics". In the present paper, by the same theory the proof of the spin-statistics theorem is extended to the relativistic domain in the general scenario of curved spacetime. The relativistic approach allows to formulate a manifestly step-by-step Weyl gauge invariant theory and to emphasize some fundamental aspects of group theory in the demonstration. No relativistic quantum field operators are used and the particle exchange properties are drawn from the conservation of the intrinsic helicity of elementary particles. It is therefore this property, not considered in the standard quantum mechanics, which determines the correct spin-statistics connection observed in Nature (Santamato and De Martini in Found Phys 45(7):858-873, 2015). The present proof of the spin-statistics theorem is simpler than the one presented in Santamato and De Martini (Found Phys 45(7):858-873, 2015), because it is based on symmetry group considerations only, without having recourse to frames attached to the particles. Second quantization and anticommuting operators are not necessary.

Relativistic Wigner functions

Directory of Open Access Journals (Sweden)

Bialynicki-Birula Iwo

2014-01-01

Full Text Available Original definition of the Wigner function can be extended in a natural manner to relativistic domain in the framework of quantum field theory. Three such generalizations are described. They cover the cases of the Dirac particles, the photon, and the full electromagnetic field.

Relativistic Anandan quantum phase and the Aharonov–Casher effect under Lorentz symmetry breaking effects in the cosmic string spacetime

Energy Technology Data Exchange (ETDEWEB)

Bakke, K., E-mail: kbakke@fisica.ufpb.br [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, 58051-900, João Pessoa-PB (Brazil); Furtado, C., E-mail: furtado@fisica.ufpb.br [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, 58051-900, João Pessoa-PB (Brazil); Belich, H., E-mail: belichjr@gmail.com [Departamento de Física e Química, Universidade Federal do Espírito Santo, Av. Fernando Ferrari, 514, Goiabeiras, 29060-900, Vitória, ES (Brazil)

2016-09-15

From the modified Maxwell theory coupled to gravity, we establish a possible scenario of the violation of the Lorentz symmetry and write an effective metric for the cosmic string spacetime. Then, we investigate the arising of an analogue of the Anandan quantum phase for a relativistic Dirac neutral particle with a permanent magnetic dipole moment in the cosmic string spacetime under Lorentz symmetry breaking effects. Besides, we analyse the influence of the effects of the Lorentz symmetry violation and the topology of the defect on the Aharonov–Casher geometric quantum phase in the nonrelativistic limit.

Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation

International Nuclear Information System (INIS)

Green, Timothy F. G.; Yates, Jonathan R.

2014-01-01

We present a method for the first-principles calculation of nuclear magnetic resonance (NMR) J-coupling in extended systems using state-of-the-art ultrasoft pseudopotentials and including scalar-relativistic effects. The use of ultrasoft pseudopotentials is allowed by extending the projector augmented wave (PAW) method of Joyce et al. [J. Chem. Phys. 127, 204107 (2007)]. We benchmark it against existing local-orbital quantum chemical calculations and experiments for small molecules containing light elements, with good agreement. Scalar-relativistic effects are included at the zeroth-order regular approximation level of theory and benchmarked against existing local-orbital quantum chemical calculations and experiments for a number of small molecules containing the heavy row six elements W, Pt, Hg, Tl, and Pb, with good agreement. Finally, 1 J(P-Ag) and 2 J(P-Ag-P) couplings are calculated in some larger molecular crystals and compared against solid-state NMR experiments. Some remarks are also made as to improving the numerical stability of dipole perturbations using PAW

From a particle in a box to the uncertainty relation in a quantum dot and to reflecting walls for relativistic fermions

International Nuclear Information System (INIS)

Al-Hashimi, M.H.; Wiese, U.-J.

2012-01-01

We consider a 1-parameter family of self-adjoint extensions of the Hamiltonian for a particle confined to a finite interval with perfectly reflecting boundary conditions. In some cases, one obtains negative energy states which seem to violate the Heisenberg uncertainty relation. We use this as a motivation to derive a generalized uncertainty relation valid for an arbitrarily shaped quantum dot with general perfectly reflecting walls in d dimensions. In addition, a general uncertainty relation for non-Hermitian operators is derived and applied to the non-Hermitian momentum operator in a quantum dot. We also consider minimal uncertainty wave packets in this situation, and we prove that the spectrum depends monotonically on the self-adjoint extension parameter. In addition, we construct the most general boundary conditions for semiconductor heterostructures such as quantum dots, quantum wires, and quantum wells, which are characterized by a 4-parameter family of self-adjoint extensions. Finally, we consider perfectly reflecting boundary conditions for relativistic fermions confined to a finite volume or localized on a domain wall, which are characterized by a 1-parameter family of self-adjoint extensions in the (1+1)-d and (2+1)-d cases, and by a 4-parameter family in the (3+1)-d and (4+1)-d cases. - Highlights: ► Finite volume Heisenberg uncertainty relation. ► General self-adjoint extensions for relativistic fermions. ► New prospective for the problem of particle in a box.

Scalable Quantum Simulation of Molecular Energies

Directory of Open Access Journals (Sweden)

P. J. J. O’Malley

2016-07-01

Full Text Available We report the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation. We use a programmable array of superconducting qubits to compute the energy surface of molecular hydrogen using two distinct quantum algorithms. First, we experimentally execute the unitary coupled cluster method using the variational quantum eigensolver. Our efficient implementation predicts the correct dissociation energy to within chemical accuracy of the numerically exact result. Second, we experimentally demonstrate the canonical quantum algorithm for chemistry, which consists of Trotterization and quantum phase estimation. We compare the experimental performance of these approaches to show clear evidence that the variational quantum eigensolver is robust to certain errors. This error tolerance inspires hope that variational quantum simulations of classically intractable molecules may be viable in the near future.

Quantum key distribution without sending a quantum signal

International Nuclear Information System (INIS)

Ralph, T C; Walk, N

2015-01-01

Quantum Key Distribution is a quantum communication technique in which random numbers are encoded on quantum systems, usually photons, and sent from one party, Alice, to another, Bob. Using the data sent via the quantum signals, supplemented by classical communication, it is possible for Alice and Bob to share an unconditionally secure secret key. This is not possible if only classical signals are sent. While this last statement is a long standing result from quantum information theory it turns out only to be true in a non-relativistic setting. If relativistic quantum field theory is considered we show it is possible to distribute an unconditionally secure secret key without sending a quantum signal, instead harnessing the intrinsic entanglement between different regions of space–time. The protocol is practical in free space given horizon technology and might be testable in principle in the near term using microwave technology. (paper)

Relativistic decay widths of autoionization processes: The relativistic FanoADC-Stieltjes method

Energy Technology Data Exchange (ETDEWEB)

Fasshauer, Elke, E-mail: Elke.Fasshauer@uit.no [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø–The Arctic University of Norway, N-9037 Tromsø (Norway); Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany); Kolorenč, Přemysl [Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holešovičkách 2, 180 00 Prague (Czech Republic); Pernpointner, Markus [Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)

2015-04-14

Electronic decay processes of ionized systems are, for example, the Auger decay or the Interatomic/ Intermolecular Coulombic Decay. In both processes, an energetically low lying vacancy is filled by an electron of an energetically higher lying orbital and a secondary electron is instantaneously emitted to the continuum. Whether or not such a process occurs depends both on the energetic accessibility and the corresponding lifetime compared to the lifetime of competing decay mechanisms. We present a realization of the non-relativistically established FanoADC-Stieltjes method for the description of autoionization decay widths including relativistic effects. This procedure, being based on the Algebraic Diagrammatic Construction (ADC), was adapted to the relativistic framework and implemented into the relativistic quantum chemistry program package Dirac. It is, in contrast to other existing relativistic atomic codes, not limited to the description of autoionization lifetimes in spherically symmetric systems, but is instead also applicable to molecules and clusters. We employ this method to the Auger processes following the Kr3d{sup −1}, Xe4d{sup −1}, and Rn5d{sup −1} ionization. Based on the results, we show a pronounced influence of mainly scalar-relativistic effects on the decay widths of autoionization processes.

Magnetic polyoxometalates: from molecular magnetism to molecular spintronics and quantum computing.

Science.gov (United States)

Clemente-Juan, Juan M; Coronado, Eugenio; Gaita-Ariño, Alejandro

2012-11-21

In this review we discuss the relevance of polyoxometalate (POM) chemistry to provide model objects in molecular magnetism. We present several potential applications in nanomagnetism, in particular, in molecular spintronics and quantum computing.

Wigner expansions for partition functions of nonrelativistic and relativistic oscillator systems

Science.gov (United States)

Zylka, Christian; Vojta, Guenter

1993-01-01

The equilibrium quantum statistics of various anharmonic oscillator systems including relativistic systems is considered within the Wigner phase space formalism. For this purpose the Wigner series expansion for the partition function is generalized to include relativistic corrections. The new series for partition functions and all thermodynamic potentials yield quantum corrections in terms of powers of h(sup 2) and relativistic corrections given by Kelvin functions (modified Hankel functions) K(sub nu)(mc(sup 2)/kT). As applications, the symmetric Toda oscillator, isotonic and singular anharmonic oscillators, and hindered rotators, i.e. oscillators with cosine potential, are addressed.

A new perspective on relativistic transformation for Maxwell's equations of electrodynamics

International Nuclear Information System (INIS)

Huang, Y.-S.

2009-01-01

A new scheme for relativistic transformation of the electromagnetic fields is formulated through relativistic transformation in the wavevector space, instead of the space-time space. Maxwell's equations of electrodynamics are shown to be form-invariant among inertial frames in accordance with this new scheme of relativistic transformation. This new perspective on relativistic transformation not only fulfills the principle of relativity, but is also compatible with quantum theory.

Quantum Dot Platform for Single-Cell Molecular Profiling

Science.gov (United States)

Zrazhevskiy, Pavel S.

In-depth understanding of the nature of cell physiology and ability to diagnose and control the progression of pathological processes heavily rely on untangling the complexity of intracellular molecular mechanisms and pathways. Therefore, comprehensive molecular profiling of individual cells within the context of their natural tissue or cell culture microenvironment is essential. In principle, this goal can be achieved by tagging each molecular target with a unique reporter probe and detecting its localization with high sensitivity at sub-cellular resolution, primarily via microscopy-based imaging. Yet, neither widely used conventional methods nor more advanced nanoparticle-based techniques have been able to address this task up to date. High multiplexing potential of fluorescent probes is heavily restrained by the inability to uniquely match probes with corresponding molecular targets. This issue is especially relevant for quantum dot probes---while simultaneous spectral imaging of up to 10 different probes is possible, only few can be used concurrently for staining with existing methods. To fully utilize multiplexing potential of quantum dots, it is necessary to design a new staining platform featuring unique assignment of each target to a corresponding quantum dot probe. This dissertation presents two complementary versatile approaches towards achieving comprehensive single-cell molecular profiling and describes engineering of quantum dot probes specifically tailored for each staining method. Analysis of expanded molecular profiles is achieved through augmenting parallel multiplexing capacity with performing several staining cycles on the same specimen in sequential manner. In contrast to other methods utilizing quantum dots or other nanoparticles, which often involve sophisticated probe synthesis, the platform technology presented here takes advantage of simple covalent bioconjugation and non-covalent self-assembly mechanisms for straightforward probe

Notes on nonlocal projective measurements in relativistic systems

International Nuclear Information System (INIS)

Lin, Shih-Yuin

2014-01-01

In quantum mechanical bipartite systems, naive extensions of von Neumann’s projective measurement to nonlocal variables can produce superluminal signals and thus violate causality. We analyze the projective quantum nondemolition state-verification in a two-spin system and see how the projection introduces nonlocality without entanglement. For the ideal measurements of “R-nonlocal” variables, we argue that causality violation can be resolved by introducing further restrictions on the post-measurement states, which makes the measurement “Q-nonlocal”. After we generalize these ideas to quantum mechanical harmonic oscillators, we look into the projective measurements of the particle number of a single mode or a wave-packet of a relativistic quantum field in Minkowski space. It turns out that the causality-violating terms in the expectation values of the local operators, generated either by the ideal measurement of the “R-nonlocal” variable or the quantum nondemolition verification of a Fock state, are all suppressed by the IR and UV cutoffs of the theory. Thus relativistic quantum field theories with such projective measurements are effectively causal

Nonequilibrium quantum field theories

International Nuclear Information System (INIS)

Niemi, A.J.

1988-01-01

Combining the Feynman-Vernon influence functional formalism with the real-time formulation of finite-temperature quantum field theories we present a general approach to relativistic quantum field theories out of thermal equilibrium. We clarify the physical meaning of the additional fields encountered in the real-time formulation of quantum statistics and outline diagrammatic rules for perturbative nonequilibrium computations. We derive a generalization of Boltzmann's equation which gives a complete characterization of relativistic nonequilibrium phenomena. (orig.)

Optical analogue of relativistic Dirac solitons in binary waveguide arrays

Energy Technology Data Exchange (ETDEWEB)

Tran, Truong X., E-mail: truong.tran@mpl.mpg.de [Department of Physics, Le Quy Don University, 236 Hoang Quoc Viet str., 10000 Hanoi (Viet Nam); Max Planck Institute for the Science of Light, Günther-Scharowsky str. 1, 91058 Erlangen (Germany); Longhi, Stefano [Department of Physics, Politecnico di Milano and Istituto di Fotonica e Nanotecnologie del Consiglio Nazionale delle Ricerche, Piazza L. da Vinci 32, I-20133 Milano (Italy); Biancalana, Fabio [Max Planck Institute for the Science of Light, Günther-Scharowsky str. 1, 91058 Erlangen (Germany); School of Engineering and Physical Sciences, Heriot-Watt University, EH14 4AS Edinburgh (United Kingdom)

2014-01-15

We study analytically and numerically an optical analogue of Dirac solitons in binary waveguide arrays in the presence of Kerr nonlinearity. Pseudo-relativistic soliton solutions of the coupled-mode equations describing dynamics in the array are analytically derived. We demonstrate that with the found soliton solutions, the coupled mode equations can be converted into the nonlinear relativistic 1D Dirac equation. This paves the way for using binary waveguide arrays as a classical simulator of quantum nonlinear effects arising from the Dirac equation, something that is thought to be impossible to achieve in conventional (i.e. linear) quantum field theory. -- Highlights: •An optical analogue of Dirac solitons in nonlinear binary waveguide arrays is suggested. •Analytical solutions to pseudo-relativistic solitons are presented. •A correspondence of optical coupled-mode equations with the nonlinear relativistic Dirac equation is established.

Relativistic Many-Body Theory A New Field-Theoretical Approach

CERN Document Server

Lindgren, Ingvar

2011-01-01

Relativistic Many-Body Theory treats — for the first time — the combination of relativistic atomic many-body theory with quantum-electrodynamics (QED) in a unified manner. This book can be regarded as a continuation of the book by Lindgren and Morrison, Atomic Many-Body Theory (Springer 1986), which deals with the non-relativistic theory of many-electron systems, describing several means of treating the electron correlation to essentially all orders of perturbation theory. The treatment of the present book is based upon quantum-field theory, and demonstrates that when the procedure is carried to all orders of perturbation theory, two-particle systems are fully compatible with the relativistically covariant Bethe-Salpeter equation. This procedure can be applied to arbitrary open-shell systems, in analogy with the standard many-body theory, and it is also applicable to systems with more than two particles. Presently existing theoretical procedures for treating atomic systems are, in several cases, insuffici...

Local supersymmetry in non-relativistic systems

International Nuclear Information System (INIS)

Urrutia, L.F.; Zanelli, J.

1989-10-01

Classical and quantum non-relativistic interacting systems invariant under local supersymmetry are constructed by the method of taking square roots of the bosonic constraints which generate timelike reparametrization, leaving the action unchanged. In particular, the square root of the Schroedinger constraint is shown to be the non-relativistic limit of the Dirac constraint. Contact is made with the standard models of Supersymmetric Quantum Mechanics through the reformulation of the locally invariant systems in terms of their true degrees of freedom. Contrary to the field theory case, it is shown that the locally invariant systems are completely equivalent to the corresponding globally invariant ones, the latter being the Heisenberg picture description of the former, with respect to some fermionic time. (author). 14 refs

Geometro-stochastic locality in quantum spacetime and quantum diffusions

International Nuclear Information System (INIS)

Prugovecki, E.

1991-01-01

The issue of the intrinsic nonlocality of quantum mechanics raised by J.S. Bell is examined from the point of view of the recently developed method of geometro-stochastic quantization and its applications to general relativistic quantum theory. This analysis reveals that a distinction should be made between the topological concept of locality used in formulating relativistic causality and a type of geometric locality based on the concept of fiber bundle, which can be used in extending the strong equivalence principle to the quantum domain. Both play an essential role in formulating a notion of geometro-stochastic propagation based on quantum diffusions, which throws new light on the EPR paradox, on the origin of the arrow of time, and on other fundamental issues in quantum cosmology and the theory of measurement

Electron acoustic waves and parametric instabilities in a 4-component relativistic quantum plasma with Thomas-Fermi distributed electrons

Science.gov (United States)

Ikramullah, Ahmad, Rashid; Sharif, Saqib; Khattak, Fida Younus

2018-01-01

The interaction of Circularly Polarized Electro-Magnetic (CPEM) waves with a 4-component relativistic quantum plasma is studied. The plasma constituents are: relativistic-degenerate electrons and positrons, dynamic degenerate ions, and Thomas-Fermi distributed electrons in the background. We have employed the Klein-Gordon equations for the electrons as well as for the positrons, while the ions are represented by the Schrödinger equation. The Maxwell and Poisson equations are used for electromagnetic waves. Three modes are observed: one of the modes is associated with the electron acoustic wave, a second mode at frequencies greater than the electron acoustic wave mode could be associated with the positrons, and the third one at the lowest frequencies could be associated with the ions. Furthermore, Stimulated Raman Scattering (SRS), Modulational, and Stimulated Brillouin Scattering (SBS) instabilities are studied. It is observed that the growth rates of both the SRS and SBS instabilities decrease with increase in the quantum parameter of the plasma. It is also observed that the scattering spectra in both the SRS and SBS get restricted to very small wavenumber regions. It is shown that for low amplitude CPEM wave interaction with the quantum plasma, the positron concentration has no effect on the SRS and SBS spectra. In the case of large amplitude CPEM wave interaction, however, one observes spectral changes with varying positron concentrations. An increase in the positron concentration also enhances the scattering instability growth rates. Moreover, the growth rate first increases and then decreases with increasing intensity of the CPEM wave, indicating an optimum value of the CPEM wave intensity for the growth of these scattering instabilities. The modulational instability also shows dependence on the quantum parameter as well as on the positron concentration.

Geometric Aspects of Quantum Mechanics and Quantum Entanglement

International Nuclear Information System (INIS)

Chruscinski, Dariusz

2006-01-01

It is shown that the standard non-relativistic Quantum Mechanics gives rise to elegant and rich geometrical structures. The space of quantum states is endowed with nontrivial Fubini-Study metric which is responsible for the 'peculiarities' of the quantum world. We show that there is also intricate connection between geometrical structures and quantum entanglement

Quantum decoherence of phonons in Bose-Einstein condensates

Science.gov (United States)

Howl, Richard; Sabín, Carlos; Hackermüller, Lucia; Fuentes, Ivette

2018-01-01

We apply modern techniques from quantum optics and quantum information science to Bose-Einstein condensates (BECs) in order to study, for the first time, the quantum decoherence of phonons of isolated BECs. In the last few years, major advances in the manipulation and control of phonons have highlighted their potential as carriers of quantum information in quantum technologies, particularly in quantum processing and quantum communication. Although most of these studies have focused on trapped ion and crystalline systems, another promising system that has remained relatively unexplored is BECs. The potential benefits in using this system have been emphasized recently with proposals of relativistic quantum devices that exploit quantum states of phonons in BECs to achieve, in principle, superior performance over standard non-relativistic devices. Quantum decoherence is often the limiting factor in the practical realization of quantum technologies, but here we show that quantum decoherence of phonons is not expected to heavily constrain the performance of these proposed relativistic quantum devices.

Theory and application of quantum molecular dynamics

CERN Document Server

Zeng Hui Zhang, John

1999-01-01

This book provides a detailed presentation of modern quantum theories for treating the reaction dynamics of small molecular systems. Its main focus is on the recent development of successful quantum dynamics theories and computational methods for studying the molecular reactive scattering process, with specific applications given in detail for a number of benchmark chemical reaction systems in the gas phase and the gas surface. In contrast to traditional books on collision in physics focusing on abstract theory for nonreactive scattering, this book deals with both the development and the appli

Second quantization of a covariant relativistic spacetime string in Steuckelberg-Horwitz-Piron theory

Science.gov (United States)

Suleymanov, Michael; Horwitz, Lawrence; Yahalom, Asher

2017-06-01

A relativistic 4D string is described in the framework of the covariant quantum theory first introduced by Stueckelberg [ Helv. Phys. Acta 14, 588 (1941)], and further developed by Horwitz and Piron [ Helv. Phys. Acta 46, 316 (1973)], and discussed at length in the book of Horwitz [Relativistic Quantum Mechanics, Springer (2015)]. We describe the space-time string using the solutions of relativistic harmonic oscillator [ J. Math. Phys. 30, 66 (1989)]. We first study the problem of the discrete string, both classically and quantum mechanically, and then turn to a study of the continuum limit, which contains a basically new formalism for the quantization of an extended system. The mass and energy spectrum are derived. Some comparison is made with known string models.

Relativistic collective diffusion in one-dimensional systems

Science.gov (United States)

Lin, Gui-Wu; Lam, Yu-Yiu; Zheng, Dong-Qin; Zhong, Wei-Rong

2018-05-01

The relativistic collective diffusion in one-dimensional molecular system is investigated through nonequilibrium molecular dynamics with Monte Carlo methods. We have proposed the relationship among the speed, the temperature, the density distribution and the collective diffusion coefficient of particles in a relativistic moving system. It is found that the relativistic speed of the system has no effect on the temperature, but the collective diffusion coefficient decreases to zero as the velocity of the system approaches to the speed of light. The collective diffusion coefficient is modified as D‧ = D(1 ‑w2 c2 )3 2 for satisfying the relativistic circumstances. The present results may contribute to the understanding of the behavior of the particles transport diffusion in a high speed system, as well as enlighten the study of biological metabolism at relativistic high speed situation.

The Grover energy transfer algorithm for relativistic speeds

International Nuclear Information System (INIS)

Garcia-Escartin, Juan Carlos; Chamorro-Posada, Pedro

2010-01-01

Grover's algorithm for quantum search can also be applied to classical energy transfer. The procedure takes a system in which the total energy is equally distributed among N subsystems and transfers most of it to one marked subsystem. We show that in a relativistic setting the efficiency of this procedure can be improved. We will consider the transfer of relativistic kinetic energy in a series of elastic collisions. In this case, the number of steps of the energy transfer procedure approaches 1 as the initial velocities of the objects become closer to the speed of light. This is a consequence of introducing nonlinearities in the procedure. However, the maximum attainable transfer will depend on the particular combination of speed and number of objects. In the procedure, we will use N elements, as in the classical non-relativistic case, instead of the log 2 (N) states of the quantum algorithm.

Comparison of different boost transformations for the calculation of form factors in relativistic quantum mechanics

International Nuclear Information System (INIS)

Theussl, L.; Noguera, S.; Amghar, A.; Desplanques, B.

2003-01-01

The effect of different boost expressions, pertinent to the instant, front and point forms of relativistic quantum mechanics, is considered for the calculation of the ground-state form factor of a two-body system in simple scalar models. Results with a Galilean boost as well as an explicitly covariant calculation based on the Bethe-Salpeter approach are given for comparison. It is found that the present so-called point-form calculations of form factors strongly deviate from all the other ones. This suggests that the formalism which underlies them requires further elaboration. A proposition in this sense is made. (author)

Larmor precession and dwell time of a relativistic particle scattered by a rectangular quantum well

CERN Document Server

Li, Z J; Liang, J J; Liang, J Q

2003-01-01

The Larmor precession of a relativistic neutral spin particle in a uniform constant magnetic field confined to the region of a one-dimensional rectangular potential well is investigated. The spin precession serves as a clock to measure the time spent by a quantum particle dwelling at a potential well. With the help of a general spin coherent state it is explicitly shown that the spin precession time is equal to the dwell time in the first-order approximation of the infinitesimal field limit. The comparison of the time in a potential well with that in free space shows apparent superluminality.

In search of a primitive ontology for relativistic quantum field theory

Energy Technology Data Exchange (ETDEWEB)

Lam, Vincent [University of Lausanne, CH-1015 Lausanne (Switzerland)

2014-07-01

There is a recently much discussed approach to the ontology of quantum mechanics according to which the theory is ultimately about entities in 3-dimensional space and their temporal evolution. Such an ontology postulating from the start matter localized in usual physical space or spacetime, by contrast to an abstract high-dimensional space such as the configuration space of wave function realism, is called primitive ontology in the recent literature on the topic and finds its roots in Bell's notion of local beables. The main motivation for a primitive ontology lies in its explanatory power: the primitive ontology allows for a direct account of the behaviour and properties of familiar macroscopic objects. In this context, it is natural to look for a primitive ontology for relativistic quantum field theory (RQFT). The aim of this talk is to critically discuss this interpretative move within RQFT, in particular with respect to the foundational issue of the existence of unitarily inequivalent representations. Indeed the proposed primitive ontologies for RQFT rely either on a Fock space representation or a wave functional representation, which are strictly speaking only unambiguously available for free systems in flat spacetime. As a consequence, it is argued that these primitive ontologies constitute only effective ontologies and are hardly satisfying as a fundamental ontology for RQFT.

Angular analyses in relativistic quantum mechanics; Analyses angulaires en mecanique quantique relativiste

Energy Technology Data Exchange (ETDEWEB)

Moussa, P [Commissariat a l' Energie Atomique, 91 - Saclay (France). Centre d' Etudes Nucleaires

1968-06-01

This work describes the angular analysis of reactions between particles with spin in a fully relativistic fashion. One particle states are introduced, following Wigner's method, as representations of the inhomogeneous Lorentz group. In order to perform the angular analyses, the reduction of the product of two representations of the inhomogeneous Lorentz group is studied. Clebsch-Gordan coefficients are computed for the following couplings: l-s coupling, helicity coupling, multipolar coupling, and symmetric coupling for more than two particles. Massless and massive particles are handled simultaneously. On the way we construct spinorial amplitudes and free fields; we recall how to establish convergence theorems for angular expansions from analyticity hypothesis. Finally we substitute these hypotheses to the idea of 'potential radius', which gives at low energy the usual 'centrifugal barrier' factors. The presence of such factors had never been deduced from hypotheses compatible with relativistic invariance. (author) [French] On decrit un formalisme permettant de tenir compte de l'invariance relativiste, dans l'analyse angulaire des amplitudes de reaction entre particules de spin quelconque. Suivant Wigner, les etats a une particule sont introduits a l'aide des representations du groupe de Lorentz inhomogene. Pour effectuer les analyses angulaires, on etudie la reduction du produit de deux representations du groupe de Lorentz inhomogene. Les coefficients de Clebsch-Gordan correspondants sont calcules dans les couplages suivants: couplage l-s couplage d'helicite, couplage multipolaire, couplage symetrique pour plus de deux particules. Les particules de masse nulle et de masse non nulle sont traitees simultanement. Au passage, on introduit les amplitudes spinorielles et on construit les champs libres, on rappelle comment des hypotheses d'analyticite permettent d'etablir des theoremes de convergence pour les developpements angulaires. Enfin on fournit un substitut a la

Quantum and semiclassical spin networks: from atomic and molecular physics to quantum computing and gravity

Science.gov (United States)

Aquilanti, Vincenzo; Bitencourt, Ana Carla P.; Ferreira, Cristiane da S.; Marzuoli, Annalisa; Ragni, Mirco

2008-11-01

The mathematical apparatus of quantum-mechanical angular momentum (re)coupling, developed originally to describe spectroscopic phenomena in atomic, molecular, optical and nuclear physics, is embedded in modern algebraic settings which emphasize the underlying combinatorial aspects. SU(2) recoupling theory, involving Wigner's 3nj symbols, as well as the related problems of their calculations, general properties, asymptotic limits for large entries, nowadays plays a prominent role also in quantum gravity and quantum computing applications. We refer to the ingredients of this theory—and of its extension to other Lie and quantum groups—by using the collective term of 'spin networks'. Recent progress is recorded about the already established connections with the mathematical theory of discrete orthogonal polynomials (the so-called Askey scheme), providing powerful tools based on asymptotic expansions, which correspond on the physical side to various levels of semi-classical limits. These results are useful not only in theoretical molecular physics but also in motivating algorithms for the computationally demanding problems of molecular dynamics and chemical reaction theory, where large angular momenta are typically involved. As for quantum chemistry, applications of these techniques include selection and classification of complete orthogonal basis sets in atomic and molecular problems, either in configuration space (Sturmian orbitals) or in momentum space. In this paper, we list and discuss some aspects of these developments—such as for instance the hyperquantization algorithm—as well as a few applications to quantum gravity and topology, thus providing evidence of a unifying background structure.

Quantum mechanical analysis on faujasite-type molecular sieves by using fermi dirac statistics and quantum theory of dielectricity

International Nuclear Information System (INIS)

Jabeen, S.; Raza, S.M.; Ahmed, M.A.; Zai, M.Y.; Akbar, S.; Jafri, Y.Z.

2012-01-01

We studied Faujasite type molecular sieves by using Fermi Dirac statistics and the quantum theory of dielectricity. We developed an empirical relationship for quantum capacitance which follows an inverse Gaussian profile in the frequency range of 66 Hz - 3 MHz. We calculated quantum capacitance, sample crystal momentum, charge quantization and quantized energy of Faujasite type molecular sieves in the frequency range of 0.1 Hz - 10/sup 4/ MHz. Our calculations for diameter of sodalite and super-cages of Faujasite type molecular sieves are in agreement with experimental results reported in this manuscript. We also calculated quantum polarizability, quantized molecular field, orientational polarizability and deformation polarizability by using experimental results of Ligia Frunza etal. The phonons are over damped in the frequency range 0.1 Hz - 10 kHz and become a source for producing cages in the Faujasite type molecular sieves. Ion exchange recovery processes occur due to over damped phonon excitations in Faujasite type molecular sieves and with increasing temperatures. (author)

Microwave quantum logic spectroscopy and control of molecular ions

DEFF Research Database (Denmark)

Shi, M.; F. Herskind, P.; Drewsen, M.

2013-01-01

the rotational state of a molecular ion and the electronic state of an atomic ion. In this setting, the atomic ion is used for read-out of the molecular ion state, in a manner analogous to quantum logic spectroscopy based on Raman transitions. In addition to high-precision spectroscopy, this setting allows...... for rotational ground state cooling, and can be considered as a candidate for the quantum information processing with polar molecular ions. All elements of our proposal can be realized with currently available technology....

The Grover energy transfer algorithm for relativistic speeds

Energy Technology Data Exchange (ETDEWEB)

Garcia-Escartin, Juan Carlos; Chamorro-Posada, Pedro, E-mail: juagar@yllera.tel.uva.e [Dpto. de TeorIa de la Senal y Comunicaciones e Ingenieria Telematica, Universidad de Valladolid, ETSI de Telecomunicacion, Campus Miguel Delibes, Paseo Belen 15, 47011 Valladolid (Spain)

2010-11-12

Grover's algorithm for quantum search can also be applied to classical energy transfer. The procedure takes a system in which the total energy is equally distributed among N subsystems and transfers most of it to one marked subsystem. We show that in a relativistic setting the efficiency of this procedure can be improved. We will consider the transfer of relativistic kinetic energy in a series of elastic collisions. In this case, the number of steps of the energy transfer procedure approaches 1 as the initial velocities of the objects become closer to the speed of light. This is a consequence of introducing nonlinearities in the procedure. However, the maximum attainable transfer will depend on the particular combination of speed and number of objects. In the procedure, we will use N elements, as in the classical non-relativistic case, instead of the log{sub 2}(N) states of the quantum algorithm.

Quantum optical emulation of molecular vibronic spectroscopy using a trapped-ion device.

Science.gov (United States)

Shen, Yangchao; Lu, Yao; Zhang, Kuan; Zhang, Junhua; Zhang, Shuaining; Huh, Joonsuk; Kim, Kihwan

2018-01-28

Molecules are one of the most demanding quantum systems to be simulated by quantum computers due to their complexity and the emergent role of quantum nature. The recent theoretical proposal of Huh et al. (Nature Photon., 9, 615 (2015)) showed that a multi-photon network with a Gaussian input state can simulate a molecular spectroscopic process. Here, we present the first quantum device that generates a molecular spectroscopic signal with the phonons in a trapped ion system, using SO 2 as an example. In order to perform reliable Gaussian sampling, we develop the essential experimental technology with phonons, which includes the phase-coherent manipulation of displacement, squeezing, and rotation operations with multiple modes in a single realization. The required quantum optical operations are implemented through Raman laser beams. The molecular spectroscopic signal is reconstructed from the collective projection measurements for the two-phonon-mode. Our experimental demonstration will pave the way to large-scale molecular quantum simulations, which are classically intractable, but would be easily verifiable by real molecular spectroscopy.

Non-destructive state detection for quantum logic spectroscopy of molecular ions.

Science.gov (United States)

Wolf, Fabian; Wan, Yong; Heip, Jan C; Gebert, Florian; Shi, Chunyan; Schmidt, Piet O

2016-02-25

Precision laser spectroscopy of cold and trapped molecular ions is a powerful tool in fundamental physics--used, for example, in determining fundamental constants, testing for their possible variation in the laboratory, and searching for a possible electric dipole moment of the electron. However, the absence of cycling transitions in molecules poses a challenge for direct laser cooling of the ions, and for controlling and detecting their quantum states. Previously used state-detection techniques based on photodissociation or chemical reactions are destructive and therefore inefficient, restricting the achievable resolution in laser spectroscopy. Here, we experimentally demonstrate non-destructive detection of the quantum state of a single trapped molecular ion through its strong Coulomb coupling to a well controlled, co-trapped atomic ion. An algorithm based on a state-dependent optical dipole force changes the internal state of the atom according to the internal state of the molecule. We show that individual quantum states in the molecular ion can be distinguished by the strength of their coupling to the optical dipole force. We also observe quantum jumps (induced by black-body radiation) between rotational states of a single molecular ion. Using the detuning dependence of the state-detection signal, we implement a variant of quantum logic spectroscopy of a molecular resonance. Our state-detection technique is relevant to a wide range of molecular ions, and could be applied to state-controlled quantum chemistry and to spectroscopic investigations of molecules that serve as probes for interstellar clouds.

Relativistic quantum thermodynamics of ideal gases in two dimensions.

Science.gov (United States)

Blas, H; Pimentel, B M; Tomazelli, J L

1999-11-01

In this work we study the behavior of relativistic ideal Bose and Fermi gases in two space dimensions. Making use of polylogarithm functions we derive a closed and unified expression for their densities. It is shown that both type of gases are essentially inequivalent, and only in the non-relativistic limit the spinless and equal mass Bose and Fermi gases are equivalent as known in the literature.

Relativistic Quantum Thermodynamics of Ideal Gases in 2 Dimensions

OpenAIRE

Blas, H.; Pimentel, B. M.; Tomazelli, J. L.

1999-01-01

In this work we study the behavior of relativistic ideal Bose and Fermi gases in two space dimensions. Making use of polylogarithm functions we derive a closed and unified expression for their densities. It is shown that both type of gases are essentially inequivalent, and only in the non-relativistic limit the spinless and equal mass Bose and Fermi gases are equivalent as known in the literature.

Relativistic treatment of fermion-antifermion bound states

International Nuclear Information System (INIS)

Lucha, W.; Rupprecht, H.; Schoeberl, F.F.

1990-01-01

We discuss the relativistic treatment of fermion-antifermion bound states by an effective-Hamiltonian method which imitates their description in terms of nonrelativistic potential models: the effective interaction potential, to be used in a Schroedinger equation which incorporates relativistic kinematics, is derived from the underlying quantum field theory. This approach is equivalent to the instantaneous approximation to the Bethe-Salpeter equation called Salpeter equation but comes closer to physical intuition than the latter one. (Author) 14 refs

A molecular quantum spin network controlled by a single qubit.

Science.gov (United States)

Schlipf, Lukas; Oeckinghaus, Thomas; Xu, Kebiao; Dasari, Durga Bhaktavatsala Rao; Zappe, Andrea; de Oliveira, Felipe Fávaro; Kern, Bastian; Azarkh, Mykhailo; Drescher, Malte; Ternes, Markus; Kern, Klaus; Wrachtrup, Jörg; Finkler, Amit

2017-08-01

Scalable quantum technologies require an unprecedented combination of precision and complexity for designing stable structures of well-controllable quantum systems on the nanoscale. It is a challenging task to find a suitable elementary building block, of which a quantum network can be comprised in a scalable way. We present the working principle of such a basic unit, engineered using molecular chemistry, whose collective control and readout are executed using a nitrogen vacancy (NV) center in diamond. The basic unit we investigate is a synthetic polyproline with electron spins localized on attached molecular side groups separated by a few nanometers. We demonstrate the collective readout and coherent manipulation of very few (≤ 6) of these S = 1/2 electronic spin systems and access their direct dipolar coupling tensor. Our results show that it is feasible to use spin-labeled peptides as a resource for a molecular qubit-based network, while at the same time providing simple optical readout of single quantum states through NV magnetometry. This work lays the foundation for building arbitrary quantum networks using well-established chemistry methods, which has many applications ranging from mapping distances in single molecules to quantum information processing.

Relativistic transformation law of quantum fields: A slight generalization consistent with the equivalence of all Lorentz frames

International Nuclear Information System (INIS)

Ingraham, R.L.

1985-01-01

The well-known relativistic transformation law of quantum fields satisfies the relativity principle, which asserts the complete equivalence of all Lorentz (inertial) frames as far as physical measurements go. We point out a slight generalization which is allowed by the relativity principle, but violates a further, tacit assumption usually made in connection with it but which is actually logically independent of it and subject to a feasible experimental test. The interest of the generalization is that it permits the incorporation of an ultraviolet cutoff in a simple, direct way which avoids the usual difficulties

Equivalence principle and quantum mechanics: quantum simulation with entangled photons.

Science.gov (United States)

Longhi, S

2018-01-15

Einstein's equivalence principle (EP) states the complete physical equivalence of a gravitational field and corresponding inertial field in an accelerated reference frame. However, to what extent the EP remains valid in non-relativistic quantum mechanics is a controversial issue. To avoid violation of the EP, Bargmann's superselection rule forbids a coherent superposition of states with different masses. Here we suggest a quantum simulation of non-relativistic Schrödinger particle dynamics in non-inertial reference frames, which is based on the propagation of polarization-entangled photon pairs in curved and birefringent optical waveguides and Hong-Ou-Mandel quantum interference measurement. The photonic simulator can emulate superposition of mass states, which would lead to violation of the EP.

Quantum hadrodynamics

International Nuclear Information System (INIS)

Serot, B.D.

1992-01-01

It is therefore essential to develop reliable nuclear models that go beyond the traditional non-relativistic many-body framework. The arguments for renormalizable models based on hadronic degrees of freedom (quantum hadrodynamics) are presented, and the assumptions underlying this framework are discussed. The Walecka model, which contains neutrons, protons, and neutral scalar and vector mesons, is considered first as a simple example. The development is based on the relativistic mean-field and Hartree approximations, and their application to infinite matter and atomic nuclei. Some successes of this model are discussed, such as the nuclear equation of state, the derivation of the shell model, the prediction of nuclear properties throughout the periodic table, and the inclusion of zero-point vacuum corrections. The important concepts of Lorentz covariance and self-consistency are emphasized and the new dynamical features that arise in a relativistic many-body framework are highlighted. The computation of isoscalar magnetic moments is presented as an illustrative example. Calculations beyond the relativistic mean-field and Hartree approximations (for example, Dirac-Hartree-Fock and Dirac-Brueckner) are considered next, as well as recent efforts to incorporate the full role of the quantum vacuum in a consistent fashion. An extended model containing isovector pi and rho mesons is then developed; the dynamics is based on the chirally invariant linear sigma model. The difficulties in constructing realistic chiral descriptions of nuclear matter and nuclei are analysed, and the connection between the sigma model and the Walecka model is established. Finally, the relationship between quantum hadrodynamics and quantum chromodynamics is briefly addressed. (Author)

Transient Evolutional Dynamics of Quantum-Dot Molecular Phase Coherence for Sensitive Optical Switching

Science.gov (United States)

Shen, Jian Qi; Gu, Jing

2018-04-01

Atomic phase coherence (quantum interference) in a multilevel atomic gas exhibits a number of interesting phenomena. Such an atomic quantum coherence effect can be generalized to a quantum-dot molecular dielectric. Two quantum dots form a quantum-dot molecule, which can be described by a three-level Λ-configuration model { |0> ,|1> ,|2> } , i.e., the ground state of the molecule is the lower level |0> and the highly degenerate electronic states in the two quantum dots are the two upper levels |1> ,|2> . The electromagnetic characteristics due to the |0>-|1> transition can be controllably manipulated by a tunable gate voltage (control field) that drives the |2>-|1> transition. When the gate voltage is switched on, the quantum-dot molecular state can evolve from one steady state (i.e., |0>-|1> two-level dressed state) to another steady state (i.e., three-level coherent-population-trapping state). In this process, the electromagnetic characteristics of a quantum-dot molecular dielectric, which is modified by the gate voltage, will also evolve. In this study, the transient evolutional behavior of the susceptibility of a quantum-dot molecular thin film and its reflection spectrum are treated by using the density matrix formulation of the multilevel systems. The present field-tunable and frequency-sensitive electromagnetic characteristics of a quantum-dot molecular thin film, which are sensitive to the applied gate voltage, can be utilized to design optical switching devices.

Relativistic mechanics of two interacting particles and bilocal theory

International Nuclear Information System (INIS)

Takabayasi, Takehiko

1975-01-01

New relativistic mechanics of two-particle system is set forth, where the two constituent particles are interacting by an arbitrary (central) action-at-a-distance. The fundamental equations are presented in a form covariant under general transformation of parameters parametrizing the world lines of constituent particles. The theory represents the proper relativistic generalization of the usual Newtonian mechanics in the sense that it tends in the non-relativistic (and weak interaction) limit to the usual mechanics of two particles moving under a corresponding non-relativistic potential. For the analysis of theory it is convenient to choose a certain particular gauge (i.e., parametrization) fixed by two gauge relations. This brings the theory to a canonical formalism accompanied by two weak equations, and in this gauge quantization can be performed. The result verifies that the relativistic quantum mechanics for two particles interacting by an action-at-a-distance is just represented by a bilocal wave equation and a subsidiary condition, with the clarification of its correspondence-theoretical foundation and internal dynamics. As an example the case of Hooke-type force is illustrated, where the internal motions are elliptic oscillations in the center-of-mass frame. Its quantum theory just reproduces the original form of bilocal theory giving bound states lying on a straightly rising trajectory and on its daughter trajectories. (auth.)

Quantum chemical approaches: semiempirical molecular orbital and hybrid quantum mechanical/molecular mechanical techniques.

Science.gov (United States)

Bryce, Richard A; Hillier, Ian H

2014-01-01

The use of computational quantum chemical methods to aid drug discovery is surveyed. An overview of the various computational models spanning ab initio, density function theory, semiempirical molecular orbital (MO), and hybrid quantum mechanical (QM)/molecular mechanical (MM) methods is given and their strengths and weaknesses are highlighted, focussing on the challenge of obtaining the accuracy essential for them to make a meaningful contribution to drug discovery. Particular attention is given to hybrid QM/MM and semiempirical MO methods which have the potential to yield the necessary accurate predictions of macromolecular structure and reactivity. These methods are shown to have advanced the study of many aspects of substrate-ligand interactions relevant to drug discovery. Thus, the successful parametrization of semiempirical MO methods and QM/MM methods can be used to model noncovalent substrate-protein interactions, and to lead to improved scoring functions. QM/MM methods can be used in crystal structure refinement and are particularly valuable for modelling covalent protein-ligand interactions and can thus aid the design of transition state analogues. An extensive collection of examples from the areas of metalloenzyme structure, enzyme inhibition, and ligand binding affinities and scoring functions are used to illustrate the power of these techniques.

Non-relativistic and relativistic quantum kinetic equations in nuclear physics

International Nuclear Information System (INIS)

Botermans, W.M.M.

1989-01-01

In this thesis an attempt is made to draw up a quantummechanical tranport equation for the explicit calculation oof collision processes between two (heavy) ions, by making proper approaches of the exact equations (non-rel.: N-particles Schroedinger equation; rel.: Euler-Lagrange field equations.). An important starting point in the drag-up of the theory is the behaviour of nuclear matter in equilibrium which is determined by individual as well as collective effects. The central point in this theory is the effective interaction between two nucleons both surrounded by other nucleons. In the derivation of the tranport equations use is made of the green's function formalism as developed by Schwinger and Keldys. For the Green's function kinematic equations are drawn up and are solved by choosing a proper factorization of three- and four-particle Green's functions in terms of one- and two-particle Green's functions. The necessary boundary condition is obtained by explicitly making use of Boltzmann's assumption that colliding particles are statistically uncorrelated. Finally a transport equation is obtained in which the mean field as well as the nucleon-nucleon collisions are given by the same (medium dependent) interaction. This interaction is the non-equilibrium extension of the interaction as given in the Brueckner theory of nuclear matter. Together, kinetic equation and interaction, form a self-consistent set of equations for the case of a non-relativistic as well as for the case of a relativistic starting point. (H.W.) 148 refs.; 6 figs.; 411 schemes

Finite pt contribution to relativistic Coulomb excitation: A possible explanation for the clean fission puzzle

International Nuclear Information System (INIS)

Galetti, D.; Kodama, T.; Nemes, M.C.

1986-10-01

The quantum relativistic Coulomb excitation process including reccil effects is studied in the plane wave Born approximation. Quantum and relativistic recoil effects allow for relatively large transverse momentum transfers, usually neglected. This specific feature is shown to modify the angular distribution of Coulomb induced fission fragmentation in an essential manner. In contrast with usual treatments it is found that these results compare favourably with recent data. (Authors) [pt

Thermodynamics of quantum strings

CERN Document Server

Morgan, M J

1994-01-01

A statistical mechanical analysis of an ideal gas of non-relativistic quantum strings is presented, in which the thermodynamic properties of the string gas are calculated from a canonical partition function. This toy model enables students to gain insight into the thermodynamics of a simple 'quantum field' theory, and provides a useful pedagogical introduction to the more complicated relativistic string theories. A review is also given of the thermodynamics of the open bosonic string gas and the type I (open) superstring gas. (author)

Quantum parameter estimation in the Unruh–DeWitt detector model

Energy Technology Data Exchange (ETDEWEB)

Hao, Xiang, E-mail: xhao@phas.ubc.ca [School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou, Jiangsu 215011 (China); Pacific Institute of Theoretical Physics, Department of Physics and Astronomy, University of British Columbia, 6224 Agriculture Rd., Vancouver B.C., Canada V6T 1Z1 (Canada); Wu, Yinzhong [School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou, Jiangsu 215011 (China)

2016-09-15

Relativistic effects on the precision of quantum metrology for particle detectors, such as two-level atoms are studied. The quantum Fisher information is used to estimate the phase sensitivity of atoms in non-inertial motions or in gravitational fields. The Unruh–DeWitt model is applicable to the investigation of the dynamics of a uniformly accelerated atom weakly coupled to a massless scalar vacuum field. When a measuring device is in the same relativistic motion as the atom, the dynamical behavior of quantum Fisher information as a function of Rindler proper time is obtained. It is found out that monotonic decrease in phase sensitivity is characteristic of dynamics of relativistic quantum estimation. The origin of the decay of quantum Fisher information is the thermal bath that the accelerated detector finds itself in due to the Unruh effect. To improve relativistic quantum metrology, we reasonably take into account two reflecting plane boundaries perpendicular to each other. The presence of the reflecting boundary can shield the detector from the thermal bath in some sense.

Contribution of relativistic quantum chemistry to electron’s electric dipole moment for CP violation

Energy Technology Data Exchange (ETDEWEB)

Abe, M., E-mail: minoria@tmu.ac.jp; Gopakumar, G., E-mail: gopakumargeetha@gmail.com; Hada, M., E-mail: hada@tmu.ac.jp [Tokyo Metropolitan University, 1-1, Minami-Osawa, Hachioji-city, Tokyo 192-0397 (Japan); JST, CREST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Das, B. P., E-mail: das@iiap.ernet.in [Indian Institute of Astrophysics, Bangalore 560 034 (India); Tatewaki, H., E-mail: htatewak@nsc.nagoya-cu.ac.jp [Graduate School of Natural Sciences, Nagoya City University, Nagoya, Aichi 467-8501 (Japan); Mukherjee, D., E-mail: pcdm@iacs.res.in [Raman Center of Atomic, Molecular and Optical Sciences, IACS, Kolkata 700 032 (India)

2015-12-31

The search for the electric dipole moment of the electron (eEDM) is important because it is a probe of Charge Conjugation-Parity (CP) violation. It can also shed light on new physics beyond the standard model. It is not possible to measure the eEDM directly. However, the interaction energy involving the effective electric field (E{sub eff}) acting on an electron in a molecule and the eEDM can be measured. This quantity can be combined with E{sub eff}, which is calculated by relativistic molecular orbital theory to determine eEDM. Previous calculations of E{sub eff} were not sufficiently accurate in the treatment of relativistic or electron correlation effects. We therefore developed a new method to calculate E{sub eff} based on a four-component relativistic coupled-cluster theory. We demonstrated our method for YbF molecule, one of the promising candidates for the eEDM search. Using very large basis set and without freezing any core orbitals, we obtain a value of 23.1 GV/cm for E{sub eff} in YbF with an estimated error of less than 10%. The error is assessed by comparison of our calculations and experiments for two properties relevant for E{sub eff}, permanent dipole moment and hyperfine coupling constant. Our method paves the way to calculate properties of various kinds of molecules which can be described by a single-reference wave function.

molecular dynamics simulations and quantum chemical calculations

African Journals Online (AJOL)

ABSTRACT. The molecular dynamic (MD) simulation and quantum chemical calculations for the adsorption of [2-(2-Henicos-10- .... electronic properties of molecule clusters, surfaces and ... The local reactivity was analyzed by determining the.

Observation of quantum interference in molecular charge transport

DEFF Research Database (Denmark)

Guedon, Constant M.; Valkenier, Hennie; Markussen, Troels

2012-01-01

for such behaviour has been indirect. Here, we report the observation of destructive quantum interference in charge transport through two-terminal molecular junctions at room temperature. We studied five different rigid p-conjugated molecular wires, all of which form self-assembled monolayers on a gold surface......, and find that the degree of interference can be controlled by simple chemical modifications of the molecular wire....

Performance assessment of semiempirical molecular orbital methods in describing halogen bonding: quantum mechanical and quantum mechanical/molecular mechanical-molecular dynamics study.

Science.gov (United States)

Ibrahim, Mahmoud A A

2011-10-24

The performance of semiempirical molecular-orbital methods--MNDO, MNDO-d, AM1, RM1, PM3 and PM6--in describing halogen bonding was evaluated, and the results were compared with molecular mechanical (MM) and quantum mechanical (QM) data. Three types of performance were assessed: (1) geometrical optimizations and binding energy calculations for 27 halogen-containing molecules complexed with various Lewis bases (Two of the tested methods, AM1 and RM1, gave results that agree with the QM data.); (2) charge distribution calculations for halobenzene molecules, determined by calculating the solvation free energies of the molecules relative to benzene in explicit and implicit generalized Born (GB) solvents (None of the methods gave results that agree with the experimental data.); and (3) appropriateness of the semiempirical methods in the hybrid quantum-mechanical/molecular-mechanical (QM/MM) scheme, investigated by studying the molecular inhibition of CK2 protein by eight halobenzimidazole and -benzotriazole derivatives using hybrid QM/MM molecular-dynamics (MD) simulations with the inhibitor described at the QM level by the AM1 method and the rest of the system described at the MM level. The pure MM approach with inclusion of an extra point of positive charge on the halogen atom approach gave better results than the hybrid QM/MM approach involving the AM1 method. Also, in comparison with the pure MM-GBSA (generalized Born surface area) binding energies and experimental data, the calculated QM/MM-GBSA binding energies of the inhibitors were improved by replacing the G(GB,QM/MM) solvation term with the corresponding G(GB,MM) term.

The geometrodynamic nature of the quantum potential

International Nuclear Information System (INIS)

Fiscaletti, D.

2012-01-01

The de Broglie-Bohm theory allows us to have got a satisfactory geometrodynamic interpretation of quantum mechanics. The fundamental element, which creates a geometrodynamic picture of the quantum world in the non-relativistic domain, a relativistic curved spacetime background, and the quantum gravity domain, is the quantum potential. It is shown that, in the non-relativistic domain, the geometrodynamic nature of the quantum potential follows from the fact that it is an information potential containing a space-like active information on the environment; the geometric properties of the space expressed by the quantum potential determine non-local correlations between subatomic particles. Moreover, in the de Broglie-Bohm theory in a curved space-time, it is shown that the quantum, as well as the gravitational, effects of matter have geometric nature and are highly related: the quantum potential can be interpreted as the conformal degree of freedom of the space-time metric, and its presence is equivalent to the curved space-time. It is shown on the basis of some recent research that, in quantum gravity, we have a generalized geometric unification of gravitational and quantum effects of matter; Bohm's interpretation shows that the form of a quantum potential and its relation to the conformal degree of freedom of the space-time metric can be derived from the equations of motion.

Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost.

Science.gov (United States)

Rosa, Marta; Micciarelli, Marco; Laio, Alessandro; Baroni, Stefano

2016-09-13

We introduce a method to evaluate the relative populations of different conformers of molecular species in solution, aiming at quantum mechanical accuracy, while keeping the computational cost at a nearly molecular-mechanics level. This goal is achieved by combining long classical molecular-dynamics simulations to sample the free-energy landscape of the system, advanced clustering techniques to identify the most relevant conformers, and thermodynamic perturbation theory to correct the resulting populations, using quantum-mechanical energies from density functional theory. A quantitative criterion for assessing the accuracy thus achieved is proposed. The resulting methodology is demonstrated in the specific case of cyanin (cyanidin-3-glucoside) in water solution.

Leading order relativistic chiral nucleon-nucleon interaction

Science.gov (United States)

Ren, Xiu-Lei; Li, Kai-Wen; Geng, Li-Sheng; Long, Bingwei; Ring, Peter; Meng, Jie

2018-01-01

Motivated by the successes of relativistic theories in studies of atomic/molecular and nuclear systems and the need for a relativistic chiral force in relativistic nuclear structure studies, we explore a new relativistic scheme to construct the nucleon-nucleon interaction in the framework of covariant chiral effective field theory. The chiral interaction is formulated up to leading order with covariant power counting and a Lorentz invariant chiral Lagrangian. We find that the relativistic scheme induces all six spin operators needed to describe the nuclear force. A detailed investigation of the partial wave potentials shows a better description of the {}1S0 and {}3P0 phase shifts than the leading order Weinberg approach, and similar to that of the next-to-leading order Weinberg approach. For the other partial waves with angular momenta J≥slant 1, the relativistic results are almost the same as their leading order non-relativistic counterparts. )

Simulation and understanding of atomic and molecular quantum crystals

Science.gov (United States)

Cazorla, Claudio; Boronat, Jordi

2017-07-01

Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases (He 4 and Ne), molecular solids (H2 and CH4 ), and some ionic (LiH), covalent (graphite), and metallic (Li) crystals can be explained only in terms of quantum nuclear effects (QNE). A detailed comprehension of the nature of quantum solids is critical for achieving progress in a number of fundamental and applied scientific fields such as planetary sciences, hydrogen storage, nuclear energy, quantum computing, and nanoelectronics. This review describes the current physical understanding of quantum crystals formed by atoms and small molecules, as well as the wide palette of simulation techniques that are used to investigate them. Relevant aspects in these materials such as phase transformations, structural properties, elasticity, crystalline defects, and the effects of reduced dimensionality are discussed thoroughly. An introduction to quantum Monte Carlo techniques, which in the present context are the simulation methods of choice, and other quantum simulation approaches (e.g., path-integral molecular dynamics and quantum thermal baths) is provided. The overarching objective of this article is twofold: first, to clarify in which crystals and physical situations the disregard of QNE may incur in important bias and erroneous interpretations. And second, to promote the study and appreciation of QNE, a topic that traditionally has been treated in the context of condensed matter physics, within the broad and interdisciplinary areas of materials science.

Relativistic bound state wave functions

International Nuclear Information System (INIS)

Micu, L.

2005-01-01

A particular method of writing the bound state wave functions in relativistic form is applied to the solutions of the Dirac equation with confining potentials in order to obtain a relativistic description of a quark antiquark bound system representing a given meson. Concerning the role of the effective constituent in the present approach we first observe that without this additional constituent we couldn't expand the bound state wave function in terms of products of free states. Indeed, we notice that if the wave function depends on the relative coordinates only, all the expansion coefficients would be infinite. Secondly we remark that the effective constituent enabled us to give a Lorentz covariant meaning to the potential energy of the bound system which is now seen as the 4th component of a 4-momentum. On the other side, by relating the effective constituent to the quantum fluctuations of the background field which generate the binding, we provided a justification for the existence of some spatial degrees of freedom accompanying the interaction potential. These ones, which are quite unusual in quantum mechanics, in our model are the natural consequence of the the independence of the quarks and can be seen as the effect of the imperfect cancellation of the vector momenta during the quantum fluctuations. Related with all these we remark that the adequate representation for the relativistic description of a bound system is the momentum representation, because of the transparent and easy way of writing the conservation laws and the transformation properties of the wave functions. The only condition to be fulfilled is to find a suitable way to take into account the potential energy of the bound system. A particular feature of the present approach is that the confining forces are due to a kind of glue where both quarks are embedded. This recalls other bound state models where the wave function is factorized in terms of constituent wave functions and the confinement is

Families of vector-like deformations of relativistic quantum phase spaces, twists and symmetries

Energy Technology Data Exchange (ETDEWEB)

Meljanac, Daniel [Ruder Boskovic Institute, Division of Materials Physics, Zagreb (Croatia); Meljanac, Stjepan; Pikutic, Danijel [Ruder Boskovic Institute, Division of Theoretical Physics, Zagreb (Croatia)

2017-12-15

Families of vector-like deformed relativistic quantum phase spaces and corresponding realizations are analyzed. A method for a general construction of the star product is presented. The corresponding twist, expressed in terms of phase space coordinates, in the Hopf algebroid sense is presented. General linear realizations are considered and corresponding twists, in terms of momenta and Poincare-Weyl generators or gl(n) generators are constructed and R-matrix is discussed. A classification of linear realizations leading to vector-like deformed phase spaces is given. There are three types of spaces: (i) commutative spaces, (ii) κ-Minkowski spaces and (iii) κ-Snyder spaces. The corresponding star products are (i) associative and commutative (but non-local), (ii) associative and non-commutative and (iii) non-associative and non-commutative, respectively. Twisted symmetry algebras are considered. Transposed twists and left-right dual algebras are presented. Finally, some physical applications are discussed. (orig.)

Families of vector-like deformations of relativistic quantum phase spaces, twists and symmetries

International Nuclear Information System (INIS)

Meljanac, Daniel; Meljanac, Stjepan; Pikutic, Danijel

2017-01-01

Families of vector-like deformed relativistic quantum phase spaces and corresponding realizations are analyzed. A method for a general construction of the star product is presented. The corresponding twist, expressed in terms of phase space coordinates, in the Hopf algebroid sense is presented. General linear realizations are considered and corresponding twists, in terms of momenta and Poincare-Weyl generators or gl(n) generators are constructed and R-matrix is discussed. A classification of linear realizations leading to vector-like deformed phase spaces is given. There are three types of spaces: (i) commutative spaces, (ii) κ-Minkowski spaces and (iii) κ-Snyder spaces. The corresponding star products are (i) associative and commutative (but non-local), (ii) associative and non-commutative and (iii) non-associative and non-commutative, respectively. Twisted symmetry algebras are considered. Transposed twists and left-right dual algebras are presented. Finally, some physical applications are discussed. (orig.)

Families of vector-like deformations of relativistic quantum phase spaces, twists and symmetries

Science.gov (United States)

Meljanac, Daniel; Meljanac, Stjepan; Pikutić, Danijel

2017-12-01

Families of vector-like deformed relativistic quantum phase spaces and corresponding realizations are analyzed. A method for a general construction of the star product is presented. The corresponding twist, expressed in terms of phase space coordinates, in the Hopf algebroid sense is presented. General linear realizations are considered and corresponding twists, in terms of momenta and Poincaré-Weyl generators or gl(n) generators are constructed and R-matrix is discussed. A classification of linear realizations leading to vector-like deformed phase spaces is given. There are three types of spaces: (i) commutative spaces, (ii) κ -Minkowski spaces and (iii) κ -Snyder spaces. The corresponding star products are (i) associative and commutative (but non-local), (ii) associative and non-commutative and (iii) non-associative and non-commutative, respectively. Twisted symmetry algebras are considered. Transposed twists and left-right dual algebras are presented. Finally, some physical applications are discussed.

Preparation of a pure molecular quantum gas.

Science.gov (United States)

Herbig, Jens; Kraemer, Tobias; Mark, Michael; Weber, Tino; Chin, Cheng; Nägerl, Hanns-Christoph; Grimm, Rudolf

2003-09-12

An ultracold molecular quantum gas is created by application of a magnetic field sweep across a Feshbach resonance to a Bose-Einstein condensate of cesium atoms. The ability to separate the molecules from the atoms permits direct imaging of the pure molecular sample. Magnetic levitation enables study of the dynamics of the ensemble on extended time scales. We measured ultralow expansion energies in the range of a few nanokelvin for a sample of 3000 molecules. Our observations are consistent with the presence of a macroscopic molecular matter wave.

On quantum effects in spontaneous emission by a relativistic electron beam in an undulator

Energy Technology Data Exchange (ETDEWEB)

Geloni, Gianluca [European XFEL GmbH, Hamburg (Germany); Kocharyan, Vitali; Saldin, Evgeni [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

2012-02-15

Robb and Bonifacio (2011) claimed that a previously neglected quantum effect results in noticeable changes in the evolution of the energy distribution associated with spontaneous emission in long undulators. They revisited theoretical models used to describe the emission of radiation by relativistic electrons as a continuous diffusive process, and claimed that in the asymptotic limit for a large number of undulator periods the evolution of the electron energy distribution occurs as discrete energy groups according to Poisson distribution. We show that these novel results have no physical sense, because they are based on a one-dimensional model of spontaneous emission and assume that electrons are sheets of charge. However, electrons are point-like particles and, as is well-known, the bandwidth of the angular-integrated spectrum of undulator radiation is independent of the number of undulator periods. If we determine the evolution of the energy distribution using a three-dimensional theory we find the well-known results consistent with a continuous diffusive process. The additional pedagogical purpose of this paper is to review how quantum diffusion of electron energy in an undulator with small undulator parameter can be simply analyzed using the Thomson cross-section expression, unlike the conventional treatment based on the expression for the Lienard-Wiechert fields. (orig.)

Relativistic tunneling through two successive barriers

International Nuclear Information System (INIS)

Lunardi, Jose T.; Manzoni, Luiz A.

2007-01-01

We study the relativistic quantum mechanical problem of a Dirac particle tunneling through two successive electrostatic barriers. Our aim is to study the emergence of the so-called generalized Hartman effect, an effect observed in the context of nonrelativistic tunneling as well as in its counterparts and which is often associated with the possibility of superluminal velocities in the tunneling process. We discuss the behavior of both the phase (or group) tunneling time and the dwell time, and show that in the limit of opaque barriers the relativistic theory also allows the emergence of the generalized Hartman effect. We compare our results with the nonrelativistic ones and discuss their interpretation

Quantum Physics Without Quantum Philosophy

CERN Document Server

Dürr, Detlef; Zanghì, Nino

2013-01-01

It has often been claimed that without drastic conceptual innovations a genuine explanation of quantum interference effects and quantum randomness is impossible. This book concerns Bohmian mechanics, a simple particle theory that is a counterexample to such claims. The gentle introduction and other contributions collected here show how the phenomena of non-relativistic quantum mechanics, from Heisenberg's uncertainty principle to non-commuting observables, emerge from the Bohmian motion of particles, the natural particle motion associated with Schrödinger's equation. This book will be of value to all students and researchers in physics with an interest in the meaning of quantum theory as well as to philosophers of science.

Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.

Science.gov (United States)

Sumner, Isaiah; Iyengar, Srinivasan S

2007-10-18

We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.

Equation of state of dense plasmas: Orbital-free molecular dynamics as the limit of quantum molecular dynamics for high-Z elements

Energy Technology Data Exchange (ETDEWEB)

Danel, J.-F.; Blottiau, P.; Kazandjian, L.; Piron, R.; Torrent, M. [CEA, DAM, DIF, 91297 Arpajon (France)

2014-10-15

The applicability of quantum molecular dynamics to the calculation of the equation of state of a dense plasma is limited at high temperature by computational cost. Orbital-free molecular dynamics, based on a semiclassical approximation and possibly on a gradient correction, is a simulation method available at high temperature. For a high-Z element such as lutetium, we examine how orbital-free molecular dynamics applied to the equation of state of a dense plasma can be regarded as the limit of quantum molecular dynamics at high temperature. For the normal mass density and twice the normal mass density, we show that the pressures calculated with the quantum approach converge monotonically towards those calculated with the orbital-free approach; we observe a faster convergence when the orbital-free approach includes the gradient correction. We propose a method to obtain an equation of state reproducing quantum molecular dynamics results up to high temperatures where this approach cannot be directly implemented. With the results already obtained for low-Z plasmas, the present study opens the way for reproducing the quantum molecular dynamics pressure for all elements up to high temperatures.

Scalar Relativistic Study of the Structure of Rhodium Acetate

Directory of Open Access Journals (Sweden)

Emily E. Edwards

2004-01-01

Full Text Available Abstract: Rhodium acetate, related rhodium carboxylates, and rhodium amide complexes are powerful catalysts for carbene chemistry. They readily promote the decomposition of diazo compounds and transfer the resulting carbene to a variety of substrates. There have been several quantum chemistry studies of these compounds, particularly of the acetate. These have all used non-relativistic methods, and all have shown optimized Rh-Rh bond lengths significantly longer than the experimental value. In this study we have surveyed several scalar relativistic DFT methods using Gaussian, Slater, and numerical basis functions (in DGAUSS, ADF, and DMOL3. Several combinations of exchange-correlation functionals with relativistic and non-relativistic effective core potentials (ECP were investigated, as were non-relativistic and all electron scalar relativistic methods. The combination of the PW91 exchange and PW91 correlation functional with the Christiansen-Ermler ECP gave the best results: 2.3918 Å compared to the experimental value of 2.3855±0.0005 Å.

Coupled electron-phonon transport from molecular dynamics with quantum baths

DEFF Research Database (Denmark)

Lu, Jing Tao; Wang, J. S.

2009-01-01

Based on generalized quantum Langevin equations for the tight-binding wavefunction amplitudes and lattice displacements, electron and phonon quantum transport are obtained exactly using molecular dynamics (MD) in the ballistic regime. The electron-phonon interactions can be handled with a quasi...

Combined quantum and molecular mechanics (QM/MM).

Science.gov (United States)

Friesner, Richard A

2004-12-01

We describe the current state of the art of mixed quantum mechanics/molecular mechanics (QM/MM) methodology, with a particular focus on modeling of enzymatic reactions. Over the past decade, the effectiveness of these methods has increased dramatically, based on improved quantum chemical methods, advances in the description of the QM/MM interface, and reductions in the cost/performance of computing hardware. Two examples of pharmaceutically relevant applications, cytochrome P450 and class C β-lactamase, are presented.: © 2004 Elsevier Ltd . All rights reserved.

Relativistic ''potential model'' for N-particle systems

International Nuclear Information System (INIS)

Noyes, H.P.

1986-08-01

Neither quantum field theory nor S-Matrix theory have a well defined procedure for going over to an approximation that can be reliably used in non-relativistic models for nuclear physics. We meet the problem here by constructing a finite particle number relativistic scattering theory for (scalar) particles and mesons using integral equations of the Faddeev-Yakubovsky type. Restricted to N particles and one meson, we can go from the relativistic theory to a ''potential theory'' in the integral equation formulation by using boundary states which do not contain the meson asymptotically. The meson-particle input amplitudes contain a pole at the particle mass, and the particle-particle input amplitudes are null. This gives unique definition (numerically calculable) to the particle-particle off-shell amplitude, and hence to the covariant ''scattering potential'' (but not to the noninvariant concept of ''potential energy''). As we have commented before, if we take these scattering amplitudes as iput for relativistic Faddeev equations, the results are identical to those obtained from the same model starting from three particles and one meson. In this paper we explore how far we can extend this relativistic ''potential model'' to higher numbers of particles and mesons. 10 refs

Incorporation of quantum statistical features in molecular dynamics

International Nuclear Information System (INIS)

Ohnishi, Akira; Randrup, J.

1995-01-01

We formulate a method for incorporating quantum fluctuations into molecular-dynamics simulations of many-body systems, such as those employed for energetic nuclear collision processes. Based on Fermi's Golden Rule, we allow spontaneous transitions to occur between the wave packets which are not energy eigenstates. The ensuing diffusive evolution in the space of the wave packet parameters exhibits appealing physical properties, including relaxation towards quantum-statistical equilibrium. (author)

Leading quantum gravitational corrections to scalar QED

International Nuclear Information System (INIS)

Bjerrum-Bohr, N.E.J.

2002-01-01

We consider the leading post-Newtonian and quantum corrections to the non-relativistic scattering amplitude of charged scalars in the combined theory of general relativity and scalar QED. The combined theory is treated as an effective field theory. This allows for a consistent quantization of the gravitational field. The appropriate vertex rules are extracted from the action, and the non-analytic contributions to the 1-loop scattering matrix are calculated in the non-relativistic limit. The non-analytical parts of the scattering amplitude, which are known to give the long range, low energy, leading quantum corrections, are used to construct the leading post-Newtonian and quantum corrections to the two-particle non-relativistic scattering matrix potential for two charged scalars. The result is discussed in relation to experimental verifications

Quantum Interactomics and Cancer Molecular Mechanisms: I. Report Outline

CERN Document Server

Baianu, I C

2004-01-01

Single cell interactomics in simpler organisms, as well as somatic cell interactomics in multicellular organisms, involve biomolecular interactions in complex signalling pathways that were recently represented in modular terms by quantum automata with ‘reversible behavior’ representing normal cell cycling and division. Other implications of such quantum automata, modular modeling of signaling pathways and cell differentiation during development are in the fields of neural plasticity and brain development leading to quantum-weave dynamic patterns and specific molecular processes underlying extensive memory, learning, anticipation mechanisms and the emergence of human consciousness during the early brain development in children. Cell interactomics is here represented for the first time as a mixture of ‘classical’ states that determine molecular dynamics subject to Boltzmann statistics and ‘steady-state’, metabolic (multi-stable) manifolds, together with ‘configuration’ spaces of metastable quant...

Quantum mechanics. 2. printing (paperback).

International Nuclear Information System (INIS)

Lipkin, H.J.

1986-01-01

Intended for a first year graduate course in quantum mechanics, this collection of topics can also be considered as a set of self-contained 'monographs for pedestrians' on the Moessbauer effect, many-body quantum mechanics, kaon physics, scattering theory, Feynman diagrams, symmetries and relativistic quantum mechanics. (Auth.)

Relativistic heavy ion reactions

Energy Technology Data Exchange (ETDEWEB)

Brink, D M

1989-08-01

The theory of quantum chromodynamics predicts that if nuclear matter is heated to a sufficiently high temperature then quarks might become deconfined and a quark-gluon plasma could be produced. One of the aims of relativistic heavy ion experiments is to search for this new state of matter. These lectures survey some of the new experimental results and give an introduction to the theories used to interpret them. 48 refs., 4 tabs., 11 figs.

Relativistic heavy ion reactions

International Nuclear Information System (INIS)

Brink, D.M.

1989-08-01

The theory of quantum chromodynamics predicts that if nuclear matter is heated to a sufficiently high temperature then quarks might become deconfined and a quark-gluon plasma could be produced. One of the aims of relativistic heavy ion experiments is to search for this new state of matter. These lectures survey some of the new experimental results and give an introduction to the theories used to interpret them. 48 refs., 4 tabs., 11 figs

Relativistic quantum dynamics of scalar bosons under a full vector Coulomb interaction

Energy Technology Data Exchange (ETDEWEB)

Castro, Luis B. [Universidade Federal do Maranhao (UFMA), Departamento de Fisica, Sao Luis, MA (Brazil); Oliveira, Luiz P. de [Universidade de Sao Paulo (USP), Instituto de Fisica, Sao Paulo, SP (Brazil); Garcia, Marcelo G. [Instituto Tecnologico de Aeronautica (ITA), Departamento de Fisica, Sao Jose dos Campos, SP (Brazil); Universidade Estadual de Campinas (UNICAMP), IMECC, Departamento de Matematica Aplicada, Campinas, SP (Brazil); Castro, Antonio S. de [Universidade Estadual Paulista (UNESP), Departamento de Fisica e Quimica, Guaratingueta, SP (Brazil)

2017-05-15

The relativistic quantum dynamics of scalar bosons in the background of a full vector coupling (minimal plus nonminimal vector couplings) is explored in the context of the Duffin-Kemmer-Petiau formalism. The Coulomb phase shift is determined for a general mixing of couplings and it is shown that the space component of the nonminimal coupling is a sine qua non condition for the exact closed-form scattering amplitude. It follows that the Rutherford cross section vanishes in the absence of the time component of the minimal coupling. Bound-state solutions obtained from the poles of the partial scattering amplitude show that the time component of the minimal coupling plays an essential role. The bound-state solutions depend on the nonminimal coupling and the spectrum consists of particles or antiparticles depending on the sign of the time component of the minimal coupling without chance for pair production even in the presence of strong couplings. It is also shown that an accidental degeneracy appears for a particular mixing of couplings. (orig.)

An introduction to relativistic processes and the standard model of electroweak interactions

CERN Document Server

Becchi, Carlo Maria

2014-01-01

These lectures are meant to be a reference and handbook for an introductory course in Theoretical Particle Physics, suitable for advanced undergraduates or beginning graduate students. Their purpose is to reconcile theoretical rigour and completeness with a careful analysis of more phenomenological aspects of the physics. They aim at filling the gap between quantum field theory textbooks and purely phenomenological treatments of fundamental interactions. The first part provides an introduction to scattering in relativistic quantum field theory. Thanks to an original approach to relativistic processes, the relevant computational techniques are derived cleanly and simply in the semi-classical approximation. The second part contains a detailed presentation of the gauge theory of electroweak interactions with particular focus to the processes of greatest phenomenological interest. The main novelties of the present second edition are a more complete discussion of relativistic scattering theory and an expansion of ...

Relativistic quantum correlations in bipartite fermionic states

Indian Academy of Sciences (India)

The influences of relative motion, the size of the wave packet and the average momentum of the particles on different types of correlations present in bipartite quantum states are investigated. In particular, the dynamics of the quantum mutual information, the classical correlation and the quantum discord on the ...

Canonical quantization of spinning relativistic particle in external backgrounds

Energy Technology Data Exchange (ETDEWEB)

Gavrilov, S.P. [Universidade Federal de Sergipe (UFS), Aracaju, SE (Brazil); Gitman, D.M. [Sao Paulo Univ. (USP), SP (Brazil). Inst. de Fisica

2000-07-01

Full text follows: We revise the problem of the quantization of spinning relativistic particle pseudoclassical model, using a modified consistent canonical scheme. It allows one not only to include arbitrary electromagnetic and gravitational backgrounds in the consideration but to get in course of the quantization a consistent relativistic quantum mechanics, which reproduces literally the behavior of the one-particle sector of quantized spinor field. In particular, in a physical sector of the Hilbert space a complete positive spectrum of energies of relativistic particles and antiparticles is reproduced. Requirement to maintain all classical symmetries under the coordinate transformations and under U(1) transformations allows one to realize operator algebra without any ambiguities. (author)

Quantum fermions and quantum field theory from classical statistics

International Nuclear Information System (INIS)

Wetterich, Christof

2012-01-01

An Ising-type classical statistical ensemble can describe the quantum physics of fermions if one chooses a particular law for the time evolution of the probability distribution. It accounts for the time evolution of a quantum field theory for Dirac particles in an external electromagnetic field. This yields in the non-relativistic one-particle limit the Schrödinger equation for a quantum particle in a potential. Interference or tunneling arise from classical probabilities.

Relativistic wave mechanics

CERN Document Server

Corinaldesi, Ernesto

1963-01-01

Geared toward advanced undergraduate and graduate students of physics, this text provides readers with a background in relativistic wave mechanics and prepares them for the study of field theory. The treatment originated as a series of lectures from a course on advanced quantum mechanics that has been further amplified by student contributions.An introductory section related to particles and wave functions precedes the three-part treatment. An examination of particles of spin zero follows, addressing wave equation, Lagrangian formalism, physical quantities as mean values, translation and rotat

Relativistic many-body bound systems. Monograph report

International Nuclear Information System (INIS)

Danos, M.; Gillet, V.

1975-04-01

The principles and the mathematical details of a fully relativistic nuclear theory are given. Since the concept of nuclear forces is a strictly non-relativistic construct, it must be abandoned, and the forces must be replaced explicitly by their physical origin, i.e., by the interaction between nucleons and mesons. Thus, in this monograph the description of a nucleus has been formulated as a problem of relativistic quantum field theory which is solved by nuclear physics methods; to wit: the physics is described by specifying a Lagrangian which is a functional of the constituent fields (= of the parton fields); the solutions for the physical systems then are obtained in a time-independent treatment as expansions in the parton fields: both particles and nuclei are composite systems, made up of parton configurations, which define a representation of the Hamiltonian (associated with the specified Lagrangian)

Quantum level structure of molecular magnets, Fe12 and V15

Energy Technology Data Exchange (ETDEWEB)

Ajiro, Y.; Inagaki, Y.; Itoh, H.; Asano, T.; Narumi, Y.; Kindo, K.; Sakon, T.; Nojiri, H.; Motokawa, M.; Cornia, A.; Gatteschi, D.; Mueller, A.; Barbara, B

2003-05-01

We review our recent work on molecular magnets, Fe12 and V15 with focus on the determination of low-lying quantum energy levels which have permanent importance in understanding their unique quantum magnetism.

Quantum level structure of molecular magnets, Fe12 and V15

International Nuclear Information System (INIS)

Ajiro, Y.; Inagaki, Y.; Itoh, H.; Asano, T.; Narumi, Y.; Kindo, K.; Sakon, T.; Nojiri, H.; Motokawa, M.; Cornia, A.; Gatteschi, D.; Mueller, A.; Barbara, B.

2003-01-01

We review our recent work on molecular magnets, Fe12 and V15 with focus on the determination of low-lying quantum energy levels which have permanent importance in understanding their unique quantum magnetism

Quantum-dots-encoded-microbeads based molecularly imprinted polymer.

Science.gov (United States)

Liu, Yixi; Liu, Le; He, Yonghong; He, Qinghua; Ma, Hui

2016-03-15

Quantum dots encoded microbeads have various advantages such as large surface area, superb optical properties and the ability of multiplexing. Molecularly imprinted polymer that can mimic the natural recognition entities has high affinity and selectivity for the specific analyte. Here, the concept of utilizing the quantum dots encoded microbeads as the supporting material and the polydopamine as the functional monomer to form the core-shell molecular imprinted polymer was proposed for the first time. The resulted imprinted polymer can provide various merits: polymerization can complete in aqueous environment; fabrication procedure is facile and universal; the obvious economic advantage; the thickness of the imprinting layer is highly controllable; polydopamine coating can improve the biocompatibility of the quantum dot encoded microbeads. The rabbit IgG binding and flow cytometer experiment result showed the distinct advantages of this strategy: cost-saving, facile and fast preparation procedure. Most importantly, the ability for the multichannel detection, which makes the imprinted polydopamine modified encoded-beads very attractive in protein pre-concentration, recognition, separation and biosensing. Copyright © 2015 Elsevier B.V. All rights reserved.

Relativistic two-fermion equations with form factors and anomalous magnetic moment interactions

International Nuclear Information System (INIS)

Ahmed, S.

1977-04-01

Relativistic equations for two-fermion systems are derived from quantum field theory taking into account the form factors of the particles. When the q 2 dependence of the form factors is disregarded, in the static approximation, the two-fermion equations with Coulomb and anomalous magnetic moment interactions are obtained. Separating the angular variables, a sixteen-component relativistic radial equation are finally given

Relationism of quantum physics

International Nuclear Information System (INIS)

Chylinski, Z.

1995-01-01

This paper develops the hypothesis of quantum relationism. Quantum relationism is compared and contrasted with the Cartesian eventism, which is the ontology behind the conventional local quantum field theory. In more technical terms the paper deals with a relativistic description of bound quantal systems which, in Author's opinion, provide an ideal testing ground for his hypothesis. (author)

Molecular hydrodynamic approach to dynamical correlations in quantum liquids

International Nuclear Information System (INIS)

Rabani, Eran; Reichman, David R.

2002-01-01

A quantum molecular hydrodynamic formalism is developed for the study of dynamics in quantum liquids. The method combines exact static input, generated by path-integral Monte Carlo, and an approximate form of the quantum memory function for the solution of the exact quantum generalized Langevin equation under consideration. This methodology is applied to the study of the spectrum of density fluctuations in liquid para-H 2 . Using a physically motivated approximation for the memory function, semiquantitative agreement is obtained for S(k,ω) in comparison to the recent experiments of Bermejo et al. [Phys. Rev. Lett. 84, 5359 (2000)]. Improvement of the methodology and future applications are discussed

Molecular Model of a Quantum Dot Beyond the Constant Interaction Approximation

Science.gov (United States)

Temirov, Ruslan; Green, Matthew F. B.; Friedrich, Niklas; Leinen, Philipp; Esat, Taner; Chmielniak, Pawel; Sarwar, Sidra; Rawson, Jeff; Kögerler, Paul; Wagner, Christian; Rohlfing, Michael; Tautz, F. Stefan

2018-05-01

We present a physically intuitive model of molecular quantum dots beyond the constant interaction approximation. It accurately describes their charging behavior and allows the extraction of important molecular properties that are otherwise experimentally inaccessible. The model is applied to data recorded with a noncontact atomic force microscope on three different molecules that act as a quantum dot when attached to the microscope tip. The results are in excellent agreement with first-principles simulations.

Relativistic Energy Analysis of Five-Dimensional q-Deformed Radial Rosen-Morse Potential Combined with q-Deformed Trigonometric Scarf Noncentral Potential Using Asymptotic Iteration Method

International Nuclear Information System (INIS)

Pramono, Subur; Suparmi, A.; Cari, Cari

2016-01-01

We study the exact solution of Dirac equation in the hyperspherical coordinate under influence of separable q-deformed quantum potentials. The q-deformed hyperbolic Rosen-Morse potential is perturbed by q-deformed noncentral trigonometric Scarf potentials, where all of them can be solved by using Asymptotic Iteration Method (AIM). This work is limited to spin symmetry case. The relativistic energy equation and orbital quantum number equation l_D_-_1 have been obtained using Asymptotic Iteration Method. The upper radial wave function equations and angular wave function equations are also obtained by using this method. The relativistic energy levels are numerically calculated using Matlab, and the increase of radial quantum number n causes the increase of bound state relativistic energy level in both dimensions D=5 and D=3. The bound state relativistic energy level decreases with increasing of both deformation parameter q and orbital quantum number n_l.

Losing energy in classical, relativistic and quantum mechanics

NARCIS (Netherlands)

Atkinson, David

A Zenonian supertask involving an infinite number of colliding balls is considered, under the restriction that the total mass of all the balls is finite. Classical mechanics leads to the conclusion that momentum, but not necessarily energy, must be conserved. In relativistic mechanics, however,

Relativistic quantum games in noninertial frames

Energy Technology Data Exchange (ETDEWEB)

Khan, Salman; Khan, M Khalid, E-mail: sksafi@phys.qau.edu.pk [Department of Physics, Quaid-i-Azam University, Islamabad 45320 (Pakistan)

2011-09-02

We study the influence of the Unruh effect on quantum non-zero sum games. In particular, we investigate the quantum Prisoners' Dilemma both for entangled and unentangled initial states and show that the acceleration of the noninertial frames disturbs the symmetry of the game. It is shown that for the maximally entangled initial state, the classical strategy C-hat (cooperation) becomes the dominant strategy. Our investigation shows that any quantum strategy does no better for any player against the classical strategies. The miracle move of Eisert et al (1999 Phys. Rev. Lett.83 3077) is no more a superior move. We show that the dilemma-like situation is resolved in favor of one player or the other. (paper)

Relativistic quantum games in noninertial frames

International Nuclear Information System (INIS)

Khan, Salman; Khan, M Khalid

2011-01-01

We study the influence of the Unruh effect on quantum non-zero sum games. In particular, we investigate the quantum Prisoners' Dilemma both for entangled and unentangled initial states and show that the acceleration of the noninertial frames disturbs the symmetry of the game. It is shown that for the maximally entangled initial state, the classical strategy C-hat (cooperation) becomes the dominant strategy. Our investigation shows that any quantum strategy does no better for any player against the classical strategies. The miracle move of Eisert et al (1999 Phys. Rev. Lett.83 3077) is no more a superior move. We show that the dilemma-like situation is resolved in favor of one player or the other. (paper)

Relativistic and non-relativistic electronic molecular-structure calculations for dimers of 4p-, 5p-, and 6p-block elements.

Science.gov (United States)

Höfener, Sebastian; Ahlrichs, Reinhart; Knecht, Stefan; Visscher, Lucas

2012-12-07

We report results of non-relativistic and two-component relativistic single-reference coupled-cluster with single and double and perturbative triple excitations [CCSD(T)] treatments for the 4p-block dimers Ga(2) to Br(2) , the 5p-block dimers In(2) to I(2) , and their atoms. Extended basis sets up to pentuple zeta are employed and energies extrapolated to the complete basis-set limit. Relativistic and non-relativistic results for the dissociation energy D(e) are in close agreement with each other and previously published data, provided non-relativistic or scalar-relativistic results are corrected for spin-orbit contributions taken from the literature. An exception is Te(2) where theoretical results scatter by 0.085 eV. By virtue of this agreement it is unexpected that comparison with the experimental D(0) or D(e) dissociation energies (zero-point vibrational effects are negligible in this context) reveal errors larger than 0.1 eV for Ga(2), Ge(2), and Sb(2). Only relativistic treatments are presented for the 6p-block cases Tl(2) to At(2). Sufficient agreement with experimental data is found only for Pb(2) and Bi(2), the deviation of the computed and experimental D(0) values for Po(2) is again larger than 0.1 eV. Deviations of 0.1 eV between the computed and experimental D(0) values are a major reason for concern and call for additional investigations in both fields to clarify the situation. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Pitfall in quantum mechanical/molecular mechanical molecular dynamics simulation of small solutes in solution.

Science.gov (United States)

Hu, Hao; Liu, Haiyan

2013-05-30

Developments in computing hardware and algorithms have made direct molecular dynamics simulation with the combined quantum mechanical/molecular mechanical methods affordable for small solute molecules in solution, in which much improved accuracy can be obtained via the quantum mechanical treatment of the solute molecule and even sometimes water molecules in the first solvation shell. However, unlike the conventional molecular mechanical simulations of large molecules, e.g., proteins, in solutions, special care must be taken in the technical details of the simulation, including the thermostat of the solute/solvent system, so that the conformational space of the solute molecules can be properly sampled. We show here that the common setup for classical molecular mechanical molecular dynamics simulations, such as the Berendsen or single Nose-Hoover thermostat, and/or rigid water models could lead to pathological sampling of the solutes' conformation. In the extreme example of a methanol molecule in aqueous solution, improper and sluggish setups could generate two peaks in the distribution of the O-H bond length. We discuss the factors responsible for this somewhat unexpected result and evoke a simple and ancient technical fix-up to resolve this problem.

Orthonormal Wavelet Bases for Quantum Molecular Dynamics

International Nuclear Information System (INIS)

Tymczak, C.; Wang, X.

1997-01-01

We report on the use of compactly supported, orthonormal wavelet bases for quantum molecular-dynamics (Car-Parrinello) algorithms. A wavelet selection scheme is developed and tested for prototypical problems, such as the three-dimensional harmonic oscillator, the hydrogen atom, and the local density approximation to atomic and molecular systems. Our method shows systematic convergence with increased grid size, along with improvement on compression rates, thereby yielding an optimal grid for self-consistent electronic structure calculations. copyright 1997 The American Physical Society

Preparation and coherent manipulation of pure quantum states of a single molecular ion

Science.gov (United States)

Chou, Chin-Wen; Kurz, Christoph; Hume, David B.; Plessow, Philipp N.; Leibrandt, David R.; Leibfried, Dietrich

2017-05-01

Laser cooling and trapping of atoms and atomic ions has led to advances including the observation of exotic phases of matter, the development of precision sensors and state-of-the-art atomic clocks. The same level of control in molecules could also lead to important developments such as controlled chemical reactions and sensitive probes of fundamental theories, but the vibrational and rotational degrees of freedom in molecules pose a challenge for controlling their quantum mechanical states. Here we use quantum-logic spectroscopy, which maps quantum information between two ion species, to prepare and non-destructively detect quantum mechanical states in molecular ions. We develop a general technique for optical pumping and preparation of the molecule into a pure initial state. This enables us to observe high-resolution spectra in a single ion (CaH+) and coherent phenomena such as Rabi flopping and Ramsey fringes. The protocol requires a single, far-off-resonant laser that is not specific to the molecule, so many other molecular ions, including polyatomic species, could be treated using the same methods in the same apparatus by changing the molecular source. Combined with the long interrogation times afforded by ion traps, a broad range of molecular ions could be studied with unprecedented control and precision. Our technique thus represents a critical step towards applications such as precision molecular spectroscopy, stringent tests of fundamental physics, quantum computing and precision control of molecular dynamics.

Relativistic local quantum field theory for m=0 particles; Campos cuanticos locales relativos a particulas de masa no nula

Energy Technology Data Exchange (ETDEWEB)

Morales Villasevil, A

1965-07-01

A method is introduced ta deal with relativistic quantum field theory for particles with m=0. Two mappings I and J, giving rise respectively to particle and anti particle states, are defined between a test space and the physical Hilbert space. The intrinsic field operator is then defined as the minimal causal linear combinations of operators belonging to the annihilation-creation algebra associated to the germ and antigerm parts of the element. Local elements are introduced as improper test elements and local field operators are constructed in the same way as the intrinsic ones. Commutation rules are given. (Author) 17 refs.

Quantum tagging: Authenticating location via quantum information and relativistic signaling constraints

Energy Technology Data Exchange (ETDEWEB)

Kent, Adrian; Munro, William J.; Spiller, Timothy P. [Centre for Quantum Information and Foundations, DAMTP, University of Cambridge, Cambridge, United Kingdom and Perimeter Institute for Theoretical Physics, Waterloo, Ontario (Canada); NTT Basic Research Laboratories, NTT Corporation, 3-1 Morinosato-Wakamiya, Atsugi-shi, Kanagawa 243-0198 (Japan); Quantum Information Science, School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT (United Kingdom)

2011-07-15

We define the task of quantum tagging, that is, authenticating the classical location of a classical tagging device by sending and receiving quantum signals from suitably located distant sites, in an environment controlled by an adversary whose quantum information processing and transmitting power is unbounded. We define simple security models for this task and briefly discuss alternatives. We illustrate the pitfalls of naive quantum cryptographic reasoning in this context by describing several protocols which at first sight appear unconditionally secure but which, as we show, can in fact be broken by teleportation-based attacks. We also describe some protocols which cannot be broken by these specific attacks, but do not prove they are unconditionally secure. We review the history of quantum tagging protocols, and show that protocols previously proposed by Malaney and Chandran et al. are provably insecure.

Relativistic and Non-Relativistic Electronic Molecular-Structure Calculations for Dimers of 4p-, 5p-, and 6p-Block Elements

NARCIS (Netherlands)

Hoefener, S.; Ahlrichs, R.; Knecht, S.; Visscher, L.

2012-01-01

We report results of non-relativistic and two-component relativistic single-reference coupled-cluster with single and double and perturbative triple excitations [CCSD(T)] treatments for the 4p-block dimers Ga

Quantum entanglement and special relativity

International Nuclear Information System (INIS)

Nishikawa, Yoshihisa

2008-01-01

Quantum entanglement was suggested by Einstein to indicate that quantum mechanics was incomplete. However, against Einstein's expectation, the phenomenon due to quantum entanglement has been verified by experiments. Recently, in quantum information theory, it has been also treated as a resource for quantum teleportation and so on. In around 2000, it is recognized that quantum correlations between two particles of one pair state in an entangled spin-state are affected by the non-trivial effect due to the successive Lorentz transformation. This relativistic effect is called the Wigner rotation. The Wigner rotation has to been taken into account when we observe spin-correlation of moving particles in a different coordinate frame. In this paper, first, we explain quantum entanglement and its modification due to the Wigner rotation. After that, we introduce an extended model instead of one pair state model. In the extended model, quantum entanglement state is prepared as a superposition state of various pair states. We have computed the von Neumann entropy and the Shannon entropy to see the global behavior of variation for the spin correlation due to the relativistic effect. We also discuss distinguishability between the two particles of the pair. (author)

Quantum mechanics versus relativity: an experimental test of the structure of spacetime

International Nuclear Information System (INIS)

Emelyanov, S A

2012-01-01

We have performed an experimental test under the conditions in which quantum mechanics predicts spatially discontinuous single-particle transport. The transport is beyond the relativistic paradigm of movement in Cartesian space and therefore may well be nonlocal. Our test has demonstrated that such transport does exist. This fact opens the door for a realistic interpretation of quantum mechanics in so far as the requirement of Lorentz invariance appears inapplicable to any version of quantum theory. Moreover, as quantum mechanics proposes a particle dynamics beyond relativity, it automatically requires an adequate ‘quantum’ concept of spacetime, for which the relativistic concept is only a limiting case. The quantum concept allows absolute simultaneity and hence revives the notion of absolute time. It also goes beyond the relativistic curvilinear Cartesian order of space to account for quantum phenomena such as discontinuity and nonlocality in the spirit of Bohm's concept of the implicate order.

Exact quantisation of the relativistic Hopfield model

Energy Technology Data Exchange (ETDEWEB)

Belgiorno, F., E-mail: francesco.belgiorno@polimi.it [Dipartimento di Matematica, Politecnico di Milano, Piazza Leonardo 32, IT-20133 Milano (Italy); INdAM-GNFM (Italy); Cacciatori, S.L., E-mail: sergio.cacciatori@uninsubria.it [Department of Science and High Technology, Università dell’Insubria, Via Valleggio 11, IT-22100 Como (Italy); INFN sezione di Milano, via Celoria 16, IT-20133 Milano (Italy); Dalla Piazza, F., E-mail: f.dallapiazza@gmail.com [Università “La Sapienza”, Dipartimento di Matematica, Piazzale A. Moro 2, I-00185, Roma (Italy); Doronzo, M., E-mail: m.doronzo@uninsubria.it [Department of Science and High Technology, Università dell’Insubria, Via Valleggio 11, IT-22100 Como (Italy)

2016-11-15

We investigate the quantisation in the Heisenberg representation of a relativistically covariant version of the Hopfield model for dielectric media, which entails the interaction of the quantum electromagnetic field with the matter dipole fields, represented by a mesoscopic polarisation field. A full quantisation of the model is provided in a covariant gauge, with the aim of maintaining explicit relativistic covariance. Breaking of the Lorentz invariance due to the intrinsic presence in the model of a preferred reference frame is also taken into account. Relativistic covariance forces us to deal with the unphysical (scalar and longitudinal) components of the fields, furthermore it introduces, in a more tricky form, the well-known dipole ghost of standard QED in a covariant gauge. In order to correctly dispose of this contribution, we implement a generalised Lautrup trick. Furthermore, causality and the relation of the model with the Wightman axioms are also discussed.

Relativistic differential-difference momentum operators and noncommutative differential calculus

International Nuclear Information System (INIS)

Mir-Kasimov, R.M.

2011-01-01

Full text: (author)The relativistic kinetic momentum operators are introduced in the framework of the Quantum Mechanics in the relativistic configuration space (RCS). These operators correspond to the half of the non-Euclidean distance in the Lobachevsky momentum space. In terms of kinetic momentum operators the relativistic kinetic energy is separated from the total Hamiltonian. The role of the plane wave (wave function of the motion with definite value of momentum and energy) plays the generation function for the matrix elements of the unitary irreps of Lorentz group (generalized Jacobi polynomials). The kinetic momentum operators are the interior derivatives in the framework of the non-commutative differential calculus over the commutative algebra generated by the coordinate functions over the RCS

The fully relativistic foundation of linear transfer theory in electron optics based on the Dirac equation

NARCIS (Netherlands)

Ferwerda, H.A.; Hoenders, B.J.; Slump, C.H.

The fully relativistic quantum mechanical treatment of paraxial electron-optical image formation initiated in the previous paper (this issue) is worked out and leads to a rigorous foundation of the linear transfer theory. Moreover, the status of the relativistic scaling laws for mass and wavelength,

Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM).

Science.gov (United States)

Sinitskiy, Anton V; Voth, Gregory A

2018-01-07

Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used. However, the QM/MM approach often faces a number of challenges, including the high cost of repetitive QM computations, the slow sampling even for the MM part in those cases where a system under investigation has a complex dynamics, and a difficulty in providing a simple, qualitative interpretation of numerical results in terms of the influence of the molecular environment upon the active QM region. In this paper, we address these issues by combining QM/MM modeling with the methodology of "bottom-up" coarse-graining (CG) to provide the theoretical basis for a systematic quantum-mechanical/coarse-grained molecular mechanics (QM/CG-MM) mixed resolution approach. A derivation of the method is presented based on a combination of statistical mechanics and quantum mechanics, leading to an equation for the effective Hamiltonian of the QM part, a central concept in the QM/CG-MM theory. A detailed analysis of different contributions to the effective Hamiltonian from electrostatic, induction, dispersion, and exchange interactions between the QM part and the surroundings is provided, serving as a foundation for a potential hierarchy of QM/CG-MM methods varying in their accuracy and computational cost. A relationship of the QM/CG-MM methodology to other mixed resolution approaches is also discussed.

Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM)

Science.gov (United States)

Sinitskiy, Anton V.; Voth, Gregory A.

2018-01-01

Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used. However, the QM/MM approach often faces a number of challenges, including the high cost of repetitive QM computations, the slow sampling even for the MM part in those cases where a system under investigation has a complex dynamics, and a difficulty in providing a simple, qualitative interpretation of numerical results in terms of the influence of the molecular environment upon the active QM region. In this paper, we address these issues by combining QM/MM modeling with the methodology of "bottom-up" coarse-graining (CG) to provide the theoretical basis for a systematic quantum-mechanical/coarse-grained molecular mechanics (QM/CG-MM) mixed resolution approach. A derivation of the method is presented based on a combination of statistical mechanics and quantum mechanics, leading to an equation for the effective Hamiltonian of the QM part, a central concept in the QM/CG-MM theory. A detailed analysis of different contributions to the effective Hamiltonian from electrostatic, induction, dispersion, and exchange interactions between the QM part and the surroundings is provided, serving as a foundation for a potential hierarchy of QM/CG-MM methods varying in their accuracy and computational cost. A relationship of the QM/CG-MM methodology to other mixed resolution approaches is also discussed.

Approximation of quantum observables by molecular dynamics simulations

KAUST Repository

Sandberg, Mattias

2016-01-01

In this talk I will discuss how to estimate the uncertainty in molecular dynamics simulations. Molecular dynamics is a computational method to study molecular systems in materials science, chemistry, and molecular biology. The wide popularity of molecular dynamics simulations relies on the fact that in many cases it agrees very well with experiments. If we however want the simulation to predict something that has no comparing experiment, we need a mathematical estimate of the accuracy of the computation. In the case of molecular systems with few particles, such studies are made by directly solving the Schrodinger equation. In this talk I will discuss theoretical results on the accuracy between quantum mechanics and molecular dynamics, to be used for systems that are too large to be handled computationally by the Schrodinger equation.

Approximation of quantum observables by molecular dynamics simulations

KAUST Repository

Sandberg, Mattias

2016-01-06

In this talk I will discuss how to estimate the uncertainty in molecular dynamics simulations. Molecular dynamics is a computational method to study molecular systems in materials science, chemistry, and molecular biology. The wide popularity of molecular dynamics simulations relies on the fact that in many cases it agrees very well with experiments. If we however want the simulation to predict something that has no comparing experiment, we need a mathematical estimate of the accuracy of the computation. In the case of molecular systems with few particles, such studies are made by directly solving the Schrodinger equation. In this talk I will discuss theoretical results on the accuracy between quantum mechanics and molecular dynamics, to be used for systems that are too large to be handled computationally by the Schrodinger equation.

Quantum Interference in the Longitudinal Oscillations of the Total Spin of a Dimeric Molecular Nanomagnet

Science.gov (United States)

Ramsey, Christopher; Del Barco, Enrique; Hill, Stephen; Shah, Sonali; Beedle, Christopher; Hendrickson, David

2008-03-01

The synthetic flexibility of molecular magnets allows one to systematically produce samples with desirable properties such as those with entangled spin states for implementation in quantum logic gates. Here we report direct evidence of quantum oscillations of the total spin length of a dimeric molecular nanomagnet through the observation of quantum interference associated with tunneling trajectories between states having different spin quantum numbers. As we outline, this is a consequence of the unique characteristics of a molecular Mn12 wheel which behaves as a (weak) ferromagnetic exchange-coupled molecular dimer: each half of the molecule acts as a single-molecule magnet (SMM), while the weak coupling between the two halves gives rise to an additional internal spin degree of freedom within the molecule, namely that its total spin may fluctuate. This extra degree of freedom accounts for several magnetization tunneling resonances that cannot be explained within the usual giant spin approximation. More importantly, the observation of quantum interference provides unambiguous evidence for the quantum mechanical superposition involving entangled states of both halves of the wheel.

Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics method.

Science.gov (United States)

Watanabe, Hiroshi C; Kubillus, Maximilian; Kubař, Tomáš; Stach, Robert; Mizaikoff, Boris; Ishikita, Hiroshi

2017-07-21

In the condensed phase, quantum chemical properties such as many-body effects and intermolecular charge fluctuations are critical determinants of the solvation structure and dynamics. Thus, a quantum mechanical (QM) molecular description is required for both solute and solvent to incorporate these properties. However, it is challenging to conduct molecular dynamics (MD) simulations for condensed systems of sufficient scale when adapting QM potentials. To overcome this problem, we recently developed the size-consistent multi-partitioning (SCMP) quantum mechanics/molecular mechanics (QM/MM) method and realized stable and accurate MD simulations, using the QM potential to a benchmark system. In the present study, as the first application of the SCMP method, we have investigated the structures and dynamics of Na + , K + , and Ca 2+ solutions based on nanosecond-scale sampling, a sampling 100-times longer than that of conventional QM-based samplings. Furthermore, we have evaluated two dynamic properties, the diffusion coefficient and difference spectra, with high statistical certainty. Furthermore the calculation of these properties has not previously been possible within the conventional QM/MM framework. Based on our analysis, we have quantitatively evaluated the quantum chemical solvation effects, which show distinct differences between the cations.

Relativistic atomic structure: past, present and future

International Nuclear Information System (INIS)

Grant, I P

2010-01-01

Developments in a relativistic atomic structure have been driven by a combination of advances in experimental methods, in the theory of quantum electrodynamics, in numerical algorithms, computer hardware and software. Today's programs are still in many respects 'legacy codes' containing many features going back nearly half a century. It is time for a rethink.

Relativistic Multichannel Treatment of Krypton Spectra across the First Ionization Threshold

Institute of Scientific and Technical Information of China (English)

QU Yi-Zhi; PENG Yong-Lun

2005-01-01

@@ The relativistic multichannel theory has been extended to calculate both the eigen quantum defects μα, transformation matrix Uiα, and the eigen dipole matrix elements Dα of krypton. The Rydberg and autoionizationspectra of krypton across the first ionization threshold are calculated within the framework of multichannel quantum defect theory. Our calculated spectra are in agreement with the absolute measurement data.

Quantum Bit Commitment and the Reality of the Quantum State

Science.gov (United States)

Srikanth, R.

2018-01-01

Quantum bit commitment is insecure in the standard non-relativistic quantum cryptographic framework, essentially because Alice can exploit quantum steering to defer making her commitment. Two assumptions in this framework are that: (a) Alice knows the ensembles of evidence E corresponding to either commitment; and (b) system E is quantum rather than classical. Here, we show how relaxing assumption (a) or (b) can render her malicious steering operation indeterminable or inexistent, respectively. Finally, we present a secure protocol that relaxes both assumptions in a quantum teleportation setting. Without appeal to an ontological framework, we argue that the protocol's security entails the reality of the quantum state, provided retrocausality is excluded.

Activation of molecular catalysts using semiconductor quantum dots

Science.gov (United States)

Meyer, Thomas J [Chapel Hill, NC; Sykora, Milan [Los Alamos, NM; Klimov, Victor I [Los Alamos, NM

2011-10-04

Photocatalytic materials based on coupling of semiconductor nanocrystalline quantum dots (NQD) and molecular catalysts. These materials have capability to drive or catalyze non-spontaneous chemical reactions in the presence of visible radiation, ultraviolet radiation, or both. The NQD functions in these materials as a light absorber and charge generator. Following light absorption, the NQD activates a molecular catalyst adsorbed on the surface of the NQD via transfer of one or more charges (either electrons or electron-holes) from the NQD to the molecular catalyst. The activated molecular catalyst can then drive a chemical reaction. A photoelectrolytic device that includes such photocatalytic materials is also described.

Quantum theory of relativistic charged particles in external fields

International Nuclear Information System (INIS)

Ruijsenaars, S.N.M.

1976-01-01

A study was made on external field theories in which the quantized field corresponds to relativistic elementary particles with non-zero rest mass. These particles are assumed to be charged, thus they have distinct antiparticles. The thesis consists of two parts. The first tries to accommodate the general features of theories of relativistic charged particles in external fields. Spin and dynamics in particular are not specified. In the second part, the results are applied to charged spin-1/2 and spin-0 particles, the dynamics of which are given by the Dirac resp. Klein-Gordon equation. The greater emphasis is on external fields which are rapidly decreasing, infinitely differentiable functions of space-time, but also considers time-independent fields. External fields, other than electromagnetic fields are also considered, e.g. scalar fields

Relativistic corrections to one-particle neutron levels in the harmonic oscillator well

International Nuclear Information System (INIS)

Yanavichyus, A.I.

1983-01-01

Relativistic corrections to mass and potential energy for one-particle levels in the harmonic oscillator well are calculated in the first approximation of the perturbation theory. These corrections are, mainly negliqible, but they sharply increase with growth of the head and orbital quantum numbers. For the state 1s the relativistic correction is of the order of 0.01 MeV, and for 3p it is equal to 0.4 MeV. Thus, the relativistic correction for certain states approaches the energy of spin-orbital interactions and it should be taken into account in calculating the energy of one-particle levels

Maxwell's equations, quantum physics and the quantum graviton

International Nuclear Information System (INIS)

Gersten, Alexander; Moalem, Amnon

2011-01-01

Quantum wave equations for massless particles and arbitrary spin are derived by factorizing the d'Alembertian operator. The procedure is extensively applied to the spin one photon equation which is related to Maxwell's equations via the proportionality of the photon wavefunction Ψ to the sum E + iB of the electric and magnetic fields. Thus Maxwell's equations can be considered as the first quantized one-photon equation. The photon wave equation is written in two forms, one with additional explicit subsidiary conditions and second with the subsidiary conditions implicitly included in the main equation. The second equation was obtained by factorizing the d'Alembertian with 4×4 matrix representation of 'relativistic quaternions'. Furthermore, scalar Lagrangian formalism, consistent with quantization requirements is developed using derived conserved current of probability and normalization condition for the wavefunction. Lessons learned from the derivation of the photon equation are used in the derivation of the spin two quantum equation, which we call the quantum graviton. Quantum wave equation with implicit subsidiary conditions, which factorizes the d'Alembertian with 8×8 matrix representation of relativistic quaternions, is derived. Scalar Lagrangian is formulated and conserved probability current and wavefunction normalization are found, both consistent with the definitions of quantum operators and their expectation values. We are showing that the derived equations are the first quantized equations of the photon and the graviton.

Quantum leap from Dirac and Feynman, across the universe, to human body and mind

CERN Document Server

Ivancevic, Vladimir G

2008-01-01

This is a unique 21st-century monograph that reveals a basic, yet deep understanding of the universe, as well as the human mind and body - all from the perspective of quantum mechanics and quantum field theory.This book starts with both non-mathematical and mathematical preliminaries. It presents the basics of both non-relativistic and relativistic quantum mechanics, and introduces Feynman path integrals and their application to quantum fields and string theory, as well as some non-quantum applications. It then describes the quantum universe in the form of loop quantum gravity and quantum cosm

Molecular spectrum of laterally coupled quantum rings under intense terahertz radiation.

Science.gov (United States)

Baghramyan, Henrikh M; Barseghyan, Manuk G; Laroze, David

2017-09-05

We study the influence of intense THz laser radiation and electric field on molecular states of laterally coupled quantum rings. Laser radiation shows the capability to dissociate quantum ring molecule and add 2-fold degeneracy to the molecular states at the fixed value of the overlapping size between rings. It is shown that coupled to decoupled molecular states phase transition points form almost a straight line with a slope equal to two. In addition, the electric field direction dependent energy spectrum shows unexpected oscillations, demonstrating strong coupling between molecular states. Besides, intraband absorption is considered, showing both blue and redshifts in its spectrum. The obtained results can be useful for the controlling of degeneracy of the discrete energy spectrum of nanoscale structures and in the tunneling effects therein.

Temperature effects on quantum interference in molecular junctions

DEFF Research Database (Denmark)

Markussen, Troels; Thygesen, Kristian Sommer

2014-01-01

A number of experiments have demonstrated that destructive quantum interference (QI) effects in molecular junctions lead to very low conductances even at room temperature. On the other hand, another recent experiment showed increasing conductance with temperature which was attributed to decoheren...

Molecular physics and chemistry applications of quantum Monte Carlo

International Nuclear Information System (INIS)

Reynolds, P.J.; Barnett, R.N.; Hammond, B.L.; Lester, W.A. Jr.

1985-09-01

We discuss recent work with the diffusion quantum Monte Carlo (QMC) method in its application to molecular systems. The formal correspondence of the imaginary time Schroedinger equation to a diffusion equation allows one to calculate quantum mechanical expectation values as Monte Carlo averages over an ensemble of random walks. We report work on atomic and molecular total energies, as well as properties including electron affinities, binding energies, reaction barriers, and moments of the electronic charge distribution. A brief discussion is given on how standard QMC must be modified for calculating properties. Calculated energies and properties are presented for a number of molecular systems, including He, F, F - , H 2 , N, and N 2 . Recent progress in extending the basic QMC approach to the calculation of ''analytic'' (as opposed to finite-difference) derivatives of the energy is presented, together with an H 2 potential-energy curve obtained using analytic derivatives. 39 refs., 1 fig., 2 tabs

Quantum Control of Molecular Processes

CERN Document Server

Shapiro, Moshe

2012-01-01

Written by two of the world's leading researchers in the field, this is a systematic introduction to the fundamental principles of coherent control, and to the underlying physics and chemistry.This fully updated second edition is enhanced by 80% and covers the latest techniques and applications, including nanostructures, attosecond processes, optical control of chirality, and weak and strong field quantum control. Developments and challenges in decoherence-sensitive condensed phase control as well as in bimolecular control are clearly described.Indispensable for atomic, molecular and chemical

Relativistic quantum mechanic calculation of photoionization cross-section of hydrogenic and non-hydrogenic states using analytical potentials

International Nuclear Information System (INIS)

Rodriguez, R.; Gil, J.M.; Rubiano, J.G.; Florido, R.; Martel, P.; Minguez, E.

2005-01-01

Photoionization process is a subject of special importance in many areas of physics. Numerical methods must be used in order to obtain photoionization cross-sections for non-hydrogenic levels. The atomic data required to calculate them is huge so self-consistent calculations increase computing time considerably. Analytical potentials are a useful alternative because they avoid the iterative procedures typical in self-consistent models. In this work, we present a relativistic quantum calculation of photoionization cross-sections for isolated ions based on an analytical potential to obtain the required atomic data, which is valid both for hydrogenic and non-hydrogenic ions. Comparisons between our results and others obtained using either widely used analytical expressions for the cross-sections or more sophisticated calculations are done

On the relativistic calculation of spontaneous emission

International Nuclear Information System (INIS)

Boudet, R.

1993-01-01

In a recent work, Barut and Salamin (1988) have derived a method for calculating the relativistic decay rates in atoms, in a formulation of quantum electrodynamics based upon the electron's self-energy. The decay rate appears as the imaginary part of a formula giving a complex energy shift, the real part of the formula being the Lamb shift. The presence of the the decay rate in the imaginary part of a formula, giving an energy in its real part, may appear a bit strange. A confirmation of the Barut and Alamin calculation, by means of a quite different point of view, would be useful. Therefore in this work the Einstein A coefficients are calculated, in all cases of degeneracies of the Dirac transition currents, by means of the energy balance method. This point of view is based on the balance between the energy released during the transitions of electrons from a higher state to a lower one, and the flux of the Poynting vector of the classical electromagnetic field, created by the electrons, through a sphere a large radius. The particularity of the present work lies in the direct calculation of the relativistic Dirac transition currents and the fact that the dipole and Pauli approximations are avoided. The quantum part of the relativistic calculation is based on the determination of the transition charge currents in the Darwin solutions of the Dirac equation. 13 refs

On the measurements of molecular similarity: a connection between quantum chemistry and artificial intelligence

International Nuclear Information System (INIS)

Carbo, R.; Calabuig, B.

1988-01-01

Molecular similarity measures within the quantum concept of density functions are described and analyzed. It is intended to show how artificial intelligence techniques can be used within the framework of quantum theory, in order to study and classify the molecular structures and their properties. (A.C.A.S) [pt

New theories of relativistic hydrodynamics in the LHC era

Science.gov (United States)

Florkowski, Wojciech; Heller, Michal P.; Spaliński, Michał

2018-04-01

The success of relativistic hydrodynamics as an essential part of the phenomenological description of heavy-ion collisions at RHIC and the LHC has motivated a significant body of theoretical work concerning its fundamental aspects. Our review presents these developments from the perspective of the underlying microscopic physics, using the language of quantum field theory, relativistic kinetic theory, and holography. We discuss the gradient expansion, the phenomenon of hydrodynamization, as well as several models of hydrodynamic evolution equations, highlighting the interplay between collective long-lived and transient modes in relativistic matter. Our aim to provide a unified presentation of this vast subject—which is naturally expressed in diverse mathematical languages—has also led us to include several new results on the large-order behaviour of the hydrodynamic gradient expansion.

First quantized noncritical relativistic Polyakov string

International Nuclear Information System (INIS)

Jaskolski, Z.; Meissner, K.A.

1994-01-01

The first quantization of the relativistic Brink-DiVecchia-Howe-Polyakov (BDHP) string in the range 1 < d 25 is considered. It is shown that using the Polyakov sum over bordered surfaces in the Feynman path integral quantization scheme one gets a consistent quantum mechanics of relativistic 1-dim extended objects in the range 1 < d < 25. In particular, the BDHP string propagator is exactly calculated for arbitrary initial and final string configurations and the Hilbert space of physical states of noncritical BDHP string is explicitly constructed. The resulting theory is equivalent to the Fairlie-Chodos-Thorn massive string model. In contrast to the conventional conformal field theory approach to noncritical string and random surfaces in the Euclidean target space the path integral formulation of the Fairlie-Chodos-Thorn string obtained in this paper does not rely on the principle of conformal invariance. Some consequences of this feature for constructing a consistent relativistic string theory based on the ''splitting-joining'' interaction are discussed. (author). 42 refs, 1 fig

Anandan quantum phase for a neutral particle with Fermi-Walker reference frame in the cosmic string background

International Nuclear Information System (INIS)

Bakke, Knut; Furtado, C.

2010-01-01

We study geometric quantum phases in the relativistic and non-relativistic quantum dynamics of a neutral particle with a permanent magnetic dipole moment interacting with two distinct field configurations in a cosmic string spacetime. We consider the local reference frames of the observers are transported via Fermi-Walker transport and study the influence of the non-inertial effects on the phase shift of the wave function of the neutral particle due to the choice of this local frame. We show that the wave function of the neutral particle acquires non-dispersive relativistic and non-relativistic quantum geometric phases due to the topology of the spacetime, the interaction between the magnetic dipole moment with external fields and the spin-rotation coupling. However, due to the Fermi-Walker reference frame, no phase shift associated to the Sagnac effect appears in the quantum dynamics of a neutral particle. We show that in the absence of topological defect, the contribution to the quantum phase due to the spin-rotation coupling is equivalent to the Mashhoon effect in non-relativistic dynamics. (orig.)

Canonical formulation of general-relativistic theories

International Nuclear Information System (INIS)

Bergmann, P.G.

1987-01-01

With the birth of quantum field theory in the late twenties physicists decided that nature could not be half classical and half quantum, and that the gravitational field ought to be quanticized, just as the electromagnetic field had been. One could accept the group of differomorphisms as a fundamental characteristic of general relativity (and indeed of all general-relativistic theories), and proceed to construct a quantum field-theory that was adapted to that group. Quantization would be attempted by way of a Hamiltonian formulation of the (classical) theory, and quantum commutation relations be patterned after the Poisson brackets arising in that formulation. This program is usually called the canonical quantization program, whereas the weak-field approach is known as covariant quantization. The first steps, conceived entirely within the framework of the classical theory, turned out to be beset with technical and conceptual difficulties, which today are essentially resolved. In this paper the author traces out these initial steps

Relativistic quarkonium dynamics

International Nuclear Information System (INIS)

Sazdjian, H.

1985-06-01

We present, in the framework of relativistic quantum mechanics of two interacting particles, a general model for quarkonium systems satisfying the following four requirements: confinement, spontaneous breakdown of chiral symmetry, soft explicit chiral symmetry breaking, short distance interactions of the vector type. The model is characterized by two arbitrary scalar functions entering in the large and short distance interaction potentials, respectively. Using relationships with corresponding quantities of the Bethe-Salpeter equation, we also present the normalization condition of the wave functions, as well as the expressions of the meson decay coupling constants. The quark masses appear in this model as free parameters

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

OpenAIRE

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

2012-01-01

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 sy...

Electromagnetic interactions in relativistic systems of many bodies

International Nuclear Information System (INIS)

Cook, A.H.

1987-09-01

In a previous report (Cook, 1986, 1987) on a formulation of a quasi-relativistic quantum mechanical equation of motion for many particles, little was said of the electromagnetic interactions that keep a set of particles in a bound state. That omission is to some extent repaired in this report. (author). 3 refs

Symmetry of quantum molecular dynamics

International Nuclear Information System (INIS)

Burenin, A.V.

2002-01-01

The paper reviews the current state-of-art in describing quantum molecular dynamics based on symmetry principles alone. This qualitative approach is of particular interest as the only method currently available for a broad and topical class of problems in the internal dynamics of molecules. Besides, a molecule is a physical system whose collective internal motions are geometrically structured, and its perturbation theory description requires a symmetry analysis of this structure. The nature of the geometrical symmetry groups crucial for the closed formulation of the qualitative approach is discussed [ru

Relativistic quantum nonlocality for the three-qubit Greenberger-Horne-Zeilinger state

International Nuclear Information System (INIS)

Moradi, Shahpoor

2008-01-01

Lorentz transformation of the three-qubit Greenberger-Horne-Zeilinger (GHZ) state is studied. Also we obtain the relativistic spin joint measurement for the transformed state. Using these results it is shown that Bell's inequality is maximally violated for the three-qubit GHZ state in the relativistic regime. For ultrarelativistic particles we obtain the critical value for boost speed, which Bell's inequality is not violated for velocities smaller than this value. We also show that in the ultrarelativistic limit Bell's inequality is maximally violated for the GHZ state

A metric for characterizing the bistability of molecular quantum-dot cellular automata

International Nuclear Information System (INIS)

Lu Yuhui; Lent, Craig S

2008-01-01

Much of molecular electronics involves trying to use molecules as (a) wires, (b) diodes or (c) field-effect transistors. In each case the criterion for determining good performance is well known: for wires it is conductance, for diodes it is conductance asymmetry, while for transistors it is high transconductance. Candidate molecules can be screened in terms of these criteria by calculating molecular conductivity in forward and reverse directions, and in the presence of a gating field. Hence so much theoretical work has focused on understanding molecular conductance. In contrast a molecule used as a quantum-dot cellular automata (QCA) cell conducts no current at all. The keys to QCA functionality are (a) charge localization, (b) bistable charge switching within the cell and (c) electric field coupling between one molecular cell and its neighbor. The combination of these effects can be examined using the cell-cell response function which relates the polarization of one cell to the induced polarization of a neighboring cell. The response function can be obtained by calculating the molecular electronic structure with ab initio quantum chemistry techniques. We present an analysis of molecular QCA performance that can be applied to any candidate molecule. From the full quantum chemistry, all-electron ab initio calculations we extract parameters for a reduced-state model which reproduces the cell-cell response function very well. Techniques from electron transfer theory are used to derive analytical models of the response function and can be employed on molecules too large for full ab initio treatment. A metric is derived which characterizes molecular QCA performance the way transconductance characterizes transistor performance. This metric can be assessed from absorption measurements of the electron transfer band or quantum chemistry calculations of appropriate sophistication

MARTINI: An event generator for relativistic heavy-ion collisions

International Nuclear Information System (INIS)

Schenke, Bjoern; Gale, Charles; Jeon, Sangyong

2009-01-01

We introduce the modular algorithm for relativistic treatment of heavy ion interactions (MARTINI), a comprehensive event generator for the hard and penetrating probes in high-energy nucleus-nucleus collisions. Its main components are a time-evolution model for the soft background, PYTHIA 8.1, and the McGill-Arnold, Moore, and Yaffe (AMY) parton-evolution scheme, including radiative as well as elastic processes. This allows us to generate full event configurations in the high p T region that take into account thermal quantum chromodynamic (QCD) and quantum electrodynamic (QED) effects as well as effects of the evolving medium. We present results for the neutral pion nuclear modification factor in Au+Au collisions at the BNL Relativistic Heavy Ion Collider as a function of p T for different centralities and also as a function of the angle with respect to the reaction plane for noncentral collisions. Furthermore, we study the production of high-transverse-momentum photons, incorporating a complete set of photon-production channels.

Quantum spin correlations in relativistic Møller scattering

Directory of Open Access Journals (Sweden)

Caban Paweł

2017-01-01

Full Text Available We present the relativistic spin correlation function (and the corresponding probabilities for a pair of polarized electrons originating from the Moller scattering. This particular state is easy to prepare experimentally; therefore, the results are discussed in view of a possible measurement. We also discuss the state after the Moller scattering in terms of entanglement and polarization transfer.

On the connections between the classical and quantum-mechanical Kepler problems

International Nuclear Information System (INIS)

Dahl, J.P.; Jorgensen, T.G.

1993-01-01

The Runge-Lenz vector, which accounts for the accidental degeneracy of the non-relativistic Kepler problem, has been the subject matter of many studies, both in quantum mechanics and in classical mechanics. Much less attention has been paid to the Johnson-Lippmann operator which accounts for the accidental degeneracy of the relativistic Kepler problem in Dirac's quantum-mechanical description. In the present communication we discuss the properties of the Johnson-Lippmann operator. We show its relation to the non-relativistic Runge-Lenz vector and draw a connection to Sommerfield's early discussion of the relativistic Kepler problem. This enables us, inter alia, to give an explanation of the apparent coincidence of the energy expressions of the two theories

Relativistic nonlinear electrodynamics the QED vacuum and matter in super-strong radiation fields

CERN Document Server

Avetissian, Hamlet K

2016-01-01

This revised edition of the author’s classic 2006 text offers a comprehensively updated review of the field of relativistic nonlinear electrodynamics. It explores the interaction of strong and super-strong electromagnetic/laser radiation with the electromagnetic quantum vacuum and diverse types of matter – including free charged particles and antiparticles, acceleration beams, plasma and plasmous media.  The appearance of laser sources of relativistic and ultra-relativistic intensities over the last decade has stimulated investigation of a large class of processes under such super-strong radiation fields. Revisions for this second edition reflect these developments and the book includes new chapters on Bremsstrahlung and nonlinear absorption of superintense radiation in plasmas, the nonlinear interaction of relativistic atoms with intense laser radiation, nonlinear interaction of strong laser radiation with Graphene, and relativistic nonlinear phenomena in solid-plasma targets under supershort laser pul...

Quantum computing applied to calculations of molecular energies

Czech Academy of Sciences Publication Activity Database

Pittner, Jiří; Veis, L.

2011-01-01

Roč. 241, - (2011), 151-phys ISSN 0065-7727. [National Meeting and Exposition of the American-Chemical-Society (ACS) /241./. 27.03.2011-31.03.2011, Anaheim] Institutional research plan: CEZ:AV0Z40400503 Keywords : molecular energie * quantum computers Subject RIV: CF - Physical ; Theoretical Chemistry

Cheat Sensitive Quantum Bit Commitment

OpenAIRE

Hardy, Lucien; Kent, Adrian

1999-01-01

We define cheat sensitive cryptographic protocols between mistrustful parties as protocols which guarantee that, if either cheats, the other has some nonzero probability of detecting the cheating. We give an example of an unconditionally secure cheat sensitive non-relativistic bit commitment protocol which uses quantum information to implement a task which is classically impossible; we also describe a simple relativistic protocol.

Relativistic and Non-Relativistic Electronic Molecular-Structure Calculations for Dimers of 4p-, 5p-, and 6p-Block Elements

DEFF Research Database (Denmark)

Hofener, S.; Ahlrichs, R.; Knecht, S.

2012-01-01

We report results of non-relativistic and two-component relativistic single-reference coupled-cluster with single and double and perturbative triple excitations [CCSD(T)] treatments for the 4p-block dimers Ga2 to Br2, the 5p-block dimers In2 to I2, and their atoms. Extended basis sets up...

A textbook of quantum mechanics

International Nuclear Information System (INIS)

Mathews, P.M.; Venkatesan, K.

1977-01-01

After briefly surveying the inadequacy of the classical ideas and elementary older quantum theory, the ideas of wave mechanics, the postulates of quantum mechanics, exactly soluble problems, approximation techniques, scattering theory, angular momentum, time dependent problems and the basic ideas of relativistic quantum mechanics are discussed. The book is meant for the Master of Science degree course students of Indian Universities. (M.G.B.)

Communication: Quantum mechanics without wavefunctions

Energy Technology Data Exchange (ETDEWEB)

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)

2012-01-21

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.

Communication: Quantum mechanics without wavefunctions

International Nuclear Information System (INIS)

Schiff, Jeremy; Poirier, Bill

2012-01-01

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.

Gas phase chemistry studies of transactinoid elements and the relativistic effects

Czech Academy of Sciences Publication Activity Database

Zvára, Ivo

1999-01-01

Roč. 49, č. 2 (1999), s. 563-571 ISSN 0011-4626 Institutional research plan: CEZ:AV0Z1048901 Keywords : transactinoid * relativistic effects * chemical properties Subject RIV: CH - Nuclear ; Quantum Chemistry Impact factor: 0.328, year: 1999

Relativistic multiple scattering X-alpha calculations

International Nuclear Information System (INIS)

Chermette, H.; Goursot, A.

1986-01-01

The necessity to include self-consistent relativistic corrections in molecular calculations has been pointed out for all compounds involving heavy atoms. Most of the changes in the electronic properties are due to the mass-velocity and the so-called Darwin terms so that the use of Wood and Boring's Hamiltonian is very convenient for this purpose as it can be easily included in MSXalpha programs. Although the spin orbit operator effects are only obtained by perturbation theory, the results compare fairly well with experiment and with other relativistic calculations, namely Hartree-Fock-Slater calculations

Relativistic four-component potential energy curves for the lowest 23 covalent states of molecular bromine (Br2).

Science.gov (United States)

Gomes, José da Silva; Gargano, Ricardo; Martins, João B L; M de Macedo, Luiz Guilherme

2014-08-07

The covalent excited states and ground state of the Br2 molecule has been investigated by using four-component relativistic COSCI and MRCISD methods. These methods were performed for all covalent states in the representation Ω((±)). Calculated potential energy curves (PECs) were obtained at the four-component COSCI level, and spectroscopic constants (R(e), D(e), D0, ω(e), ω(e)x(e), ω(e)y(e), B(e), α(e), γ(e), Te, Dv) for bounded states are reported. The vertical excitations for all covalent states are reported at COSCI, MRCISD, and MRCISD+Q levels. We also present spectroscopic constants for two weakly bounded states (A':(1)2u and B':(1)0(-)u) not yet reported in the literature, as well as accurate analytical curves for all five relativistic molecular bounded sates [the ground state X:0 g(+) and the excited states A:(1)1(u), B:(1)0(u)(+), C:(2)1(u), and B':(1)0(u)(-)] found in this work.

Quantum mechanics, stochasticity and space-time

International Nuclear Information System (INIS)

Ramanathan, R.

1986-04-01

An extended and more rigorous version of a recent proposal for an objective stochastic formulation of quantum mechanics along with its extension to the relativistic case without spin is presented. The relativistic Klein-Gordon equation is shown to be a particular form of the relativistic Kolmogorov-Fokker-Planck equation which is derived from a covariant formulation of the Chapman-Kolmogorov condition. Complexification of probability amplitudes is again achieved only through a conformal rotation of Minkowski space-time M 4 . (author)

Gauge origin independent calculations of molecular magnetisabilities in relativistic four-component theory

DEFF Research Database (Denmark)

Iliaš, M.; Jensen, Hans Jørgen Aagaard; Bast, R.

2013-01-01

of the four-component relativistic linear response method at the self-consistent field single reference level. Benefits of employing the London atomic orbitals in relativistic calculations are illustrated with Hartree-Fock wave functions on the XF3 (X = N, P, As, Sb, Bi) series of molecules. Significantly...

Electrochemical control of quantum interference in anthraquinone-based molecular switches

DEFF Research Database (Denmark)

Markussen, Troels; Schiøtz, Jakob; Thygesen, Kristian Sommer

2010-01-01

Using first-principles calculations we analyze the electronic transport properties of a recently proposed anthraquinone-based electrochemical switch. Robust conductance on/off ratios of several orders of magnitude are observed due to destructive quantum interference present in the anthraquinone...... of hopping via the localized orbitals. The topology of the tight-binding model, which is dictated by the symmetries of the molecular orbitals, determines the amount of quantum interference....

The birth and growth of quantum theory. From quantum hypothesis to quantum mechanics

International Nuclear Information System (INIS)

Peng Huanwu

2001-01-01

The short history covers the birth and early growth of quantum theory from 1900 to 1928, beginning with Planck's formula and the quantum hypothesis for the black-body radiation. After a description of the rise and decline of the old quantum theory in connection with its application in spectroscopy, two paths based on the rigorous formulation of the correspondence principle leading to matrix mechanics (1925) and Dirac's non-commuting q-numbers (1925) are explained. Another path based on the generalization of the wave-particle aspect of light quanta is then shown to lead to wave mechanics (1926). Among the works during the early growth of quantum mechanics in 1927-1928, representation theory, the uncertainty principle, two-electron problems, and Dirac's relativistic theory of electrons are discussed

Construction of relativistic quantum theory: a progress report

International Nuclear Information System (INIS)

Noyes, H.P.

1986-06-01

We construct the particulate states of quantum physics using a recursive computer program that incorporates non-determinism by means of locally arbitrary choices. Quantum numbers and coupling constants arise from the construction via the unique 4-level combinatorial hierarchy. The construction defines indivisible quantum events with the requisite supraluminal correlations, yet does not allow supraluminal communication. Measurement criteria incorporate c, h-bar and m/sub p/ or (not ''and'') G, connected to laboratory events via finite particle number scattering theory and the counter paradigm. The resulting theory is discrete throughout, contains no infinities, and, as far as we have developed it, is in agreement with quantum mechanical and cosmological fact

Exchange effects in Relativistic Schroedinger Theory

International Nuclear Information System (INIS)

Sigg, T.; Sorg, M.

1998-01-01

The Relativistic Schroedinger Theory predicts the occurrence of exchange and overlap effects in many-particle systems. For a 2-particle system, the interaction energy of the two particles consists of two contributions: Coulomb energy and exchange energy, where the first one is revealed to be the same as in standard quantum theory. However the exchange energy is mediated by an exchange potential, contrary to the kinematical origin of the exchange term in the standard theory

Quantum optics, molecular spectroscopy and low-temperaturespectroscopy: general discussion

Czech Academy of Sciences Publication Activity Database

Orrit, M.; Evans, G.; Cordes, T.; Kratochvílová, Irena

2015-01-01

Roč. 184, Sep (2015), 275-303 ISSN 1359-6640 R&D Projects: GA TA ČR TA04020156 Institutional support: RVO:68378271 Keywords : quantum optics * molecular spectroscopy Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.544, year: 2015

Approximate relativistic corrections to atomic radial wave functions

International Nuclear Information System (INIS)

Cowan, R.D.; Griffin, D.C.

1976-01-01

The mass-velocity and Darwin terms of the one-electron-atom Pauli equation have been added to the Hartree-Fock differential equations by using the HX formula to calculate a local central field potential for use in these terms. Introduction of the quantum number j is avoided by omitting the spin-orbit term of the Pauli equation. The major relativistic effects, both direct and indirect, are thereby incorporated into the wave functions, while allowing retention of the commonly used nonrelativistic formulation of energy level calculations. The improvement afforded in calculated total binding energies, excitation energies, spin-orbit parameters, and expectation values of r/sub m/ is comparable with that provided by fully relativistic Dirac-Hartree-Fock calculations

Relativistic Chiral Mean Field Model for Finite Nuclei

Science.gov (United States)

Ogawa, Y.; Toki, H.; Tamenaga, S.; Haga, A.

2009-08-01

We present a relativistic chiral mean field (RCMF) model, which is a method for the proper treatment of pion-exchange interaction in the nuclear many-body problem. There the dominant term of the pionic correlation is expressed in two-particle two-hole (2p-2h) states with particle-holes having pionic quantum number, J^{π}. The charge-and-parity-projected relativistic mean field (CPPRMF) model developed so far treats surface properties of pionic correlation in 2p-2h states with J^{π} = 0^{-} (spherical ansatz). We extend the CPPRMF model by taking 2p-2h states with higher spin quantum numbers, J^{π} = 1^{+}, 2^{-}, 3^{+}, ... to describe the full strength of the pionic correlation in the intermediate range (r > 0.5 fm). We apply the RCMF model to the ^{4}He nucleus as a pilot calculation for the study of medium and heavy nuclei. We study the behavior of energy convergence with the pionic quantum number, J^{π}, and find convergence around J^{π}_{max} = 6^{-}. We include further the effect of the short-range repulsion in terms of the unitary correlation operator method (UCOM) for the central part of the pion-exchange interaction. The energy contribution of about 50% of the net two-body interaction comes from the tensor part and 20% comes from the spin-spin central part of the pion-exchange interaction.}

Quantum revolution. [Vol.] 1: the breakthrough

International Nuclear Information System (INIS)

Venkataraman, G.

1994-01-01

The story of the birth of quantum mechanics is narrated. The story is brought up to the early thirties covering evolution of quantum mechanics, non-relativistic quantum mechanics and the Dirac equation followed by the crisis of infinities. The book is written in a simple chatty style. The objective is to stimulate the curiosity of the layman. (M.G.B.)

Advanced quantum theory and its applications through Feynman diagrams

International Nuclear Information System (INIS)

Scadron, M.D.

1979-01-01

The two themes of scattering diagrams and the fundamental forces characterize this book. Transformation theory is developed to review the concepts of nonrelativistic quantum mechanics and to formulate the relativistic Klein-Gordon, Maxwell, and Dirac wave equations for relativistic spin-0, massless spin-1, and spin-1/2 particles, respectively. The language of group theory is used to write relativistic Lorentz transformations in a form similar to ordinary rotations and to describe the important discrete symmetries of C, P, and T. Then quantum mechanics is reformulated in the language of scattering theory, with the momentum-space S matrix replacing the coordinate-space hamiltonian as the central dynamical operator. Nonrelativistic perturbation scattering diagrams are then developed, and simple applications given for nuclear, atomic, and solid-state scattering problems. Next, relativistic scattering diagrams built up from covariant Feynman propagators and vertices in a manner consistent with the CPT theorem are considered. The theory is systematically applied to the lowest-order fundamental electromagnetic, strong, weak, and gravitational interactions. Finally, the use of higher-order Feynman diagrams to explain more detailed aspects of quantum electrodynamics (QED) and strong-interaction elementary-particle physics is surveyed. Throughout, the notion of currents is used to exploit the underlying symmetries and dynamical interactions of the various quantum forces. 258 references, 77 figures, 1 table

Invariance Lie algebra and group of the non relativistic hydrogen atom

International Nuclear Information System (INIS)

Decoster, Alain

1970-01-01

The first part of this work contains a general survey of the use of Lie groups and algebras in quantum mechanics, followed by an extensive description of tbe invariance algebra and invariance group of the non-relativistic hydrogen atom; the realization of this group discovered by FOCK is specially examined. The second part is a two-hundred items bibliography on invariance groups and algebras of classical and quantum-mechanical simple systems. (author) [fr

Coherent states in quantum mechanics

CERN Document Server

Rodrigues, R D L; Fernandes, D

2001-01-01

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

Theoretical investigations in nonlinear quantum optics, theory of measurement, and pulsations of general relativistic models of neutron stars

International Nuclear Information System (INIS)

Schumaker, B.L.

1985-01-01

This thesis is a collection of six papers. The first four constitute the heart of the thesis; they are concerned with quantum-mechanical properties of certain harmonic-oscillator states. The first paper is a discourse on single-mode and two-mode Gaussian pure states (GPS), states produced when harmonic oscillators in their ground states are exposed to potentials that are linear or quadratic in oscillator position and momentum variables (creation and annihilation operators). The second and third papers develop a formalism for analyzing two photon devices (e.g., parametric amplifiers and phase-conjugate mirrors), in which photons in the output modes arise from two-proton transitions, i.e., are created or destroyed two at a time. The fourth paper is an analysis of the noise in homodyne detection, a phase-sensitive detection scheme in which the special properties of (single-mode) squeezed states are revealed. The fifth paper considers the validity of the standard quantum limit (SQL) for measurements that monitor the position of a free mass. The sixth paper develops the mathematical theory of torsional (toroidal) oscillations in fully general relativistic, nonrotating, spherical stellar models and of the gravitational waves they emit

Construction of relativistic quantum theory: a progress report

Energy Technology Data Exchange (ETDEWEB)

Noyes, H.P.

1986-06-01

We construct the particulate states of quantum physics using a recursive computer program that incorporates non-determinism by means of locally arbitrary choices. Quantum numbers and coupling constants arise from the construction via the unique 4-level combinatorial hierarchy. The construction defines indivisible quantum events with the requisite supraluminal correlations, yet does not allow supraluminal communication. Measurement criteria incorporate c, h-bar and m/sub p/ or (not ''and'') G, connected to laboratory events via finite particle number scattering theory and the counter paradigm. The resulting theory is discrete throughout, contains no infinities, and, as far as we have developed it, is in agreement with quantum mechanical and cosmological fact.

Induced gravity in quantum theory in a curved space

International Nuclear Information System (INIS)

Etim, E.

1983-01-01

The reason for interest in the unorthodox view of first order (about R(x)) gravity as a matter-induced quantum effect is really to find an argument not to quantise it. According to this view quantum gravity should be constructed with an action which is, at least, quadratic in the scalar curvature R(x). Such a theory will not contain a dimensional parameter, like Newton's constant, and would probably be renormalisable. This lecture is intended to acquaint the non-expert with the phenomenon of induction of the scalar curvature term in the matter Lagrangian in a curved space in both relativistic and non-relativistic quantum theories

On relativistic irreducible quantum fields fulfilling CCR

International Nuclear Information System (INIS)

Baumann, K.

1987-01-01

Let phi be a relativistic scalar field fulfilling canonical commutation relations (CCR). Furthermore it is assumed that the time zero fields and momenta form an irreducible set. Based on estimates given by Herbst [I. W. Herbst, J. Math. Phys. 17, 1210 (1976)], and by methods developed by Powers [R. T. Powers, Commun. Math. Phys. 4, 145 (1967)], it is shown that phi has to be a free field in n>3 space dimensions. For n = 3 (resp. n = 2) restrictions that look similar to the restriction in a formal :phi 4 : 3 /sub +/ 1 (resp. :phi 6 : 2 /sub +/ 1 ) theory are obtained

Foldy-Wouthuysen transformations for the classical relativistic electron. Non grassmannian description

International Nuclear Information System (INIS)

Pupasov-Maksimov, Andrey; Deriglazov, Alexei

2012-01-01

Full text: We consider a classical model of the relativistic electron proposed by A. Deriglazov in Phys. Lett. A 376 (2012) 309-313. Though this model contains only bosonic variables, its quantization leads to the Dirac equation and one-particle relativistic quantum mechanics of the electron. There are constraints and gauge symmetries, therefore 18 initial variables of the model {x μ , p μ , ω A , π A }, μ is an element of (0,4), A is an element of (0,5) do not correspond to the observable quantities. There are 10 physical degrees of freedom implying another set of 10 gauge invariant variables which will be interpreted as physically observable quantities. On the other hand, to have a consistent one-particle relativistic quantum mechanics one has to consider only even operators which do not mix quantum states with positive and negative energy states. Such separation can be obtained with the Foldy-Wouthuysen transformation and leads to the Foldy-Wouthuysen representation with new operators for coordinates and spin (so-called Newton-Wigner coordinates). In the present work we match these to pictures by comparing the choice of the gauge invariant classical variables and the transition to the even operators in the quantum mechanics. We study different canonical transformations of this classical model in order to separate the set of observable quantities from variables with ambiguous dynamics. The constraints of the model in the case of free particle can be chosen in such a way that the Dirac brackets coincide with the Poisson brackets. This choice significantly simplify calculations of transformed variables. Moreover, new variables are canonical variables by construction. It is shown that the following generator of an infinitesimal canonical transformation S=1/2J 5j p j A(p 2 ), can be associated with the Foldy-Wouthuysen transformation. Thus we obtain a classical analog of the Foldy- Wouthuysen transformation. Moreover, the gauge invariant variables in the

The quantum labyrinth

International Nuclear Information System (INIS)

Hoekzema, D.J.

1993-01-01

This volume deals with the question whether quantum mechanics can provide a picture of physical reality. This question is investigated from physical, philosophical, and logical perspectives on the basis of modern views on measurement and open quantum systems. New ways are found of respecting the rules of classical logic in quantum mechanics, by developing a formalization of the concept of 'context' within modularized version of modal logic. Various applications of this are given, also outside quantum theory. A 'contextual quantum process theory' is presented as a general framework for further interpretation. Several such interpretations are outlined, and ensuing problems of completeness and (non)locality are discussed. A special chapter is devoted to a manifestly covariant relativistic interpretation in terms of 'quantum events'. (author). refs

Some consequences of the Fourier analysis on the Lorentz group for relativistic quantum mechanics

International Nuclear Information System (INIS)

Mavrodiev, S.Ch.

1974-01-01

On the basis of the analogy between the nonrelativistic and relativistic Fourier analysis the uncertainty relation for rapidity and relativistic relative coordinate is formaly derived. A geometricla interpretation of the behaviour of the elastic scattering differential cross section is given too

Free space relativistic quantum cryptography with faint laser pulses

International Nuclear Information System (INIS)

Molotkov, S N; Potapova, T A

2013-01-01

A new protocol for quantum key distribution through empty space is proposed. Apart from the quantum mechanical restrictions on distinguishability of non-orthogonal states, the protocol employs additional restrictions imposed by special relativity. The protocol ensures generation of a secure key even for the source generating non-strictly single-photon quantum states and for arbitrary losses in quantum communication channel. (letter)

Quantum molecular dynamics of methyl rotors in peptide links

International Nuclear Information System (INIS)

Del-Mar, Jon

2002-01-01

A particles wavefunction extends beyond the classically accessible regions of the potential energy surface. Quantum mechanical tunnelling is the result of this partial delocalisation, which enables the surpassing of classically inaccessible potential barriers. A particles mass is an important aspect, reflecting the tunnelling probability; a consequence of this is that a proton is ideally suited to this behaviour. Symmetrical molecular rotors such as Ch 3 provide a clear example of quantum mechanical tunnelling, seen in their motional spectrum. The advantage of the methyl rotor is that it's found in a wide range of organic compounds, giving a wide range in hindering potentials. It is effectively a proton rotor, and is easily observed using techniques such as Nuclear Magnetic Resonance (NMR), and Inelastic Neutron Scattering (INS). Both NMR and INS techniques are sensitive to molecular motion, and as they measure the tunnel frequencies in different energy windows, are complementary. Of central importance to many biological processes and structures is the peptide unit, -CONH-. Of particular significance are the intermolecular networks that are often formed by the NHO hydrogen bonds, the peptide links. The molecules were chosen for the research in this thesis to form a tractable model for polypeptides and alpha-helix proteins. Methyl rotor tunnelling frequencies have been used, which are very sensitive to the potential energy surface, as a probe of the electronic and molecular structure associated with the peptide links. Quantum chemistry calculations were then utilized to connect experiments to theory to learn about the hydrogen bond. (author)

Localization of relativistic particles

International Nuclear Information System (INIS)

Omnes, R.

1997-01-01

In order to discuss localization experiments and also to extend the consistent history interpretation of quantum mechanics to relativistic properties, the techniques introduced in a previous paper [J. Math. Phys. 38, 697 (1997)] are applied to the localization of a photon in a given region of space. An essential requirement is to exclude arbitrarily large wavelengths. The method is valid for a particle with any mass and spin. Though there is no proper position operator for a photon, one never needs one in practice. Causality is valid up to exponentially small corrections. copyright 1997 American Institute of Physics

Quantum electrodynamics and the relativistic theory of many-electron atoms

International Nuclear Information System (INIS)

Sucher, J.

1981-01-01

The development of relativistic theories of many-electron atoms is reviewed, with emphasis on the fact that the Dirac-Coulomb Hamiltonian H/sub DC/ has no bound states. This fact implies that neither the Dirac-Hartree-Fock (DHF) equations nor the DHF wavefunction chi have a simple theoretical interpretation. A no-pair hamiltonian H/sub +/ is defined which does not have the fatal flaw of H/sub DC/ and hence can serve as a starting point for a systematic study of relativistic effects in many-electron atoms which can go beyond central-field approximations. H/sub +/ differs from H/sub DC/ by the presence of external-field positive-energy projection operators in the electron-electron interaction terms. Unlike H/sub DC/, H/sub +/ and its eigenfunctions psi have a clear-cut field-theoretic meaning, which is described. Similar remarks hold for a simpler no-pair Hamiltonian h/sub +/, which involves free positive-energy projection operators and for related Hamiltonians H/sub +/' and h/sup +/' which include the Breit operator. Relativistic Hartree-Fock equations are obtained from H/sub +/ and the relation between their solutions psi and the DHF solutions chi is discussed. The DHF equations may be reinterpreted as approximations to the new HF-type equations; this provides a rationale for their success in applications. It is argued that the Breit operator ought to be included even in the original DHF equations

Consideration of analogies between magnetic and quantum notices for molecular network

Directory of Open Access Journals (Sweden)

Piech Henryk

2018-01-01

Full Text Available Magnetic properties of spin glass materials [9,13] are close to quantum interpretation in their nature description [17]. Therefore, we can look for possible kinds of analogies in process of defining theoretic and practice conventions, rules and applications of the specific characteristics in elaboration quantum calculation strategies. We have not investigated possibilities to create directly quantum calculation units and practice calculation structures like qubits, registers, gates etc. [4,18], but dealing with spin and quantum definitions and descriptions we can try to involve these notices from different domains. Such a pragmatic approach only intuitively gives chances to create the transition theory and implement it even partially. Obviously, almost all of us have heard about quantum factorization, cryptography or teleportation but it is obtained as a result of exploration casually selected quantum properties and adapting them to mathematic problems. In our approach, we carefully investigate involutions among spin and quantum nature looking at possible implementation in molecular network.

Coherent states in quantum mechanics

International Nuclear Information System (INIS)

Rodrigues, R. de Lima; Fernandes Junior, Damasio; Batista, Sheyla Marques

2001-12-01

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

Non-relativistic scalar field on the quantum plane

International Nuclear Information System (INIS)

Jahan, A.

2005-01-01

We apply the coherent state approach to the non-commutative plane to check the one-loop finiteness of the two-point and four-point functions of a non-relativistic scalar field theory in 2+1 dimensions. We show that the two-point and four-point functions of the model are finite at one-loop level and one recovers the divergent behavior of the model in the limit θ->0 + by appropriate redefinition of the non-commutativity parameter

An introduction to some mathematical aspects of scattering theory in models of quantum fields

International Nuclear Information System (INIS)

Albeverio, S.

1974-01-01

An elementary introduction is given to some results, problems and methods of the recent study of scattering in models developed in connection with constructive quantum field theory. A deliberate effort has been made to be understandable also for mathematicians having some notions of non-relativistic quantum mechanics but no specific previous knowledge of quantum field theory. The Fock space, the free fields and the free Hamiltonian are introduced and the singular perturbation problem posed by local relativistic interaction is discussed. Scattering theory is first discussed for the simplified cases of space cut-off interactions and of translation invariant interactions with persistent vacuum. The Wightman-Haag-Ruelle axiomatic framework is given as a guide for the construction of models with local, relativistic interactions and of the corresponding scattering theory. The verification of the axioms is carried through in a class of models with local relativistic interactions in two-dimensional space-time. (Auth.)

Platonic wholes and quantum ontology

CERN Document Server

Woszczek, Marek

2015-01-01

The subject of the book is a reconsideration of the internalistic model of composition of the Platonic type, more radical than traditional, post-Aristotelian externalistic compositionism, and its application in the field of the ontology of quantum theory. At the centre of quantum ontology is nonseparability. Quantum wholes are atemporal wholes governed by internalistic logic and they are primitive, global physical entities, requiring an extreme relativization of the fundamental notions of mechanics. That ensures quantum theory to be fully consistent with the relativistic causal structure, with

A new perspective on relativistic transformation: formulation of the differential Lorentz transformation based on first principles

International Nuclear Information System (INIS)

Huang, Young-Sea

2010-01-01

The differential Lorentz transformation is formulated solely from the principle of relativity and the invariance of the speed of light. The differential Lorentz transformation transforms physical quantities, instead of space-time coordinates, to keep laws of nature form-invariant among inertial frames. The new relativistic transformation fulfills the principle of relativity, whereas the usual Lorentz transformation of space-time coordinates does not. Furthermore, the new relativistic transformation is compatible with quantum mechanics. The formulation herein provides theoretical foundations for the differential Lorentz transformation as the fundamental relativistic transformation.

An adaptive quantum mechanics/molecular mechanics method for the infrared spectrum of water: incorporation of the quantum effect between solute and solvent.

Science.gov (United States)

Watanabe, Hiroshi C; Banno, Misa; Sakurai, Minoru

2016-03-14

Quantum effects in solute-solvent interactions, such as the many-body effect and the dipole-induced dipole, are known to be critical factors influencing the infrared spectra of species in the liquid phase. For accurate spectrum evaluation, the surrounding solvent molecules, in addition to the solute of interest, should be treated using a quantum mechanical method. However, conventional quantum mechanics/molecular mechanics (QM/MM) methods cannot handle free QM solvent molecules during molecular dynamics (MD) simulation because of the diffusion problem. To deal with this problem, we have previously proposed an adaptive QM/MM "size-consistent multipartitioning (SCMP) method". In the present study, as the first application of the SCMP method, we demonstrate the reproduction of the infrared spectrum of liquid-phase water, and evaluate the quantum effect in comparison with conventional QM/MM simulations.

Stochastic quantum mechanics and quantum spacetime

International Nuclear Information System (INIS)

Prugovecki, E.

1984-01-01

This monograph deals in part with the physical, mathematical and epistemological reasons behind the failure of past theoretical frameworks, including conventional relativistic quantum mechanics, to bring about a conssistent unification of relativity with quantum theory. The assessment of the past record is set in an historical perspective by citing from original sources, some of which might be partly forgotten or are not that well known, but forcefully illustrate the motivations and goals of the foudners of relativity and quantum theory as they set about developing their respetive disciplines. The proposed framework for unification, which constitutes the bulk of this book, embraces classical as well as quantum theories by implementing an epsitemic idea first put forth by M. Born, namely that all deterministic values for measurable quantitites. The framework gives rise to a whole range of yet unresearched problems, whose solutions are bound to shed some light on the relationship between relativity and quantum theories of the most fundamental physical and mathematical leves. (author). refs.; figs.; tabs

Quantum tunneling of magnetization and related phenomena in molecular materials.

Science.gov (United States)

Gatteschi, Dante; Sessoli, Roberta

2003-01-20

Molecules comprising a large number of coupled paramagnetic centers are attracting much interest because they may show properties which are intermediate between those of simple paramagnets and classical bulk magnets and provide unambiguous evidence of quantum size effects in magnets. To date, two cluster families, usually referred to as Mn12 and Fe8, have been used to test theories. However, it is reasonable to predict that other classes of molecules will be discovered which have similar or superior properties. To do this it is necessary that synthetic chemists have a good understanding of the correlation between the structure and properties of the molecules, for this it is necessary that concepts such as quantum tunneling, quantum coherence, quantum oscillations are understood. The goal of this article is to review the fundamental concepts needed to understand quantum size effects in molecular magnets and to critically report what has been done in the field to date.

Next Generation Extended Lagrangian Quantum-based Molecular Dynamics

Science.gov (United States)

Negre, Christian

2017-06-01

A new framework for extended Lagrangian first-principles molecular dynamics simulations is presented, which overcomes shortcomings of regular, direct Born-Oppenheimer molecular dynamics, while maintaining important advantages of the unified extended Lagrangian formulation of density functional theory pioneered by Car and Parrinello three decades ago. The new framework allows, for the first time, energy conserving, linear-scaling Born-Oppenheimer molecular dynamics simulations, which is necessary to study larger and more realistic systems over longer simulation times than previously possible. Expensive, self-consinstent-field optimizations are avoided and normal integration time steps of regular, direct Born-Oppenheimer molecular dynamics can be used. Linear scaling electronic structure theory is presented using a graph-based approach that is ideal for parallel calculations on hybrid computer platforms. For the first time, quantum based Born-Oppenheimer molecular dynamics simulation is becoming a practically feasible approach in simulations of +100,000 atoms-representing a competitive alternative to classical polarizable force field methods. In collaboration with: Anders Niklasson, Los Alamos National Laboratory.

Magnetohydrodynamic waves with relativistic electrons and positrons in degenerate spin-1/2 astrophysical plasmas

Science.gov (United States)

Maroof, R.; Ali, S.; Mushtaq, A.; Qamar, A.

2015-11-01

Linear properties of high and low frequency waves are studied in an electron-positron-ion (e-p-i) dense plasma with spin and relativity effects. In a low frequency regime, the magnetohydrodynamic (MHD) waves, namely, the magnetoacoustic and Alfven waves are presented in a magnetized plasma, in which the inertial ions are taken as spinless and non-degenerate, whereas the electrons and positrons are treated quantum mechanically due to their smaller mass. Quantum corrections associated with the spin magnetization and density correlations for electrons and positrons are re-considered and a generalized dispersion relation for the low frequency MHD waves is derived to account for relativistic degeneracy effects. On the basis of angles of propagation, the dispersion relations of different modes are discussed analytically in a degenerate relativistic plasma. Numerical results reveal that electron and positron relativistic degeneracy effects significantly modify the dispersive properties of MHD waves. Our present analysis should be useful for understanding the collective interactions in dense astrophysical compact objects, like, the white dwarfs and in atmosphere of neutron stars.

Magnetohydrodynamic waves with relativistic electrons and positrons in degenerate spin-1/2 astrophysical plasmas

Energy Technology Data Exchange (ETDEWEB)

Maroof, R. [Department of Physics, Abdul Wali Khan University, Mardan 23200 (Pakistan); Department of Physics, University of Peshawar, Peshawar 25000 (Pakistan); National Center for Physics (NCP) at QAU Campus, Shahdra Valley Road, Islamabad 44000 (Pakistan); Ali, S. [National Center for Physics (NCP) at QAU Campus, Shahdra Valley Road, Islamabad 44000 (Pakistan); Mushtaq, A. [Department of Physics, Abdul Wali Khan University, Mardan 23200 (Pakistan); National Center for Physics (NCP) at QAU Campus, Shahdra Valley Road, Islamabad 44000 (Pakistan); Qamar, A. [Department of Physics, University of Peshawar, Peshawar 25000 (Pakistan)

2015-11-15

Linear properties of high and low frequency waves are studied in an electron-positron-ion (e-p-i) dense plasma with spin and relativity effects. In a low frequency regime, the magnetohydrodynamic (MHD) waves, namely, the magnetoacoustic and Alfven waves are presented in a magnetized plasma, in which the inertial ions are taken as spinless and non-degenerate, whereas the electrons and positrons are treated quantum mechanically due to their smaller mass. Quantum corrections associated with the spin magnetization and density correlations for electrons and positrons are re-considered and a generalized dispersion relation for the low frequency MHD waves is derived to account for relativistic degeneracy effects. On the basis of angles of propagation, the dispersion relations of different modes are discussed analytically in a degenerate relativistic plasma. Numerical results reveal that electron and positron relativistic degeneracy effects significantly modify the dispersive properties of MHD waves. Our present analysis should be useful for understanding the collective interactions in dense astrophysical compact objects, like, the white dwarfs and in atmosphere of neutron stars.

Relativistic Inverse Scattering Problem for a Superposition of a Nonlocal Separable and a Local Quasipotential

International Nuclear Information System (INIS)

Chernichenko, Yu.D.

2005-01-01

Within the relativistic quasipotential approach to quantum field theory, the relativistic inverse scattering problem is solved for the case where the total quasipotential describing the interaction of two relativistic spinless particles having different masses is a superposition of a nonlocal separable and a local quasipotential. It is assumed that the local component of the total quasipotential is known and that there exist bound states in this local component. It is shown that the nonlocal separable component of the total interaction can be reconstructed provided that the local component, an increment of the phase shift, and the energies of bound states are known

Relativistic generalization and extension to the non-Abelian gauge theory of Feynman's proof of the Maxwell equations

International Nuclear Information System (INIS)

Tanimura, Shogo

1992-01-01

R. P. Feynman showed F. J. Dyson a proof of the Lorentz force law and the homogeneous Maxwell equations, which he obtained starting from Newton's law of motion and the commutation relations between position and velocity for a single nonrelativistic particle. The author formulate both a special relativistic and a general relativistic version of Feynman's derivation. Especially in the general relativistic version they prove that the only possible fields that can consistently act on a quantum mechanical particle are scalar, gauge, and gravitational fields. They also extend Feynman's scheme to the case of non-Abelian gauge theory in the special relativistic context. 8 refs

Relativistic many-body XMCD theory including core degenerate effects

Science.gov (United States)

Fujikawa, Takashi

2009-11-01

A many-body relativistic theory to analyze X-ray Magnetic Circular Dichroism (XMCD) spectra has been developed on the basis of relativistic quantum electrodynamic (QED) Keldysh Green's function approach. This theoretical framework enables us to handle relativistic many-body effects in terms of correlated nonrelativistic Green's function and relativistic correction operator Q, which naturally incorporates radiation field screening and other optical field effects in addition to electron-electron interactions. The former can describe the intensity ratio of L2/L3 which deviates from the statistical weight (branching ratio) 1/2. In addition to these effects, we consider the degenerate or nearly degenerate effects of core levels from which photoelectrons are excited. In XPS spectra, for example in Rh 3d sub level excitations, their peak shapes are quite different: This interesting behavior is explained by core-hole moving after the core excitation. We discuss similar problems in X-ray absorption spectra in particular excitation from deep 2p sub levels which are degenerate in each sub levels and nearly degenerate to each other in light elements: The hole left behind is not frozen there. We derive practical multiple scattering formulas which incorporate all those effects.

Under-the-barrier dynamics in laser-induced relativistic tunneling.

Science.gov (United States)

Klaiber, Michael; Yakaboylu, Enderalp; Bauke, Heiko; Hatsagortsyan, Karen Z; Keitel, Christoph H

2013-04-12

The tunneling dynamics in relativistic strong-field ionization is investigated with the aim to develop an intuitive picture for the relativistic tunneling regime. We demonstrate that the tunneling picture applies also in the relativistic regime by introducing position dependent energy levels. The quantum dynamics in the classically forbidden region features two time scales, the typical time that characterizes the probability density's decay of the ionizing electron under the barrier (Keldysh time) and the time interval which the electron spends inside the barrier (Eisenbud-Wigner-Smith tunneling time). In the relativistic regime, an electron momentum shift as well as a spatial shift along the laser propagation direction arise during the under-the-barrier motion which are caused by the laser magnetic field induced Lorentz force. The momentum shift is proportional to the Keldysh time, while the wave-packet's spatial drift is proportional to the Eisenbud-Wigner-Smith time. The signature of the momentum shift is shown to be present in the ionization spectrum at the detector and, therefore, observable experimentally. In contrast, the signature of the Eisenbud-Wigner-Smith time delay disappears at far distances for pure quasistatic tunneling dynamics.

Quantum Dots for Molecular Diagnostics of Tumors

OpenAIRE

Zdobnova, T.A.; Lebedenko, E.N.; Deyev, S.М.

2011-01-01

Semiconductor quantum dots (QDs) are a new class of fluorophores with unique physical and chemical properties, which allow to appreciably expand the possibilities for the current methods of fluorescent imaging and optical diagnostics. Here we discuss the prospects of QD application for molecular diagnostics of tumors ranging from cancer-specific marker detection on microplates to non-invasive tumor imaging in vivo. We also point out the essential problems that require resolution in order to c...

Classical relativistic ideal gas in thermodynamic equilibrium in a uniformly accelerated reference frame

International Nuclear Information System (INIS)

Louis-Martinez, Domingo J

2011-01-01

A classical (non-quantum-mechanical) relativistic ideal gas in thermodynamic equilibrium in a uniformly accelerated frame of reference is studied using Gibbs's microcanonical and grand canonical formulations of statistical mechanics. Using these methods explicit expressions for the particle, energy and entropy density distributions are obtained, which are found to be in agreement with the well-known results of the relativistic formulation of Boltzmann's kinetic theory. Explicit expressions for the total entropy, total energy and rest mass of the gas are obtained. The position of the center of mass of the gas in equilibrium is found. The non-relativistic and ultrarelativistic approximations are also considered. The phase space volume of the system is calculated explicitly in the ultrarelativistic approximation.

Density functional representation of quantum chemistry. II. Local quantum field theories of molecular matter in terms of the charge density operator do not work

International Nuclear Information System (INIS)

Primas, H.; Schleicher, M.

1975-01-01

A comprehensive review of the attempts to rephrase molecular quantum mechanics in terms of the particle density operator and the current density or phase density operator is given. All pertinent investigations which have come to attention suffer from severe mathematical inconsistencies and are not adequate to the few-body problem of quantum chemistry. The origin of the failure of these attempts is investigated, and it is shown that a realization of a local quantum field theory of molecular matter in terms of observables would presuppose the solution of many highly nontrivial mathematical problems

The conceptual basis of Quantum Field Theory

NARCIS (Netherlands)

Hooft, G. 't

2005-01-01

Relativistic Quantum Field Theory is a mathematical scheme to describe the sub-atomic particles and forces. The basic starting point is that the axioms of Special Relativity on the one hand and those of Quantum Mechanics on the other, should be combined into one theory. The fundamental

Strong-field relativistic processes in highly charged ions

Energy Technology Data Exchange (ETDEWEB)

Postavaru, Octavian

2010-12-08

In this thesis we investigate strong-field relativistic processes in highly charged ions. In the first part, we study resonance fluorescence of laser-driven highly charged ions in the relativistic regime by solving the time-dependent master equation in a multi-level model. Our ab initio approach based on the Dirac equation allows for investigating highly relativistic ions, and, consequently, provides a sensitive means to test correlated relativistic dynamics, bound-state quantum electrodynamic phenomena and nuclear effects by applying coherent light with x-ray frequencies. Atomic dipole or multipole moments may be determined to unprecedented accuracy by measuring the interference-narrowed fluorescence spectrum. Furthermore, we investigate the level structure of heavy hydrogenlike ions in laser beams. Interaction with the light field leads to dynamic shifts of the electronic energy levels, which is relevant for spectroscopic experiments. We apply a fully relativistic description of the electronic states by means of the Dirac equation. Our formalism goes beyond the dipole approximation and takes into account non-dipole effects of retardation and interaction with the magnetic field components of the laser beam. We predicted cross sections for the inter-shell trielectronic recombination (TR) and quadruelectronic recombination processes which have been experimentally confirmed in electron beam ion trap measurements, mainly for C-like ions, of Ar, Fe and Kr. For Kr{sup 30}+, inter-shell TR contributions of nearly 6% to the total resonant photorecombination rate were found. (orig.)

Quantum mechanics symmetries

CERN Document Server

Greiner, Walter

1989-01-01

"Quantum Dynamics" is a major survey of quantum theory based on Walter Greiner's long-running and highly successful courses at the University of Frankfurt. The key to understanding in quantum theory is to reinforce lecture attendance and textual study by working through plenty of representative and detailed examples. Firm belief in this principle led Greiner to develop his unique course and to transform it into a remarkable and comprehensive text. The text features a large number of examples and exercises involving many of the most advanced topics in quantum theory. These examples give practical and precise demonstrations of how to use the often subtle mathematics behind quantum theory. The text is divided into five volumes: Quantum Mechanics I - An Introduction, Quantum Mechanics II - Symmetries, Relativistic Quantum Mechanics, Quantum Electrodynamics, Gauge Theory of Weak Interactions. These five volumes take the reader from the fundamental postulates of quantum mechanics up to the latest research in partic...

Relativistic string dynamics and its connection with hadron physics

International Nuclear Information System (INIS)

Barbashov, B.M.; Nesterenko, V.V.

1976-01-01

Physical reasons for using the relativistic string as a hadron model are briefly discussed. The classical and quantum dynamics of the string which is the first example of a relativistic elongated object are presented. The connection between the string and the dual-resonance models, together with the Born-Infeld field model is indicated. As it turned out from the study of the string behaviour in a constant electromagnetic field, even in the classical theory states with the negative square of the string mass - tachyons - appear. As an illustration, a series of examples of classical motion of a free string and a string in an external electromagnetic field from a given initial state is presented

A parabolic model to control quantum interference in T-shaped molecular junctions

DEFF Research Database (Denmark)

Nozaki, Daijiro; Sevincli, Haldun; Avdoshenko, Stanislav M.

2013-01-01

Quantum interference (QI) effects in molecular devices have drawn increasing attention over the past years due to their unique features observed in the conductance spectrum. For the further development of single molecular devices exploiting QI effects, it is of great theoretical and practical...... interest to develop simple methods controlling the emergence and the positions of QI effects like anti-resonances or Fano line shapes in conductance spectra. In this work, starting from a well-known generic molecular junction with a side group (T-shaped molecule), we propose a simple graphical method...... to visualize the conditions for the appearance of quantum interference, Fano resonances or anti-resonances, in the conductance spectrum. By introducing a simple graphical representation (parabolic diagram), we can easily visualize the relation between the electronic parameters and the positions of normal...

Solvable light-front model of the electromagnetic form factor of the relativistic two-body bound state in 1+1 dimensions

International Nuclear Information System (INIS)

Mankiewicz, L.; Sawicki, M.

1989-01-01

Within a relativistically correct yet analytically solvable model of light-front quantum mechanics we construct the electromagnetic form factor of the two-body bound state and we study the validity of the static approximation to the full form factor. Upon comparison of full form factors calculated for different values of binding energy we observe an unexpected effect that for very strongly bound states further increase in binding leads to an increase in the size of the bound system. A similar effect is found for another quantum-mechanical model of relativistic dynamics

Probabilistic solutions of generalized birth and death equations and application to non-relativistic electrodynamics

International Nuclear Information System (INIS)

Serva, M.

1986-01-01

In this paper we give probabilistic solutions to the equations describing non-relativistic quantum electrodynamical systems. These solutions involve, besides the usual diffusion processes, also birth and death processes corresponding to the 'photons number' variables. We state some inequalities and in particular we establish bounds to the ground state energy of systems composed by a non relativistic particle interacting with a field. The result is general and it is applied as an example to the polaron problem. (orig.)

Molecular engineering with artificial atoms: designing a material platform for scalable quantum spintronics and photonics

Science.gov (United States)

Doty, Matthew F.; Ma, Xiangyu; Zide, Joshua M. O.; Bryant, Garnett W.

2017-09-01

Self-assembled InAs Quantum Dots (QDs) are often called "artificial atoms" and have long been of interest as components of quantum photonic and spintronic devices. Although there has been substantial progress in demonstrating optical control of both single spins confined to a single QD and entanglement between two separated QDs, the path toward scalable quantum photonic devices based on spins remains challenging. Quantum Dot Molecules, which consist of two closely-spaced InAs QDs, have unique properties that can be engineered with the solid state analog of molecular engineering in which the composition, size, and location of both the QDs and the intervening barrier are controlled during growth. Moreover, applied electric, magnetic, and optical fields can be used to modulate, in situ, both the spin and optical properties of the molecular states. We describe how the unique photonic properties of engineered Quantum Dot Molecules can be leveraged to overcome long-standing challenges to the creation of scalable quantum devices that manipulate single spins via photonics.

Chirality Quantum Phase Transition in Noncommutative Dirac Oscillator

International Nuclear Information System (INIS)

Wang Shao-Hua; Hou Yu-Long; Jing Jian; Wang Qing; Long Zheng-Wen

2014-01-01

The charged Dirac oscillator on a noncommutative plane coupling to a uniform perpendicular magnetic held is studied in this paper. We map the noncommutative plane to a commutative one by means of Bopp shift and study this problem on the commutative plane. We find that this model can be mapped onto a quantum optics model which contains Anti—Jaynes—Cummings (AJC) or Jaynes—Cummings (JC) interactions when a dimensionless parameter ζ (which is the function of the intensity of the magnetic held) takes values in different regimes. Furthermore, this model behaves as experiencing a chirality quantum phase transition when the dimensionless parameter ζ approaches the critical point. Several evidences of the chirality quantum phase transition are presented. We also study the non-relativistic limit of this model and find that a similar chirality quantum phase transition takes place in its non-relativistic limit. (physics of elementary particles and fields)

The use of ring lasers for the measurement of relativistic effects

International Nuclear Information System (INIS)

Denisov, V I; Zubrilo, A A; Kravtsov, Nikolai V; Pinchuk, V B

1999-01-01

The possibility of using a ring laser for the investigation of relativistic effects is analysed. It is shown that gravitational experiments permitting a refinement of certain (fundamental) aspects of the theory of gravitation will become possible in the near future. (laser applications and other topics in quantum electronics)

Optical-lattice Hamiltonians for relativistic quantum electrodynamics

International Nuclear Information System (INIS)

Kapit, Eliot; Mueller, Erich

2011-01-01

We show how interpenetrating optical lattices containing Bose-Fermi mixtures can be constructed to emulate the thermodynamics of quantum electrodynamics (QED). We present models of neutral atoms on lattices in 1+1, 2+1, and 3+1 dimensions whose low-energy effective action reduces to that of photons coupled to Dirac fermions of the corresponding dimensionality. We give special attention to (2+1)-dimensional quantum electrodynamics (QED3) and discuss how two of its most interesting features, chiral symmetry breaking and Chern-Simons physics, could be observed experimentally.

Scaling for deuteron structure functions in a relativistic light-front model

International Nuclear Information System (INIS)

Polyzou, W.N.; Gloeckle, W.

1996-01-01

Scaling limits of the structure functions [B.D. Keister, Phys. Rev. C 37, 1765 (1988)], W 1 and W 2 , are studied in a relativistic model of the two-nucleon system. The relativistic model is defined by a unitary representation, U(Λ,a), of the Poincaracute e group which acts on the Hilbert space of two spinless nucleons. The representation is in Dirac close-quote s [P.A.M. Dirac, Rev. Mod. Phys. 21, 392 (1949)] light-front formulation of relativistic quantum mechanics and is designed to give the experimental deuteron mass and n-p scattering length. A model hadronic current operator that is conserved and covariant with respect to this representation is used to define the structure tensor. This work is the first step in a relativistic extension of the results of Hueber, Gloeckle, and Boemelburg. The nonrelativistic limit of the model is shown to be consistent with the nonrelativistic model of Hueber, Gloeckle, and Boemelburg. [D. Hueber et al. Phys. Rev. C 42, 2342 (1990)]. The relativistic and nonrelativistic scaling limits, for both Bjorken and y scaling are compared. The interpretation of y scaling in the relativistic model is studied critically. The standard interpretation of y scaling requires a soft wave function which is not realized in this model. The scaling limits in both the relativistic and nonrelativistic case are related to probability distributions associated with the target deuteron. copyright 1996 The American Physical Society

Asymptotic behavior of a rotational population distribution in a molecular quantum-kicked rotor with ideal quantum resonance

Energy Technology Data Exchange (ETDEWEB)

Matsuoka, Leo, E-mail: leo-matsuoka@hiroshima-u.ac.jp [Graduate School of Engineering, Hiroshima University, Kagamiyama, Higashi-Hiroshima, 739-8527 (Japan); Segawa, Etsuo [Graduate School of Information Sciences, Tohoku University, Aoba, Sendai 980-8579 (Japan); Yuki, Kenta [Graduate School of Engineering, Hiroshima University, Kagamiyama, Higashi-Hiroshima, 739-8527 (Japan); Konno, Norio [Department of Applied Mathematics, Faculty of Engineering, Yokohama National University, Hodogaya, Yokohama 240-8501 (Japan); Obata, Nobuaki [Graduate School of Information Sciences, Tohoku University, Aoba, Sendai 980-8579 (Japan)

2017-06-09

We performed a mathematical analysis of the time-dependent dynamics of a quantum-kicked rotor implemented in a diatomic molecule under the condition of ideal quantum resonance. We examined a model system featuring a diatomic molecule in a periodic train of terahertz pulses, regarding the molecule as a rigid rotor with the state-dependent transition moment and including the effect of the magnetic quantum number M. We derived the explicit expression for the asymptotic distribution of a rotational population by making the transition matrix correspondent with a sequence of ultraspherical polynomials. The mathematical results obtained were validated by numerical simulations. - Highlights: • The behavior of the molecular quantum-kicked rotor was mathematically investigated. • The matrix elements were made correspondent with the ultraspherical polynomials. • The explicit formula for asymptotic distribution was obtained. • Complete agreement with the numerical simulation was verified.

Relativistic four-component multiconfigurational self-consistent-field theory for molecules

DEFF Research Database (Denmark)

Jensen, Hans Jørgen Aa; Dyall, Kenneth G.; Saue, Trond

1996-01-01

A formalism for relativistic four-component multiconfigurational self-consistent-field calculations on molecules is presented. The formalism parallels a direct second-order restricted-step algorithm developed for nonrelativistic molecular calculations. The presentation here focuses on the differe......A formalism for relativistic four-component multiconfigurational self-consistent-field calculations on molecules is presented. The formalism parallels a direct second-order restricted-step algorithm developed for nonrelativistic molecular calculations. The presentation here focuses...... the memory used by the largest nonrelativistic calculation in the equivalent basis, due to the complex arithmetic. The feasibility of the calculations is then determined more by the disk space for storage of integrals and N-particle expansion vectors....

Recent developments in quantum plasma physics

International Nuclear Information System (INIS)

Shukla, P K; Eliasson, B

2010-01-01

We present a review of recent developments in nonlinear quantum plasma physics involving quantum hydrodynamics and effective nonlinear Schroedinger equation formalisms, for describing collective phenomena in dense quantum plasmas with degenerate electrons. As examples, we discuss simulation studies of the formation and dynamics of dark solitons and quantum vortices, and of nonlinear interactions between intense circularly polarized electromagnetic (CPEM) waves and electron plasma oscillations (EPOs) in dense quantum-electron plasmas with immobile ions. The electron dynamics of dark solitons and quantum vortices is governed by a pair of equations comprising the nonlinear Schroedinger and Poisson system of equations. Both dark solitons and singly charged electron vortices are robust, and the latter tend to form pairs of oppositely charged vortices. The two-dimensional quantum-electron vortex pairs survive during collisions under the change of partners. The dynamics of the CPEM waves is governed by a nonlinear Schroedinger equation, which is nonlinearly coupled with the Schroedinger equation of the EPOs via the relativistic ponderomotive force, the relativistic electron mass increase in the CPEM field, and the electron density fluctuations. The present governing equations in one-spatial dimension admit stationary solutions in the form of dark solitons. The nonlinear equations also depict trapping of localized CPEM wave envelopes in the electron density holes that are associated with a positive potential profile.

Relativistic Brownian motion and the foundations of quantum mechanics

International Nuclear Information System (INIS)

Roy, S.

1979-01-01

Within the context of the generalized stochastic interpretation of quantum mechanics it is possible to deduce the quantum principles as well as to resolve the EPR paradox. Moreover, the postulates of the stochastic space-time as proposed by Frederick et al. can be deduced in a consistent way. A new possibility arises of rethinking of the existence of hidden variables in quantum mechanics

Electrically Tunable g Factors in Quantum Dot Molecular Spin States

Science.gov (United States)

Doty, M. F.; Scheibner, M.; Ponomarev, I. V.; Stinaff, E. A.; Bracker, A. S.; Korenev, V. L.; Reinecke, T. L.; Gammon, D.

2006-11-01

We present a magnetophotoluminescence study of individual vertically stacked InAs/GaAs quantum dot pairs separated by thin tunnel barriers. As an applied electric field tunes the relative energies of the two dots, we observe a strong resonant increase or decrease in the g factors of different spin states that have molecular wave functions distributed over both quantum dots. We propose a phenomenological model for the change in g factor based on resonant changes in the amplitude of the wave function in the barrier due to the formation of bonding and antibonding orbitals.

Some applicationS of non-Hermitian operators in quantum mechanics and quantum field theory

International Nuclear Information System (INIS)

Recami, E.; Rodrigues, W.A. Jr.; Smrz, P.

1983-01-01

Due to the possibility of rephrasing it in terms of Lie-admissible algebras, some work done in the past in collaboration with A., Agodi, M., Baldo and V.S., Olkhovsky is here reported. Such work led to the introduction of non-Hermitian operators in (classical and relativistic) quantum theory. In particular: (i) the association of unstable states (decaying 'Resonances') with the eigenvectors of non-Hermitian hamiltonians; (ii) the problem of the four position operators for relativistic spin-zero particles are dealth with

Introduction to quantum field theory

CERN Document Server

Alvarez-Gaumé, Luís

1994-01-01

The purpose of this lecture is to review some elementary aspects of Quantum Field Theory. From the necessity to introduce quantum fields once quantum mechanics and special relativity are put together, to some of the basic practical computational tools in the subject, including the canonical quantization of simple field theories, the derivation of Feynman rules, computation of cross sections and decay rates, some introductory remarks on the treatment of unstable states and the possible realization of symmetries in a general field theory. The audience is required to have a working knowledge of quantum mechanics and special relativity and it would also be desirable to know the rudiments of relativistic quantum mechanics.

Quantum mechanics

CERN Document Server

Fitzpatrick, Richard

2015-01-01

Quantum mechanics was developed during the first few decades of the twentieth century via a series of inspired guesses made by various physicists, including Planck, Einstein, Bohr, Schroedinger, Heisenberg, Pauli, and Dirac. All these scientists were trying to construct a self-consistent theory of microscopic dynamics that was compatible with experimental observations. The purpose of this book is to present quantum mechanics in a clear, concise, and systematic fashion, starting from the fundamental postulates, and developing the theory in as logical manner as possible. Topics covered in the book include the fundamental postulates of quantum mechanics, angular momentum, time-dependent and time-dependent perturbation theory, scattering theory, identical particles, and relativistic electron theory.

Relativistic Brownian motion and the foundations of quantum mechanics

International Nuclear Information System (INIS)

Roy, S.

1979-01-01

Within the context of the generalized stochastic interpretation of quantum mechanics it is possible to deduce the quantum principles as well as to resolve the EPR paradox. Moreover, the postulates of the stochastic space-time as proposed by Frederick et al. can be deduced in a consistent way. A new possibility arises of rethinking of the existence of hidden variables in quantum mechanics. (author)

Quantum mechanics in complex systems

Science.gov (United States)

Hoehn, Ross Douglas

. These nodes are spaced far enough from each other to minimized the electronic repulsion of the electrons, while still providing adequate enough attraction so as to bind the excess elections into orbitals. We have found that even with relativistic considerations these species are stably bound within the field. It was also found that performing the dimensional scaling calculations for systems within the confines of laser fields to be a much simpler and more cost-effective method than the supporting D=3 SCF method. The dimensional scaling method is general and can be extended to include relativistic corrections to describe the stability of simple molecular systems in super-intense laser fields. Chapter 3, we delineate the model, and aspects therein, of inelastic electron tunneling and map this model to the protein environment. G protein-coupled receptors (GPCRs) constitute a large family of receptors that sense molecules outside of a cell and activate signal transduction pathways inside the cell. Modeling how an agonist activates such a receptor is important for understanding a wide variety of physiological processes and it is of tremendous value for pharmacology and drug design. Inelastic electron tunneling spectroscopy (IETS) has been proposed as the mechanism by which olfactory GPCRs are activated by an encapsulated agonist. In this note we apply this notion to GPCRs within the mammalian nervous system using ab initio quantum chemical modeling. We found that non-endogenous agonists of the serotonin receptor share a singular IET spectral aspect both amongst each other and with the serotonin molecule: a peak that scales in intensity with the known agonist activities. We propose an experiential validation of this model by utilizing lysergic acid dimethylamide (DAM-57), an ergot derivative, and its isotopologues in which hydrogen atoms are replaced by deuterium. If validated our theory may provide new avenues for guided drug design and better in silico prediction of

Quantum Entanglements: Selected Papers

International Nuclear Information System (INIS)

Giannetto, E

2005-01-01

This book is a sort of tribute to Rob Clifton (1964-2002), Associate Professor of Philosophy and Associate Director of the Center for Philosophy of Science at the University of Pittsburgh, philosopher of physics and editor of the journal Studies in the History and Philosophy of Modern Physics, who tragically died of cancer. It contains fourteen papers by Clifton, for the most part written in collaboration with other authors (Jeffrey Bub (2), Sheldon Goldstein, Michael Dickson, Hans Halvorson (6), Adrian Kent (2)), published between 1995 and 2002. The choice of papers made by the editors is very impressive. They concern the foundations of quantum mechanics and quantum field theory. Among the issues discussed are the modal interpretations of quantum mechanics, the problems of hidden variables theories, non-locality, Bell's inequality, the Einstein-Podolsky-Rosen paradox, Lorentz invariance, de-coherence, non-contextuality, complementarity, entanglement and quantum information. A consequence of such investigations is that non-separability is a more complex issue than violation of Bell's inequality. Apart from the perspective one can follow-whether one agrees or not with Clifton-these papers are effective contributions to an understanding of the problems involved in the foundations of quantum mechanics. The most interesting parts, in my opinion, are related to the extension of the discussion of foundational problems to quantum field theory: on the algebraic approach, and on the twin concepts of particle and vacuum. Non-locality appears to be 'worse' in relativistic quantum field theory than in non-relativistic quantum mechanics. All the papers deal with relevant epistemological and even historical aspects of quantum mechanics interpretations, but all the issues are discussed from a technical, logical and mathematical approach. A complete bibliography of Clifton's papers is given at the end of the volume. (book review)

Report of seminar on relativistic approach to nuclear reaction and nuclear structure

International Nuclear Information System (INIS)

1986-05-01

A seminar on 'Relativistic Approach to Nuclear Reaction and Nuclear Structure' was held in 1985 at Osaka University. This booklet includes twenty-four reports given at the seminar, which deal with: Conventional Nonrelativistic Description of Nuclear Matter and Nuclear Spin-Orbit Interactions; Relativistic Approach to Nuclear Structure; Atomic and Molecular Structure Calculations; Electromagnetic Interaction in Nucleus and Relativistic Effect; Nuclear Magnetic Moment in the Relativistic Mean Field Theory, Effective Mass and Particle-Vibration Coupling in the Relativistic σ-ω Model; Gauge Invariance in Relativistic Many-Body Theory; Relativistic Description of Nucleon-Nucleon Interaction in Review; σ-Particle in NN Interaction; Nuclear Optical Potentials Based on the Brueckner-Hartree-Fock Approach; Elastic Backscattering and Optical Potential; Description of Intermediate-Energy Nuclear Reactions; Dirac Phenomenology at E(p) = 65 MeV; Relativistic Impulse Approximation; Reaction Studies with Intermediate Energy Deuterons at SATURNE; Folding Model for Intermediate-Energy Deutron Scattering; Folding Model for Polarized Deutron Scattering at 700 MeV; Dirac Approach Problems and a Different Viewpoint; Relativistic Approach and EMC Effect; Quasielastic Electron Scattering; Response Function of Quasielastic Electron Scattering; Relativistic Hartree Response Function for Quasielastic Electron Scattering on 12 C and 40 Ca; Backflow-, Retardation- and Relativistic Effects on the Longitudinal Response Function of Nuclear Matter; Pion-Photoproduction in the σ-ω Model. (Nogami, K.)

Quantum non-locality and relativity metaphysical intimations of modern physics

CERN Document Server

Maudlin, Tim

2011-01-01

The third edition of Quantum Non-Locality and Relativity has been carefully updated to reflect significant developments, including a new chapter covering important recent work in the foundations of physics. A new edition of the premier philosophical study of Bell's Theorem and its implication for the relativistic account of space and timeDiscusses Roderich Tumiulka's explicit, relativistic theory that can reproduce the quantum mechanical violation of Bell's inequality. Discusses the "Free Will Theorem" of John Conway and Simon KochenIntroduces philosophers to the relevant physics and demonstra

Pseudo-Hermitian Representation of Quantum Mechanics

International Nuclear Information System (INIS)

Mustafazade, A.

2008-01-01

I will outline a formulation of quantum mechanics in which the inner product on the Hilbert space of a quantum system is treated as a degree of freedom. I will outline some of the basic mathematical and conceptual features of the resulting theory and discuss some of its applications. In particular, I will present a quantum mechanical analogue of Einstein's field equations that links the inner product of the Hilbert space and the Hamiltonian of the system and discuss how the resulting theory can be used to address a variety of problems in classical electrodynamics, relativistic quantum mechanics, and quantum computation

Two-body relativistic scattering with an O(1,1)-symmetric square-well potential

International Nuclear Information System (INIS)

Arshansky, R.; Horwitz, L.P.

1984-01-01

Scattering theory in the framework of a relativistic manifestly covariant quantum mechanics is applied to the relativistic analog of the nonrelativistic one-dimensional square-well potential, a two-body O(1,1)-symmetric hyperbolic square well in one space and one time dimension. The unitary S matrix is explicitly obtained. For well sizes large compared to the de Broglie wavelength of the reduced motion system, simple formulas are obtained for the associated sequence of resonances. This sequence has equally spaced levels and constant widths for higher resonances, and linearly increasing widths for lower-lying levels

Molecular quantum electrodynamics

CERN Document Server

Craig, D P

1998-01-01

This systematic introduction to quantum electrodynamics focuses on the interaction of radiation with outer electrons and nuclei of atoms and molecules, answering the long-standing need of chemists and physicists for a comprehensive text on this highly specialized subject.Geared toward postgraduate students in the chemical sciences who require an understanding of quantum electrodynamics as applied to the interpretation of optical experiments on atoms and molecules, the text offers a detailed explanation of the quantum theory of electromagnetic radiation and its interaction with matter. It feat

The classical and quantum dynamics of molecular spins on graphene

Science.gov (United States)

Cervetti, Christian; Rettori, Angelo; Pini, Maria Gloria; Cornia, Andrea; Repollés, Ana; Luis, Fernando; Dressel, Martin; Rauschenbach, Stephan; Kern, Klaus; Burghard, Marko; Bogani, Lapo

2016-02-01

Controlling the dynamics of spins on surfaces is pivotal to the design of spintronic and quantum computing devices. Proposed schemes involve the interaction of spins with graphene to enable surface-state spintronics and electrical spin manipulation. However, the influence of the graphene environment on the spin systems has yet to be unravelled. Here we explore the spin-graphene interaction by studying the classical and quantum dynamics of molecular magnets on graphene. Whereas the static spin response remains unaltered, the quantum spin dynamics and associated selection rules are profoundly modulated. The couplings to graphene phonons, to other spins, and to Dirac fermions are quantified using a newly developed model. Coupling to Dirac electrons introduces a dominant quantum relaxation channel that, by driving the spins over Villain’s threshold, gives rise to fully coherent, resonant spin tunnelling. Our findings provide fundamental insight into the interaction between spins and graphene, establishing the basis for electrical spin manipulation in graphene nanodevices.

Quantum equivalence principle without mass superselection

International Nuclear Information System (INIS)

Hernandez-Coronado, H.; Okon, E.

2013-01-01

The standard argument for the validity of Einstein's equivalence principle in a non-relativistic quantum context involves the application of a mass superselection rule. The objective of this work is to show that, contrary to widespread opinion, the compatibility between the equivalence principle and quantum mechanics does not depend on the introduction of such a restriction. For this purpose, we develop a formalism based on the extended Galileo group, which allows for a consistent handling of superpositions of different masses, and show that, within such scheme, mass superpositions behave as they should in order to obey the equivalence principle. - Highlights: • We propose a formalism for consistently handling, within a non-relativistic quantum context, superpositions of states with different masses. • The formalism utilizes the extended Galileo group, in which mass is a generator. • The proposed formalism allows for the equivalence principle to be satisfied without the need of imposing a mass superselection rule

New foundation of quantum theory

International Nuclear Information System (INIS)

Schmutzer, E.

1976-01-01

A new foundation of quantum theory is given on the basis of the formulated 'Principle of Fundamental Covariance', combining the 'Principle of General Relativity' (coordinate-covariance in space-time) and the 'Principle of Operator-Covariance' (in Hilbert space). The fundamental quantum laws proposed are: (1) time-dependent simultaneous laws of motion for the operators, general states and eigenstates, (2) commutation relations, (3) time-dependent eigenvalue equations. All these laws fulfill the Principle of Fundamental Covariance (in non-relativistic quantum mechanics with restricted coordinate transformations). (author)

Tachyonless models of relativistic particles with curvature and torsion

International Nuclear Information System (INIS)

Kuznetsov, Yu.A.; Plyushchaj, M.S.

1992-01-01

The problem of construction (2+1)-dimensional tachyonless models of relativistic particles with an action depending on the world-trajectory curvature and torsion is investigated. The special class of models, described by maximum symmetric action and comprising only spin internal degrees of freedom is found. The examples of systems from the special class are given, whose classical and quantum spectra contain only massive states. 23 refs

Advanced Visual Quantum Mechanics

CERN Document Server

Thaller, Bernd

2005-01-01

Advanced Visual Quantum Mechanics is a systematic effort to investigate and to teach quantum mechanics with the aid of computer-generated animations. It is a self-contained textbook that combines selected topics from atomic physics (spherical symmetry, the hydrogen atom, and particles with spin) with an introduction to quantum information theory (qubits, EPR paradox, teleportation, quantum computers). It explores relativistic quantum mechanics and the strange behavior of Dirac equation solutions. A series of appendices covers important topics from perturbation and scattering theory. The book places an emphasis on ideas and concepts, with a fair to moderate amount of mathematical rigor. Though this book stands alone, it can also be paired with Thaller Visual Quantum Mechanics to form a comprehensive course in quantum mechanics. The software for the first book earned the European Academic Software Award 2000 for outstanding innovation in its field.

BRST field theory of relativistic particles

International Nuclear Information System (INIS)

Holten, J.W. van

1992-01-01

A generalization of BRST field theory is presented, based on wave operators for the fields constructed out of, but different from the BRST operator. The authors discuss their quantization, gauge fixing and the derivation of propagators. It is shown, that the generalized theories are relevant to relativistic particle theories in the Brink-Di Vecchia-Howe-Polyakov (BDHP) formulation, and argue that the same phenomenon holds in string theories. In particular it is shown, that the naive BRST formulation of the BDHP theory leads to trivial quantum field theories with vanishing correlation functions. (author). 22 refs

Relativistic and non-relativistic studies of nuclear matter

NARCIS (Netherlands)

Banerjee, MK; Tjon, JA

2002-01-01

We point out that the differences between the results of the non-relativistic lowest order Brueckner theory (LOBT) and the relativistic Dirac-Brueckner analysis predominantly arise from two sources. Besides effects from a nucleon mass modification M* in nuclear medium we have in a relativistic

Quantum coherence behaviors of fermionic system in non-inertial frame

Science.gov (United States)

Huang, Zhiming; Situ, Haozhen

2018-04-01

In this paper, we analyze the quantum coherence behaviors of a single qubit in the relativistic regime beyond the single-mode approximation. Firstly, we investigate the freezing condition of quantum coherence in fermionic system. We also study the quantum coherence tradeoff between particle and antiparticle sector. It is found that there exists quantum coherence transfer between particle and antiparticle sector, but the coherence lost in particle sector is not entirely compensated by the coherence generation of antiparticle sector. Besides, we emphatically discuss the cohering power and decohering power of Unruh channel with respect to the computational basis. It is shown that cohering power is vanishing and decohering power is dependent of the choice of Unruh mode and acceleration. Finally, we compare the behaviors of quantum coherence with geometric quantum discord and entanglement in relativistic setup. Our results show that this quantifiers in two region converge at infinite acceleration limit, which implies that this measures become independent of Unruh modes beyond the single-mode approximations. It is also demonstrated that the robustness of quantum coherence and geometric quantum discord are better than entanglement under the influence of acceleration, since entanglement undergoes sudden death.

Infinite set of conservation laws for relativistic string

International Nuclear Information System (INIS)

Isaev, A.P.

1981-01-01

The solution of the Cauchy problem has been found. An infinite class of conserving values Jsub(α) for a free closed relativistic string has been constructed. Jsub(α) values characterize three-parametric generating functions of conservation laws. It is shown using particular examples that it is necessary to order subintegral expressions of quantum values Jsub(α) and do not disturb a property of commutativity with a hamiltonian to attach sense to these values [ru

Relativistic quantum channel of communication through field quanta

International Nuclear Information System (INIS)

Cliche, M.; Kempf, A.

2010-01-01

Setups in which a system Alice emits field quanta that a system Bob receives are prototypical for wireless communication and have been extensively studied. In the most basic setup, Alice and Bob are modeled as Unruh-DeWitt detectors for scalar quanta, and the only noise in their communication is due to quantum fluctuations. For this basic setup, we construct the corresponding information-theoretic quantum channel. We calculate the classical channel capacity as a function of the spacetime separation, and we confirm that the classical as well as the quantum channel capacity are strictly zero for spacelike separations. We show that this channel can be used to entangle Alice and Bob instantaneously. Alice and Bob are shown to extract this entanglement from the vacuum through a Casimir-Polder effect.

Quantum tunneling of magnetization in single molecular magnets coupled to ferromagnetic reservoirs

Science.gov (United States)

Misiorny, M.; Barnas, J.

2007-04-01

The role of spin polarized reservoirs in quantum tunneling of magnetization and relaxation processes in a single molecular magnet (SMM) is investigated theoretically. The SMM is exchange-coupled to the reservoirs and also subjected to a magnetic field varying in time, which enables the quantum tunneling of magnetization. The spin relaxation times are calculated from the Fermi golden rule. The exchange interaction of SMM and electrons in the leads is shown to affect the spin reversal due to quantum tunneling of magnetization. It is shown that the switching is associated with transfer of a certain charge between the leads.

A pseudobond parametrization for improved electrostatics in quantum mechanical/molecular mechanical simulations of enzymes.

Science.gov (United States)

Parks, Jerry M; Hu, Hao; Cohen, Aron J; Yang, Weitao

2008-10-21

The pseudobond method is used in quantum mechanical/molecular mechanical (QM/MM) simulations in which a covalent bond connects the quantum mechanical and classical subsystems. In this method, the molecular mechanical boundary atom is replaced by a special quantum mechanical atom with one free valence that forms a bond with the rest of the quantum mechanical subsystem. This boundary atom is modified through the use of a parametrized effective core potential and basis set. The pseudobond is designed to reproduce the properties of the covalent bond that it has replaced, while invoking as small a perturbation as possible on the system. Following the work of Zhang [J. Chem. Phys. 122, 024114 (2005)], we have developed new pseudobond parameters for use in the simulation of enzymatic systems. Our parameters yield improved electrostatics and deprotonation energies, while at the same time maintaining accurate geometries. We provide parameters for C(ps)(sp(3))-C(sp(3)), C(ps)(sp(3))-C(sp(2),carbonyl), and C(ps)(sp(3))-N(sp(3)) pseudobonds, which allow the interface between the quantum mechanical and molecular mechanical subsystems to be constructed at either the C(alpha)-C(beta) bond of a given amino acid residue or along the peptide backbone. In addition, we demonstrate the efficiency of our parametrization method by generating residue-specific pseudobond parameters for a single amino acid. Such an approach may enable higher accuracy than general purpose parameters for specific QM/MM applications.

Correlated relativistic dynamics and nuclear effects in dielectronic and visible spectra of highly charged ions

International Nuclear Information System (INIS)

Harman, Z.; Artemyev, A.N.; Crespo Lopez-Urrutia, J.R.

2008-01-01

Dielectronic recombination and visible emission spectra are investigated theoretically and experimentally. Spectra of x-rays emitted from electron beam ion trap plasmas allow the study of correlation and quantum electrodynamic effects in relativistic few-body systems. In the visible range, exploring the forbidden M1 transitions in Be- and B-like argon ions provides one new insights into the relativistic modelling of isotope shift effects and extend the scope of bound-electron g factor measurements to few-electron ions. (author)

Gauge invariance and relativistic effects in X-ray absorption and scattering by solids

International Nuclear Information System (INIS)

Bouldi, N.; Brouder, C.

2017-01-01

There is an incompatibility between gauge invariance and the semi-classical time-dependent perturbation theory commonly used to calculate light absorption and scattering cross-sections. There is an additional incompatibility between perturbation theory and the description of the electron dynamics by a semi-relativistic Hamiltonian. In this paper, the gauge-dependence problem of exact perturbation theory is described, the proposed solutions are reviewed and it is concluded that none of them seems fully satisfactory. The problem is finally solved by using the fully relativistic absorption and scattering cross-sections given by quantum electrodynamics. Then, a new general Foldy-Wouthuysen transformation is presented. It is applied to the many-body case to obtain correct semi-relativistic transition operators. This transformation considerably simplifies the calculation of relativistic corrections. In the process, a new light-matter interaction term emerges, called the spin-position interaction, that contributes significantly to the magnetic X-ray circular dichroism of transition metals. We compare our result with the ones obtained by using several semi-relativistic time-dependent Hamiltonians. In the case of absorption, the final formula agrees with the result obtained from one of them. However, the correct scattering cross-section is not given by any of the semi-relativistic Hamiltonians. (authors)

Matrix elements of the relativistic electron-transition operators

International Nuclear Information System (INIS)

Rudzikas, Z.B.; Slepcov, A.A.; Kickin, I.S.

1976-01-01

The formulas, which enable us to calculate the electric and magnetic multipole transition probabilities in relativistic approximation under various gauge conditions of the electromagnetic potential, are presented. The numerical values of the coefficients of the one-electron reduced matrix elements of the relativistic operators of the electric and magnetic dipole transitions between the configurations K 0 n 2 l 2 j 2 α 0 J 0 j 2 J--K 0 n 1 l 1 j 1 α 0 'J 0 'j 1 J', where K 0 represents any electronic configuration, having the quantum number of the total angular momentum 0 less than or equal to J 0 less than or equal to 8 (the step is 1 / 2 ), and 1 / 2 less than or equal to j 2 , j 1 less than or equal to 7 / 2 , are given

Quantum molecular dynamics study of the Su-Schrieffer-Heeger model

NARCIS (Netherlands)

Michielsen, Kristel; Raedt, Hans De

A quantum molecular dynamics technique is presented to compute the static and dynamic properties of a system of fermions coupled to classical degrees of freedom. The method is employed to investigate the properties of the Su-Schrieffer-Heeger model, an electron-phonon model which is often used to

On non-relativistic electron theory

Energy Technology Data Exchange (ETDEWEB)

Woolley, R G

1975-01-01

A discussion of non-relativistic electron theory, which makes use of the electromagnetic field potentials only as useful working variables in the intermediate stages, is presented. The separation of the (transverse) radiation field from the longitudinal electric field due to the sources is automatic, and as a result, this formalism is often more convenient than the usual Coulomb gauge theory used in molecular physics.

A quantum particle in a box with moving walls

OpenAIRE

Di Martino, Sara; Anza', Fabio; Facchi, Paolo; Kossakowski, Andrzej; Marmo, Giuseppe; Messina, Antonino; Militello, Benedetto; Pascazio, Saverio

2013-01-01

We analyze the non-relativistic problem of a quantum particle that bounces back and forth between two moving walls. We recast this problem into the equivalent one of a quantum particle in a fixed box whose dynamics is governed by an appropriate time-dependent Schroedinger operator.

Quantum Dots for Molecular Diagnostics of Tumors

Science.gov (United States)

Zdobnova, T.A.; Lebedenko, E.N.; Deyev, S.М.

2011-01-01

Semiconductor quantum dots (QDs) are a new class of fluorophores with unique physical and chemical properties, which allow to appreciably expand the possibilities for the current methods of fluorescent imaging and optical diagnostics. Here we discuss the prospects of QD application for molecular diagnostics of tumors ranging from cancer-specific marker detection on microplates to non-invasive tumor imagingin vivo. We also point out the essential problems that require resolution in order to clinically promote QD, and we indicate innovative approaches to oncology which are implementable using QD. PMID:22649672

Quantum spin systems on infinite lattices a concise introduction

CERN Document Server

Naaijkens, Pieter

2017-01-01

This course-based primer offers readers a concise introduction to the description of quantum mechanical systems with infinitely many degrees of freedom – and quantum spin systems in particular – using the operator algebraic approach. Here, the observables are modeled using elements of some operator algebra, usually a C*-algebra. This text introduces readers to the framework and the necessary mathematical tools without assuming much mathematical background, making it more accessible than advanced monographs. The book also highlights the usefulness of the so-called thermodynamic limit of quantum spin systems, which is the limit of infinite system size. For example, this makes it possible to clearly distinguish between local and global properties, without having to keep track of the system size. Together with Lieb-Robinson bounds, which play a similar role in quantum spin systems to that of the speed of light in relativistic theories, this approach allows ideas from relativistic field theories to be implemen...

Higher (odd dimensional quantum Hall effect and extended dimensional hierarchy

Directory of Open Access Journals (Sweden)

Kazuki Hasebe

2017-07-01

Full Text Available We demonstrate dimensional ladder of higher dimensional quantum Hall effects by exploiting quantum Hall effects on arbitrary odd dimensional spheres. Non-relativistic and relativistic Landau models are analyzed on S2k−1 in the SO(2k−1 monopole background. The total sub-band degeneracy of the odd dimensional lowest Landau level is shown to be equal to the winding number from the base-manifold S2k−1 to the one-dimension higher SO(2k gauge group. Based on the chiral Hopf maps, we clarify the underlying quantum Nambu geometry for odd dimensional quantum Hall effect and the resulting quantum geometry is naturally embedded also in one-dimension higher quantum geometry. An origin of such dimensional ladder connecting even and odd dimensional quantum Hall effects is illuminated from a viewpoint of the spectral flow of Atiyah–Patodi–Singer index theorem in differential topology. We also present a BF topological field theory as an effective field theory in which membranes with different dimensions undergo non-trivial linking in odd dimensional space. Finally, an extended version of the dimensional hierarchy for higher dimensional quantum Hall liquids is proposed, and its relationship to quantum anomaly and D-brane physics is discussed.

Local relativistic invariant flows for quantum fields

International Nuclear Information System (INIS)

Albeverio, S.; Hoeegh-Krahn, R.; Sirugue, M.

1983-01-01

For quantum fields with trigonometric interaction in arbitrary space dimension we construct a representation of the Lorentz group by automorphisms on a Banach space generated by the Weyl algebra. (orig.)

An introduction to relativistic quantum field theory

CERN Document Server

Schweber, Silvan S

1961-01-01

Complete, systematic, and self-contained, this text introduces modern quantum field theory. "Combines thorough knowledge with a high degree of didactic ability and a delightful style." - Mathematical Reviews. 1961 edition.

A new vibrational level of the H2+ molecular ion

International Nuclear Information System (INIS)

Carbonell, J.; Lazauskas, R.; Delande, D.; Hilico, L.; Kilic, S.; Hilico, L.; Kilic, S.

2003-01-01

A new vibrational level of the molecular ion H 2 + with binding energy of 1.09 x 10 -9 a.u. ∼ 30 neV below the first dissociation limit is predicted, using highly accurate numerical non-relativistic quantum calculations, which go beyond the Born-Oppenheimer approximation. It is the first-excited vibrational level v=1 of the 2pσ u electronic state, antisymmetric with respect to the exchange of the two protons, with orbital angular momentum L=0. It manifests itself as a huge p - H scattering length of a = 750 ± 5 Bohr radii. (authors)

A new formulation of non-relativistic diffeomorphism invariance

Energy Technology Data Exchange (ETDEWEB)

Banerjee, Rabin, E-mail: rabin@bose.res.in [S.N. Bose National Centre for Basic Sciences, JD Block, Sector III, Salt Lake City, Kolkata-700 098 (India); Mitra, Arpita, E-mail: arpita12t@bose.res.in [S.N. Bose National Centre for Basic Sciences, JD Block, Sector III, Salt Lake City, Kolkata-700 098 (India); Mukherjee, Pradip, E-mail: mukhpradip@gmail.com [Department of Physics, Barasat Government College, Barasat, West Bengal (India)

2014-10-07

We provide a new formulation of non-relativistic diffeomorphism invariance. It is generated by localising the usual global Galilean symmetry. The correspondence with the type of diffeomorphism invariant models currently in vogue in the theory of fractional quantum Hall effect has been discussed. Our construction is shown to open up a general approach of model building in theoretical condensed matter physics. Also, this formulation has the capacity of obtaining Newton–Cartan geometry from the gauge procedure.

Relativistic scattering theory of two charged spinless particles

International Nuclear Information System (INIS)

Alt, E.O.; Hannemann

1985-01-01

In the framework of a relativistic quantum mechanics, the authors calculate for two spinless particles with Coulomb interaction exactly the partial-wave S-matrix and the full scattering amplitude. From the former they can extract the exact binding energies which, when expanded in powers of α, reproduce in the hydrogenic case the fourth-order result of a previous study. In the weak field limit, the latter coincides with the amplitude derived by another study from QED in eikonal approximation

Dielectric response of planar relativistic quantum plasmas

International Nuclear Information System (INIS)

Bardos, D.C.; Frankel, N.E.

1991-01-01

The dielectric response of planar relativistic charged particle-antiparticle plasmas is investigated, treating Fermi and Bose plasmas. The conductivity tensor in each case is derived in the self-consistent Random Phase Approximation. The tensors are then evaluated at zero temperature for the case of no external fields, leading to explicit dispersion relations for the electrodynamic modes of the plasma. The longitudinal and transverse modes are in general coupled for plasma layers. This coupling vanishes, however, in the zero field case, allowing 'effective' longitudinal and transverse dielectric functions to be defined in terms of components of the conductivity tensor. Solutions to the longitudinal mode equations (i.e. plasmon modes) are exhibited, while purely transverse modes are found not to exist. In the case of the Bose plasma the screening of a test charge is investigated in detail. 41 refs., 1 fig

Insight into the Extraction Mechanism of Americium(III) over Europium(III) with Pyridylpyrazole: A Relativistic Quantum Chemistry Study.

Science.gov (United States)

Kong, Xiang-He; Wu, Qun-Yan; Wang, Cong-Zhi; Lan, Jian-Hui; Chai, Zhi-Fang; Nie, Chang-Ming; Shi, Wei-Qun

2018-05-10

Separation of trivalent actinides (An(III)) and lanthanides (Ln(III)) is one of the most important steps in spent nuclear fuel reprocessing. However, it is very difficult and challenging to separate them due to their similar chemical properties. Recently the pyridylpyrazole ligand (PypzH) has been identified to show good separation ability toward Am(III) over Eu(III). In this work, to explore the Am(III)/Eu(III) separation mechanism of PypzH at the molecular level, the geometrical structures, bonding nature, and thermodynamic behaviors of the Am(III) and Eu(III) complexes with PypzH ligands modified by alkyl chains (Cn-PypzH, n = 2, 4, 8) have been systematically investigated using scalar relativistic density functional theory (DFT). According to the NBO (natural bonding orbital) and QTAIM (quantum theory of atoms in molecules) analyses, the M-N bonds exhibit a certain degree of covalent character, and more covalency appears in Am-N bonds compared to Eu-N bonds. Thermodynamic analyses suggest that the 1:1 extraction reaction, [M(NO 3 )(H 2 O) 6 ] 2+ + PypzH + 2NO 3 - → M(PypzH)(NO 3 ) 3 (H 2 O) + 5H 2 O, is the most suitable for Am(III)/Eu(III) separation. Furthermore, the extraction ability and the Am(III)/Eu(III) selectivity of the ligand PypzH is indeed enhanced by adding alkyl-substituted chains in agreement with experimental observations. Besides this, the nitrogen atom of pyrazole ring plays a more significant role in the extraction reactions related to Am(III)/Eu(III) separation compared to that of pyridine ring. This work could identify the mechanism of the Am(III)/Eu(III) selectivity of the ligand PypzH and provide valuable theoretical information for achieving an efficient Am(III)/Eu(III) separation process for spent nuclear fuel reprocessing.

From Quantum Deformations of Relativistic Symmetries to Modified Kinematics and Dynamics

International Nuclear Information System (INIS)

Lukierski, J.

2010-01-01

We present a short review describing the use of noncommutative spacetime in quantum-deformed dynamical theories: classical and quantum mechanics as well as classical and quantum field theory. We expose the role of Hopf algebras and their realizations (noncommutative modules) as important mathematical tool describing quantum-deformed symmetries: quantum Lie groups and quantum Lie algebras. We consider in some detail the most studied examples of noncommutative space-time geometry: the canonical and κ-deformed cases. Finally, we briefly describe the modifications of Einstein gravity obtained by introduction of noncommutative space-time coordinates. (author)

Quantum mechanics selected topics

CERN Document Server

Perelomov, Askold Mikhailovich

1998-01-01

It can serve as a good supplement to any quantum mechanics textbook, filling the gap between standard textbooks and higher-level books on the one hand and journal articles on the other. This book provides a detailed treatment of the scattering theory, multidimensional quasi-classical approximation, non-stationary problems for oscillators and the theory of unstable particles. It will be useful for postgraduate students and researchers who wish to find new, interesting information hidden in the depths of non-relativistic quantum mechanics.

Quantum fictitious forces

DEFF Research Database (Denmark)

Bialynicki-Birula, I; Cirone, M.A.; Dahl, Jens Peder

2002-01-01

We present Heisenberg's equation of motion for the radial variable of a free non-relativistic particle in D dimensions. The resulting radial force consists of three contributions: (i) the quantum fictitious force which is either attractive or repulsive depending on the number of dimensions, (ii......) a singular quantum force located at the origin, and (iii) the centrifugal force associated with non-vanishing angular momentum. Moreover, we use Heisenberg's uncertainty relation to introduce a lower bound for the kinetic energy of an ensemble of neutral particles. This bound is quadratic in the number...... of atoms and can be traced back to the repulsive quantum fictitious potential. All three forces arise for a free particle: "Force without force"....

Solvent fluctuations and nuclear quantum effects modulate the molecular hyperpolarizability of water

Science.gov (United States)

Liang, Chungwen; Tocci, Gabriele; Wilkins, David M.; Grisafi, Andrea; Roke, Sylvie; Ceriotti, Michele

2017-07-01

Second-harmonic scattering (SHS) experiments provide a unique approach to probe noncentrosymmetric environments in aqueous media, from bulk solutions to interfaces, living cells, and tissue. A central assumption made in analyzing SHS experiments is that each molecule scatters light according to a constant molecular hyperpolarizability tensor β(2 ). Here, we investigate the dependence of the molecular hyperpolarizability of water on its environment and internal geometric distortions, in order to test the hypothesis of constant β(2 ). We use quantum chemistry calculations of the hyperpolarizability of a molecule embedded in point-charge environments obtained from simulations of bulk water. We demonstrate that both the heterogeneity of the solvent configurations and the quantum mechanical fluctuations of the molecular geometry introduce large variations in the nonlinear optical response of water. This finding has the potential to change the way SHS experiments are interpreted: In particular, isotopic differences between H2O and D2O could explain recent SHS observations. Finally, we show that a machine-learning framework can predict accurately the fluctuations of the molecular hyperpolarizability. This model accounts for the microscopic inhomogeneity of the solvent and represents a step towards quantitative modeling of SHS experiments.

Planar and non-planar nucleus-acoustic shock structures in self-gravitating degenerate quantum plasma systems

Science.gov (United States)

Zaman, D. M. S.; Amina, M.; Dip, P. R.; Mamun, A. A.

2017-11-01

The basic properties of planar and non-planar (spherical and cylindrical) nucleus-acoustic (NA) shock structures (SSs) in a strongly coupled self-gravitating degenerate quantum plasma system (containing strongly coupled non-relativistically degenerate heavy nuclear species, weakly coupled non-relativistically degenerate light nuclear species, and inertialess non-/ultra-relativistically degenerate electrons) have been investigated. The generalized quantum hydrodynamic model and the reductive perturbation method have been used to derive the modified Burgers equation. It is shown that the strong correlation among heavy nuclear species acts as the source of dissipation and is responsible for the formation of the NA SSs with positive (negative) electrostatic (self-gravitational) potential. It is also observed that the effects of non-/ultra-relativistically degenerate electron pressure, dynamics of non-relativistically degenerate light nuclear species, spherical geometry, etc., significantly modify the basic features of the NA SSs. The applications of our results in astrophysical compact objects like white dwarfs and neutron stars are briefly discussed.

24-Hour Relativistic Bit Commitment.

Science.gov (United States)

Verbanis, Ephanielle; Martin, Anthony; Houlmann, Raphaël; Boso, Gianluca; Bussières, Félix; Zbinden, Hugo

2016-09-30

Bit commitment is a fundamental cryptographic primitive in which a party wishes to commit a secret bit to another party. Perfect security between mistrustful parties is unfortunately impossible to achieve through the asynchronous exchange of classical and quantum messages. Perfect security can nonetheless be achieved if each party splits into two agents exchanging classical information at times and locations satisfying strict relativistic constraints. A relativistic multiround protocol to achieve this was previously proposed and used to implement a 2-millisecond commitment time. Much longer durations were initially thought to be insecure, but recent theoretical progress showed that this is not so. In this Letter, we report on the implementation of a 24-hour bit commitment solely based on timed high-speed optical communication and fast data processing, with all agents located within the city of Geneva. This duration is more than 6 orders of magnitude longer than before, and we argue that it could be extended to one year and allow much more flexibility on the locations of the agents. Our implementation offers a practical and viable solution for use in applications such as digital signatures, secure voting and honesty-preserving auctions.

Self-energy quantum electrodynamics: Multipole radiation

International Nuclear Information System (INIS)

Salamin, Y.I.

1993-01-01

Within the context of Barut's self-field approach to quantum electrodynamics, it is shown that the exact relativistic expression for the Einstein A-coefficient of atomic spontaneous emission reduces, in the long wavelength approximation, to a form containing electric- and magnetic-like multipole contributions related to the transition charge and current distributions of the relativistic electron. A number of interesting features of the expressions involved are discussed, and their generalization to interacting composite systems is also pointed out. 10 refs

Electronic structure of molecules using relativistic effective core potentials

International Nuclear Information System (INIS)

Hay, P.J.

1983-01-01

In this review an approach is outlined for studying molecules containing heavy atoms with the use of relativistic effective core potentials (RECP's). These potentials play the dual roles of (1) replacing the chemically-inert core electrons and (2) incorporating the mass velocity and Darwin term into a one-electron effective potential. This reduces the problem to a valence-electron problem and avoids computation of additional matrix elements involving relativistic operators. The spin-orbit effects are subsequently included using the molecular orbitals derived from the RECP calculation as a basis

Quantum Tunneling of Magnetization in Single Molecular Magnets Coupled to Ferromagnetic Reservoirs

OpenAIRE

Misiorny, Maciej; Barnas, Józef

2006-01-01

The role of spin polarized reservoirs in quantum tunneling of magnetization and relaxation processes in a single molecular magnet (SMM) is investigated theoretically. The SMM is exchange-coupled to the reservoirs and also subjected to a magnetic field varying in time, which enables the quantum tunneling of magnetization (QTM). The spin relaxation times are calculated from the Fermi golden rule. The exchange interaction with tunneling electrons is shown to affect the spin reversal due to QTM. ...

Relativistic density matrix in the diagonal momentum representation. Fermi-gas

International Nuclear Information System (INIS)

Makhlin, A.N.; Sinyukov, Yu.M.

1984-01-01

The relativistically invariant theory of ideal Fermi-gas is built in the framework of the quantum field theory. The average occupation numbers and correlation functions of statistical systems are found on the equal-time surfaces of arbitrary inertial frames. The effects of anisotropy in their behaviour are pointed out. The partition function method is developed to calculate the thermodynamic quantities of Fermi-gases moving as a whole

Vectorization, parallelization and implementation of Quantum molecular dynamics codes (QQQF, MONTEV)

Energy Technology Data Exchange (ETDEWEB)

Kato, Kaori [High Energy Accelerator Research Organization, Tsukuba, Ibaraki (Japan); Kunugi, Tomoaki; Kotake, Susumu; Shibahara, Masahiko

1998-03-01

This report describes parallelization, vectorization and implementation for two simulation codes, Quantum molecular dynamics simulation code QQQF and Photon montecalro molecular dynamics simulation code MONTEV, that have been developed for the analysis of the thermalization of photon energies in the molecule or materials. QQQF has been vectorized and parallelized on Fujitsu VPP and has been implemented from VPP to Intel Paragon XP/S and parallelized. MONTEV has been implemented from VPP to Paragon and parallelized. (author)

Expectation values of $r^{q}$ between Dirac and quasirelativistic wave functions in the quantum-defect approximation