Relationship between quantum walks and relativistic quantum mechanics

International Nuclear Information System (INIS)

Chandrashekar, C. M.; Banerjee, Subhashish; Srikanth, R.

2010-01-01

Quantum walk models have been used as an algorithmic tool for quantum computation and to describe various physical processes. This article revisits the relationship between relativistic quantum mechanics and the quantum walks. We show the similarities of the mathematical structure of the decoupled and coupled forms of the discrete-time quantum walk to that of the Klein-Gordon and Dirac equations, respectively. In the latter case, the coin emerges as an analog of the spinor degree of freedom. Discrete-time quantum walk as a coupled form of the continuous-time quantum walk is also shown by transforming the decoupled form of the discrete-time quantum walk to the Schroedinger form. By showing the coin to be a means to make the walk reversible and that the Dirac-like structure is a consequence of the coin use, our work suggests that the relativistic causal structure is a consequence of conservation of information. However, decoherence (modeled by projective measurements on position space) generates entropy that increases with time, making the walk irreversible and thereby producing an arrow of time. The Lieb-Robinson bound is used to highlight the causal structure of the quantum walk to put in perspective the relativistic structure of the quantum walk, the maximum speed of walk propagation, and earlier findings related to the finite spread of the walk probability distribution. We also present a two-dimensional quantum walk model on a two-state system to which the study can be extended.

Relativistic Quantum Transport in Graphene Systems

Science.gov (United States)

2015-07-09

dimensional Dirac material systems. 2 List of Publications 1. X. Ni, L. Huang, Y.-C. Lai, and L. M. Pecora, “Effect of chaos on relativistic quantum...development of relativistic quantum devices based on graphene or alternative two-dimensional Dirac material systems. In the project period, we studied

Relativistic quantum metrology: exploiting relativity to improve quantum measurement technologies.

Science.gov (United States)

Ahmadi, Mehdi; Bruschi, David Edward; Sabín, Carlos; Adesso, Gerardo; Fuentes, Ivette

2014-05-22

We present a framework for relativistic quantum metrology that is useful for both Earth-based and space-based technologies. Quantum metrology has been so far successfully applied to design precision instruments such as clocks and sensors which outperform classical devices by exploiting quantum properties. There are advanced plans to implement these and other quantum technologies in space, for instance Space-QUEST and Space Optical Clock projects intend to implement quantum communications and quantum clocks at regimes where relativity starts to kick in. However, typical setups do not take into account the effects of relativity on quantum properties. To include and exploit these effects, we introduce techniques for the application of metrology to quantum field theory. Quantum field theory properly incorporates quantum theory and relativity, in particular, at regimes where space-based experiments take place. This framework allows for high precision estimation of parameters that appear in quantum field theory including proper times and accelerations. Indeed, the techniques can be applied to develop a novel generation of relativistic quantum technologies for gravimeters, clocks and sensors. As an example, we present a high precision device which in principle improves the state-of-the-art in quantum accelerometers by exploiting relativistic effects.

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.

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)

Quantum chemistry

CERN Document Server

Lowe, John P

1993-01-01

Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom,

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.

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 chemistry on quantum computers

Czech Academy of Sciences Publication Activity Database

Veis, Libor; Višňák, Jakub; Fleig, T.; Knecht, S.; Saue, T.; Visscher, L.; Pittner, Jiří

2012-01-01

Roč. 85, č. 3 (2012), 030304 ISSN 1050-2947 R&D Projects: GA ČR GA203/08/0626 Institutional support: RVO:61388955 Keywords : simulation * algorithm * computation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.042, year: 2012

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

Exploiting Locality in Quantum Computation for Quantum Chemistry.

Science.gov (United States)

McClean, Jarrod R; Babbush, Ryan; Love, Peter J; Aspuru-Guzik, Alán

2014-12-18

Accurate prediction of chemical and material properties from first-principles quantum chemistry is a challenging task on traditional computers. Recent developments in quantum computation offer a route toward highly accurate solutions with polynomial cost; however, this solution still carries a large overhead. In this Perspective, we aim to bring together known results about the locality of physical interactions from quantum chemistry with ideas from quantum computation. We show that the utilization of spatial locality combined with the Bravyi-Kitaev transformation offers an improvement in the scaling of known quantum algorithms for quantum chemistry and provides numerical examples to help illustrate this point. We combine these developments to improve the outlook for the future of quantum chemistry on quantum computers.

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.

Second quantized approach to quantum chemistry

International Nuclear Information System (INIS)

Surjan, P.R.

1989-01-01

The subject of this book is the application of the second quantized approach to quantum chemistry. Second quantization is an alternative tool for dealing with many-electron theory. The vast majority of quantum chemical problems are more easily treated using second quantization as a language. This book offers a simple and pedagogical presentation of the theory and some applications. The reader is not supposed to be trained in higher mathematics, though familiarity with elementary quantum mechanics and quantum chemistry is assumed. Besides the basic formalism and standard illustrative applications, some recent topics of quantum chemistry are reviewed in some detail. This book bridges the gap between sophisticated quantum theory and practical quantum chemistry. (orig.)

Introductory quantum chemistry

International Nuclear Information System (INIS)

Chandra, A.K.

1974-01-01

This book on quantum chemistry is primarily intended for university students at the senior undergraduate level. It serves as an aid to the basic understanding of the important concepts of quantum mechanics introduced in the field of chemistry. Various chapters of the book are devoted to the following : (i) Waves and quanta, (ii) Operator concept in quantum chemistry, (iii) Wave mechanics of some simple systems, (iv) Perturbation theory, (v) Many-electron atoms and angular momenta (vi) Molecular orbital theory and its application to the electronic structure of diatomic molecules, (vii) Chemical bonding in polyatomic molecules and (viii) Chemical applications of Hellmann-Feynman theorem. At the end of each chapter, a set of problems is given and the answers to these problems are given at the end of the book. (A.K.)

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.

Advances in quantum chemistry

CERN Document Server

Sabin, John R

2013-01-01

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features

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.

Quantum chemistry simulation on quantum computers: theories and experiments.

Science.gov (United States)

Lu, Dawei; Xu, Boruo; Xu, Nanyang; Li, Zhaokai; Chen, Hongwei; Peng, Xinhua; Xu, Ruixue; Du, Jiangfeng

2012-07-14

It has been claimed that quantum computers can mimic quantum systems efficiently in the polynomial scale. Traditionally, those simulations are carried out numerically on classical computers, which are inevitably confronted with the exponential growth of required resources, with the increasing size of quantum systems. Quantum computers avoid this problem, and thus provide a possible solution for large quantum systems. In this paper, we first discuss the ideas of quantum simulation, the background of quantum simulators, their categories, and the development in both theories and experiments. We then present a brief introduction to quantum chemistry evaluated via classical computers followed by typical procedures of quantum simulation towards quantum chemistry. Reviewed are not only theoretical proposals but also proof-of-principle experimental implementations, via a small quantum computer, which include the evaluation of the static molecular eigenenergy and the simulation of chemical reaction dynamics. Although the experimental development is still behind the theory, we give prospects and suggestions for future experiments. We anticipate that in the near future quantum simulation will become a powerful tool for quantum chemistry over classical computations.

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.

Computational quantum chemistry website

International Nuclear Information System (INIS)

1997-01-01

This report contains the contents of a web page related to research on the development of quantum chemistry methods for computational thermochemistry and the application of quantum chemistry methods to problems in material chemistry and chemical sciences. Research programs highlighted include: Gaussian-2 theory; Density functional theory; Molecular sieve materials; Diamond thin-film growth from buckyball precursors; Electronic structure calculations on lithium polymer electrolytes; Long-distance electronic coupling in donor/acceptor molecules; and Computational studies of NOx reactions in radioactive waste storage

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

Computing protein infrared spectroscopy with quantum chemistry.

Science.gov (United States)

Besley, Nicholas A

2007-12-15

Quantum chemistry is a field of science that has undergone unprecedented advances in the last 50 years. From the pioneering work of Boys in the 1950s, quantum chemistry has evolved from being regarded as a specialized and esoteric discipline to a widely used tool that underpins much of the current research in chemistry today. This achievement was recognized with the award of the 1998 Nobel Prize in Chemistry to John Pople and Walter Kohn. As the new millennium unfolds, quantum chemistry stands at the forefront of an exciting new era. Quantitative calculations on systems of the magnitude of proteins are becoming a realistic possibility, an achievement that would have been unimaginable to the early pioneers of quantum chemistry. In this article we will describe ongoing work towards this goal, focusing on the calculation of protein infrared amide bands directly with quantum chemical methods.

Quantum chemistry on a superconducting quantum processor

Energy Technology Data Exchange (ETDEWEB)

Kaicher, Michael P.; Wilhelm, Frank K. [Theoretical Physics, Saarland University, 66123 Saarbruecken (Germany); Love, Peter J. [Department of Physics and Astronomy, Tufts University, Medford, MA 02155 (United States)

2016-07-01

Quantum chemistry is the most promising civilian application for quantum processors to date. We study its adaptation to superconducting (sc) quantum systems, computing the ground state energy of LiH through a variational hybrid quantum classical algorithm. We demonstrate how interactions native to sc qubits further reduce the amount of quantum resources needed, pushing sc architectures as a near-term candidate for simulations of more complex atoms/molecules.

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.

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.

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

Recent development in computational actinide chemistry

International Nuclear Information System (INIS)

Li Jun

2008-01-01

Ever since the Manhattan project in World War II, actinide chemistry has been essential for nuclear science and technology. Yet scientists still seek the ability to interpret and predict chemical and physical properties of actinide compounds and materials using first-principle theory and computational modeling. Actinide compounds are challenging to computational chemistry because of their complicated electron correlation effects and relativistic effects, including spin-orbit coupling effects. There have been significant developments in theoretical studies on actinide compounds in the past several years. The theoretical capabilities coupled with new experimental characterization techniques now offer a powerful combination for unraveling the complexities of actinide chemistry. In this talk, we will provide an overview of our own research in this field, with particular emphasis on applications of relativistic density functional and ab initio quantum chemical methods to the geometries, electronic structures, spectroscopy and excited-state properties of small actinide molecules such as CUO and UO 2 and some large actinide compounds relevant to separation and environment science. The performance of various density functional approaches and wavefunction theory-based electron correlation methods will be compared. The results of computational modeling on the vibrational, electronic, and NMR spectra of actinide compounds will be briefly discussed as well [1-4]. We will show that progress in relativistic quantum chemistry, computer hardware and computational chemistry software has enabled computational actinide chemistry to emerge as a powerful and predictive tool for research in actinide chemistry. (authors)

Principles of quantum chemistry

CERN Document Server

George, David V

2013-01-01

Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems.This book describes chemical bonding and its two specific problems - bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the early development of quantum theory; particle-in-a-box; general formulation of the theory of quantum mechanics; and treatment of angular momentum in quantum mechanics. The examples of solutions of Schroedinger equations; approximation methods in quantum c

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

Per-Olov Löwdin - father of quantum chemistry

Science.gov (United States)

Brändas, Erkki J.

2017-09-01

During 2016, we celebrate the 100th anniversary of the birth of Per-Olov Löwdin. He was appointed to the first Lehrstuhl in quantum chemistry at Uppsala University in 1960. Löwdin introduced quantum chemistry as a field in its own right by formulating its goals, establishing fundamental concepts, like the correlation energy, the method of configuration interaction, reduced density matrices, natural spin orbitals, charge and bond order matrices, symmetric orthogonalisation, and generalised self-consistent fields. His exposition of partitioning technique and perturbation theory, wave and reaction operators and associated non-linear summation techniques, introduced mathematical rigour and deductive order in the interpretative organisation of the new field. He brought the first computer to Uppsala University and pioneered the initiation of 'electronic brains' and anticipated their significance for quantum chemistry. Perhaps his single most influential contribution to the field was his education of two generations of future faculty in quantum chemistry through Summer Schools in the Scandinavian Mountains, Winter Institutes at Sanibel Island in the Gulf of Mexico. Per-Olov Löwdin founded the book series Advances in Quantum Chemistry and the International Journal of Quantum Chemistry. The evolution of quantum chemistry is appraised, starting from a collection of cross-disciplinary applications of quantum mechanics to the technologically advanced and predominant field of today, virtually used in all branches of chemistry. The scientific work of Per-Olov Löwdin has been crucial for the development of this new important province of science.

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.

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

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

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.

Quantum chemistry an introduction

CERN Document Server

Kauzmann, Walter

2013-01-01

Quantum Chemistry: An Introduction provides information pertinent to the fundamental aspects of quantum mechanics. This book presents the theory of partial differentiation equations by using the classical theory of vibrations as a means of developing physical insight into this essential branch of mathematics.Organized into five parts encompassing 16 chapters, this book begins with an overview of how quantum mechanical deductions are made. This text then describes the achievements and limitations of the application of quantum mechanics to chemical problems. Other chapters provide a brief survey

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.)

Quantum mechanics in chemistry

CERN Document Server

Schatz, George C

2002-01-01

Intended for graduate and advanced undergraduate students, this text explores quantum mechanical techniques from the viewpoint of chemistry and materials science. Dynamics, symmetry, and formalism are emphasized. An initial review of basic concepts from introductory quantum mechanics is followed by chapters examining symmetry, rotations, and angular momentum addition. Chapter 4 introduces the basic formalism of time-dependent quantum mechanics, emphasizing time-dependent perturbation theory and Fermi's golden rule. Chapter 5 sees this formalism applied to the interaction of radiation and matt

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

Remedial mathematics for quantum chemistry

NARCIS (Netherlands)

Koopman, L.; Brouwer, N.; Heck, A.; Buma, W.J.

2008-01-01

Proper mathematical skills are important for every science course and mathematics-intensive chemistry courses rely on a sound mathematical pre-knowledge. In the first-year quantum chemistry course at this university, it was noticed that many students lack basic mathematical knowledge. To tackle the

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 ...

From wave mechanics to quantum chemistry

International Nuclear Information System (INIS)

Daudel, R.

1996-01-01

The origin of wave mechanics, which is now called quantum mechanics, is evoked. The main stages of the birth of quantum chemistry are related as resulting from the application of quantum mechanics to the study of molecular properties and chemical reactions. (author). 14 refs

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.

A Quantum Chemistry Concept Inventory for Physical Chemistry Classes

Science.gov (United States)

Dick-Perez, Marilu; Luxford, Cynthia J.; Windus, Theresa L.; Holme, Thomas

2016-01-01

A 14-item, multiple-choice diagnostic assessment tool, the quantum chemistry concept inventory or QCCI, is presented. Items were developed based on published student misconceptions and content coverage and then piloted and used in advanced physical chemistry undergraduate courses. In addition to the instrument itself, data from both a pretest,…

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

Introducing Relativity into Quantum Chemistry

Science.gov (United States)

Li, Wai-Kee; Blinder, S. M.

2011-01-01

It is not often realized by chemists that the special theory of relativity is behind several aspects of quantum chemistry. The Schrdinger equation itself is based on relations between space-time and energy-momentum four vectors. Electron spin is, of course, the most obvious manifestation of relativity. The chemistry of some heavy elements is…

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

Disciplines, models, and computers: the path to computational quantum chemistry.

Science.gov (United States)

Lenhard, Johannes

2014-12-01

Many disciplines and scientific fields have undergone a computational turn in the past several decades. This paper analyzes this sort of turn by investigating the case of computational quantum chemistry. The main claim is that the transformation from quantum to computational quantum chemistry involved changes in three dimensions. First, on the side of instrumentation, small computers and a networked infrastructure took over the lead from centralized mainframe architecture. Second, a new conception of computational modeling became feasible and assumed a crucial role. And third, the field of computa- tional quantum chemistry became organized in a market-like fashion and this market is much bigger than the number of quantum theory experts. These claims will be substantiated by an investigation of the so-called density functional theory (DFT), the arguably pivotal theory in the turn to computational quantum chemistry around 1990.

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.

Fundamentals of quantum chemistry

CERN Document Server

House, J E

2004-01-01

An introduction to the principles of quantum mechanics needed in physical chemistry. Mathematical tools are presented and developed as needed and only basic calculus, chemistry, and physics is assumed. Applications include atomic and molecular structure, spectroscopy, alpha decay, tunneling, and superconductivity. New edition includes sections on perturbation theory, orbital symmetry of diatomic molecules, the Huckel MO method and Woodward/Hoffman rules as well as a new chapter on SCF and Hartree-Fock methods. * This revised text clearly presents basic q

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

Large-scale parallel configuration interaction. I. Nonrelativisticand scalar-relativistic general active space implementationwith application to (Rb-Ba)+

DEFF Research Database (Denmark)

Knecht, Stefan; Jensen, Hans Jørgen Aagaard; Fleig, Timo

2008-01-01

We present a parallel implementation of a string-driven general active space configuration interaction program for nonrelativistic and scalar-relativistic electronic-structure calculations. The code has been modularly incorporated in the DIRAC quantum chemistry program package. The implementation...

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.

From transistor to trapped-ion computers for quantum chemistry.

Science.gov (United States)

Yung, M-H; Casanova, J; Mezzacapo, A; McClean, J; Lamata, L; Aspuru-Guzik, A; Solano, E

2014-01-07

Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when applied to large quantum systems. As pointed out by Feynman, this restriction is intrinsic to all computational models based on classical physics. Recently, the rapid advancement of trapped-ion technologies has opened new possibilities for quantum control and quantum simulations. Here, we present an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. We focus on applications that go beyond the capacity of classical computers, but may be realizable on state-of-the-art trapped-ion systems. These results allow us to envision a new paradigm of quantum chemistry that shifts from the current transistor to a near-future trapped-ion-based technology.

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)

Virtually going green: The role of quantum computational chemistry in reducing pollution and toxicity in chemistry

Science.gov (United States)

Stevens, Jonathan

2017-07-01

Continuing advances in computational chemistry has permitted quantum mechanical calculation to assist in research in green chemistry and to contribute to the greening of chemical practice. Presented here are recent examples illustrating the contribution of computational quantum chemistry to green chemistry, including the possibility of using computation as a green alternative to experiments, but also illustrating contributions to greener catalysis and the search for greener solvents. Examples of applications of computation to ambitious projects for green synthetic chemistry using carbon dioxide are also presented.

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.)

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

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.

Quantum chemistry in environmental pesticide risk assessment.

Science.gov (United States)

Villaverde, Juan J; López-Goti, Carmen; Alcamí, Manuel; Lamsabhi, Al Mokhtar; Alonso-Prados, José L; Sandín-España, Pilar

2017-11-01

The scientific community and regulatory bodies worldwide, currently promote the development of non-experimental tests that produce reliable data for pesticide risk assessment. The use of standard quantum chemistry methods could allow the development of tools to perform a first screening of compounds to be considered for the experimental studies, improving the risk assessment. This fact results in a better distribution of resources and in better planning, allowing a more exhaustive study of the pesticides and their metabolic products. The current paper explores the potential of quantum chemistry in modelling toxicity and environmental behaviour of pesticides and their by-products by using electronic descriptors obtained computationally. Quantum chemistry has potential to estimate the physico-chemical properties of pesticides, including certain chemical reaction mechanisms and their degradation pathways, allowing modelling of the environmental behaviour of both pesticides and their by-products. In this sense, theoretical methods can contribute to performing a more focused risk assessment of pesticides used in the market, and may lead to higher quality and safer agricultural products. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Handbook of computational quantum chemistry

CERN Document Server

Cook, David B

2005-01-01

Quantum chemistry forms the basis of molecular modeling, a tool widely used to obtain important chemical information and visual images of molecular systems. Recent advances in computing have resulted in considerable developments in molecular modeling, and these developments have led to significant achievements in the design and synthesis of drugs and catalysts. This comprehensive text provides upper-level undergraduates and graduate students with an introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations.Wri

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.

Quantum Chemistry; A concise introduction for students of physics, chemistry, biochemistry and materials science

Science.gov (United States)

Thakkar, Ajit J.

2017-09-01

This book provides non-specialists with a basic understanding of the underlying concepts of quantum chemistry. It is both a text for second- or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely use spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference.

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.)

Density functional theory in quantum chemistry

CERN Document Server

Tsuneda, Takao

2014-01-01

This book examines density functional theory based on the foundation of quantum chemistry. Unconventional in approach, it reviews basic concepts, then describes the physical meanings of state-of-the-art exchange-correlation functionals and their corrections.

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)

Solutions to selected exercise problems in quantum chemistry and spectroscopy

DEFF Research Database (Denmark)

Spanget-Larsen, Jens

2016-01-01

Suggested solutions to a number of problems from the collection "Exercise Problems in Quantum Chemistry and Spectroscopy", previously published on ResearchGate (DOI: 10.13140/RG.2.1.4024.8162).......Suggested solutions to a number of problems from the collection "Exercise Problems in Quantum Chemistry and Spectroscopy", previously published on ResearchGate (DOI: 10.13140/RG.2.1.4024.8162)....

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.))

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

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

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

Faster quantum chemistry simulation on fault-tolerant quantum computers

International Nuclear Information System (INIS)

Cody Jones, N; McMahon, Peter L; Yamamoto, Yoshihisa; Whitfield, James D; Yung, Man-Hong; Aspuru-Guzik, Alán; Van Meter, Rodney

2012-01-01

Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. We propose methods which substantially improve the performance of a particular form of simulation, ab initio quantum chemistry, on fault-tolerant quantum computers; these methods generalize readily to other quantum simulation problems. Quantum teleportation plays a key role in these improvements and is used extensively as a computing resource. To improve execution time, we examine techniques for constructing arbitrary gates which perform substantially faster than circuits based on the conventional Solovay–Kitaev algorithm (Dawson and Nielsen 2006 Quantum Inform. Comput. 6 81). For a given approximation error ϵ, arbitrary single-qubit gates can be produced fault-tolerantly and using a restricted set of gates in time which is O(log ϵ) or O(log log ϵ); with sufficient parallel preparation of ancillas, constant average depth is possible using a method we call programmable ancilla rotations. Moreover, we construct and analyze efficient implementations of first- and second-quantized simulation algorithms using the fault-tolerant arbitrary gates and other techniques, such as implementing various subroutines in constant time. A specific example we analyze is the ground-state energy calculation for lithium hydride. (paper)

Enabling new capabilities and insights from quantum chemistry by using component architectures

International Nuclear Information System (INIS)

Janssen, C L; Kenny, J P; Nielsen, I M B; Krishnan, M; Gurumoorthi, V; Valeev, E F; Windus, T L

2006-01-01

Steady performance gains in computing power, as well as improvements in Scientific computing algorithms, are making possible the study of coupled physical phenomena of great extent and complexity. The software required for such studies is also very complex and requires contributions from experts in multiple disciplines. We have investigated the use of the Common Component Architecture (CCA) as a mechanism to tackle some of the resulting software engineering challenges in quantum chemistry, focusing on three specific application areas. In our first application, we have developed interfaces permitting solvers and quantum chemistry packages to be readily exchanged. This enables our quantum chemistry packages to be used with alternative solvers developed by specialists, remedying deficiencies we discovered in the native solvers provided in each of the quantum chemistry packages. The second application involves development of a set of components designed to improve utilization of parallel machines by allowing multiple components to execute concurrently on subsets of the available processors. This was found to give substantial improvements in parallel scalability. Our final application is a set of components permitting different quantum chemistry packages to interchange intermediate data. These components enabled the investigation of promising new methods for obtaining accurate thermochemical data for reactions involving heavy elements

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.

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)

Quantum chemistry literature data base

International Nuclear Information System (INIS)

Ohno, Kimio; Morokuma, Keiji

1982-01-01

Ab initio computations of atomic and molecular electronic structure now appear in so many journals that it is very difficult for interested scientistics to locate proper and comprehensive references. This book is designed to help them and contains more than 2500 references to the literature published in the years 1978-1980. These have been gathered from nineteen well-known international core journals by quantum chemists themselves and the result is a thorough bibliography. Each entry is a full reference consisting of the following items: (1) authors, (2) journal name, volume, page and year, (3) compounds, (4) methods of calculation, (5) basis sets, (6) calculated properties, and (7) comments. For easy access to the references, the reader can consult the compound and author indexes. A short article on the reliability of ab initio calculations is included as an appendix; this gives a rough idea about the accuracy of the calculated results reported. As the book has been complied using the resources of a computer data base of quantum chemistry literature, it is particularly up to date and the authors will be able to provide supplements regularly. This bibliography will be an asset to large departments of chemistry and all university libraries. (orig.)

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.

Cold molecules: Progress in quantum engineering of chemistry and quantum matter

Science.gov (United States)

Bohn, John L.; Rey, Ana Maria; Ye, Jun

2017-09-01

Cooling atoms to ultralow temperatures has produced a wealth of opportunities in fundamental physics, precision metrology, and quantum science. The more recent application of sophisticated cooling techniques to molecules, which has been more challenging to implement owing to the complexity of molecular structures, has now opened the door to the longstanding goal of precisely controlling molecular internal and external degrees of freedom and the resulting interaction processes. This line of research can leverage fundamental insights into how molecules interact and evolve to enable the control of reaction chemistry and the design and realization of a range of advanced quantum materials.

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)

Quantum chemistry and scientific calculus

International Nuclear Information System (INIS)

Gervais, H.P.

1988-01-01

The 1988 progress report of the Polytechnic School research team, concerning the quantum chemistry and the scientific calculus. The research program involves the following topics: the transition metals - carbon monoxide systems, which are a suitable model for the chemisorption phenomena; the introduction of the vibronic perturbations in the magnetic screen constants; the gauge invariance method (used in the calculation of the magnetic perturbations), extended to the case of the static or dynamic electrical polarizabilities. The published papers, the congress communications and the thesis are listed [fr

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

Optimizing qubit resources for quantum chemistry simulations in second quantization on a quantum computer

International Nuclear Information System (INIS)

Moll, Nikolaj; Fuhrer, Andreas; Staar, Peter; Tavernelli, Ivano

2016-01-01

Quantum chemistry simulations on a quantum computer suffer from the overhead needed for encoding the Fermionic problem in a system of qubits. By exploiting the block diagonality of a Fermionic Hamiltonian, we show that the number of required qubits can be reduced while the number of terms in the Hamiltonian will increase. All operations for this reduction can be performed in operator space. The scheme is conceived as a pre-computational step that would be performed prior to the actual quantum simulation. We apply this scheme to reduce the number of qubits necessary to simulate both the Hamiltonian of the two-site Fermi–Hubbard model and the hydrogen molecule. Both quantum systems can then be simulated with a two-qubit quantum computer. Despite the increase in the number of Hamiltonian terms, the scheme still remains a useful tool to reduce the dimensionality of specific quantum systems for quantum simulators with a limited number of resources. (paper)

Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry.

Science.gov (United States)

Rappoport, Dmitrij; Galvin, Cooper J; Zubarev, Dmitry Yu; Aspuru-Guzik, Alán

2014-03-11

While structures and reactivities of many small molecules can be computed efficiently and accurately using quantum chemical methods, heuristic approaches remain essential for modeling complex structures and large-scale chemical systems. Here, we present a heuristics-aided quantum chemical methodology applicable to complex chemical reaction networks such as those arising in cell metabolism and prebiotic chemistry. Chemical heuristics offer an expedient way of traversing high-dimensional reactive potential energy surfaces and are combined here with quantum chemical structure optimizations, which yield the structures and energies of the reaction intermediates and products. Application of heuristics-aided quantum chemical methodology to the formose reaction reproduces the experimentally observed reaction products, major reaction pathways, and autocatalytic cycles.

Automatic Differentiation in Quantum Chemistry with Applications to Fully Variational Hartree-Fock.

Science.gov (United States)

Tamayo-Mendoza, Teresa; Kreisbeck, Christoph; Lindh, Roland; Aspuru-Guzik, Alán

2018-05-23

Automatic differentiation (AD) is a powerful tool that allows calculating derivatives of implemented algorithms with respect to all of their parameters up to machine precision, without the need to explicitly add any additional functions. Thus, AD has great potential in quantum chemistry, where gradients are omnipresent but also difficult to obtain, and researchers typically spend a considerable amount of time finding suitable analytical forms when implementing derivatives. Here, we demonstrate that AD can be used to compute gradients with respect to any parameter throughout a complete quantum chemistry method. We present DiffiQult , a Hartree-Fock implementation, entirely differentiated with the use of AD tools. DiffiQult is a software package written in plain Python with minimal deviation from standard code which illustrates the capability of AD to save human effort and time in implementations of exact gradients in quantum chemistry. We leverage the obtained gradients to optimize the parameters of one-particle basis sets in the context of the floating Gaussian framework.

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)

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

Human development VIII: a theory of "deep" quantum chemistry and cell consciousness: quantum chemistry controls genes and biochemistry to give cells and higher organisms consciousness and complex behavior.

Science.gov (United States)

Ventegodt, Søren; Hermansen, Tyge Dahl; Flensborg-Madsen, Trine; Nielsen, Maj Lyck; Merrick, Joav

2006-11-14

Deep quantum chemistry is a theory of deeply structured quantum fields carrying the biological information of the cell, making it able to remember, intend, represent the inner and outer world for comparison, understand what it "sees", and make choices on its structure, form, behavior and division. We suggest that deep quantum chemistry gives the cell consciousness and all the qualities and abilities related to consciousness. We use geometric symbolism, which is a pre-mathematical and philosophical approach to problems that cannot yet be handled mathematically. Using Occam's razor we have started with the simplest model that works; we presume this to be a many-dimensional, spiral fractal. We suggest that all the electrons of the large biological molecules' orbitals make one huge "cell-orbital", which is structured according to the spiral fractal nature of quantum fields. Consciousness of single cells, multi cellular structures as e.g. organs, multi-cellular organisms and multi-individual colonies (like ants) and human societies can thus be explained by deep quantum chemistry. When biochemical activity is strictly controlled by the quantum-mechanical super-orbital of the cell, this orbital can deliver energetic quanta as biological information, distributed through many fractal levels of the cell to guide form and behavior of an individual single or a multi-cellular organism. The top level of information is the consciousness of the cell or organism, which controls all the biochemical processes. By this speculative work inspired by Penrose and Hameroff we hope to inspire other researchers to formulate more strict and mathematically correct hypothesis on the complex and coherence nature of matter, life and consciousness.

Chemistry of the superheavy elements.

Science.gov (United States)

Schädel, Matthias

2015-03-13

The quest for superheavy elements (SHEs) is driven by the desire to find and explore one of the extreme limits of existence of matter. These elements exist solely due to their nuclear shell stabilization. All 15 presently 'known' SHEs (11 are officially 'discovered' and named) up to element 118 are short-lived and are man-made atom-at-a-time in heavy ion induced nuclear reactions. They are identical to the transactinide elements located in the seventh period of the periodic table beginning with rutherfordium (element 104), dubnium (element 105) and seaborgium (element 106) in groups 4, 5 and 6, respectively. Their chemical properties are often surprising and unexpected from simple extrapolations. After hassium (element 108), chemistry has now reached copernicium (element 112) and flerovium (element 114). For the later ones, the focus is on questions of their metallic or possibly noble gas-like character originating from interplay of most pronounced relativistic effects and electron-shell effects. SHEs provide unique opportunities to get insights into the influence of strong relativistic effects on the atomic electrons and to probe 'relativistically' influenced chemical properties and the architecture of the periodic table at its farthest reach. In addition, they establish a test bench to challenge the validity and predictive power of modern fully relativistic quantum chemical models. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

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

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

Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach.

Science.gov (United States)

Ramakrishnan, Raghunathan; Dral, Pavlo O; Rupp, Matthias; von Lilienfeld, O Anatole

2015-05-12

Chemically accurate and comprehensive studies of the virtual space of all possible molecules are severely limited by the computational cost of quantum chemistry. We introduce a composite strategy that adds machine learning corrections to computationally inexpensive approximate legacy quantum methods. After training, highly accurate predictions of enthalpies, free energies, entropies, and electron correlation energies are possible, for significantly larger molecular sets than used for training. For thermochemical properties of up to 16k isomers of C7H10O2 we present numerical evidence that chemical accuracy can be reached. We also predict electron correlation energy in post Hartree-Fock methods, at the computational cost of Hartree-Fock, and we establish a qualitative relationship between molecular entropy and electron correlation. The transferability of our approach is demonstrated, using semiempirical quantum chemistry and machine learning models trained on 1 and 10% of 134k organic molecules, to reproduce enthalpies of all remaining molecules at density functional theory level of accuracy.

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...

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.

Human Development VIII: A Theory of “Deep” Quantum Chemistry and Cell Consciousness: Quantum Chemistry Controls Genes and Biochemistry to Give Cells and Higher Organisms Consciousness and Complex Behavior

Directory of Open Access Journals (Sweden)

Søren Ventegodt

2006-01-01

Full Text Available Deep quantum chemistry is a theory of deeply structured quantum fields carrying the biological information of the cell, making it able to remember, intend, represent the inner and outer world for comparison, understand what it “sees”, and make choices on its structure, form, behavior and division. We suggest that deep quantum chemistry gives the cell consciousness and all the qualities and abilities related to consciousness. We use geometric symbolism, which is a pre-mathematical and philosophical approach to problems that cannot yet be handled mathematically. Using Occam’s razor we have started with the simplest model that works; we presume this to be a many-dimensional, spiral fractal. We suggest that all the electrons of the large biological molecules’ orbitals make one huge “cell-orbital”, which is structured according to the spiral fractal nature of quantum fields. Consciousness of single cells, multi cellular structures as e.g. organs, multi-cellular organisms and multi-individual colonies (like ants and human societies can thus be explained by deep quantum chemistry. When biochemical activity is strictly controlled by the quantum-mechanical super-orbital of the cell, this orbital can deliver energetic quanta as biological information, distributed through many fractal levels of the cell to guide form and behavior of an individual single or a multi-cellular organism. The top level of information is the consciousness of the cell or organism, which controls all the biochemical processes. By this speculative work inspired by Penrose and Hameroff we hope to inspire other researchers to formulate more strict and mathematically correct hypothesis on the complex and coherence nature of matter, life and consciousness.

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.

Alternative algebraic approaches in quantum chemistry

International Nuclear Information System (INIS)

Mezey, Paul G.

2015-01-01

Various algebraic approaches of quantum chemistry all follow a common principle: the fundamental properties and interrelations providing the most essential features of a quantum chemical representation of a molecule or a chemical process, such as a reaction, can always be described by algebraic methods. Whereas such algebraic methods often provide precise, even numerical answers, nevertheless their main role is to give a framework that can be elaborated and converted into computational methods by involving alternative mathematical techniques, subject to the constraints and directions provided by algebra. In general, algebra describes sets of interrelations, often phrased in terms of algebraic operations, without much concern with the actual entities exhibiting these interrelations. However, in many instances, the very realizations of two, seemingly unrelated algebraic structures by actual quantum chemical entities or properties play additional roles, and unexpected connections between different algebraic structures are often giving new insight. Here we shall be concerned with two alternative algebraic structures: the fundamental group of reaction mechanisms, based on the energy-dependent topology of potential energy surfaces, and the interrelations among point symmetry groups for various distorted nuclear arrangements of molecules. These two, distinct algebraic structures provide interesting interrelations, which can be exploited in actual studies of molecular conformational and reaction processes. Two relevant theorems will be discussed

Alternative algebraic approaches in quantum chemistry

Energy Technology Data Exchange (ETDEWEB)

Mezey, Paul G., E-mail: paul.mezey@gmail.com [Canada Research Chair in Scientific Modeling and Simulation, Department of Chemistry and Department of Physics and Physical Oceanography, Memorial University of Newfoundland, 283 Prince Philip Drive, St. John' s, NL A1B 3X7 (Canada)

2015-01-22

Various algebraic approaches of quantum chemistry all follow a common principle: the fundamental properties and interrelations providing the most essential features of a quantum chemical representation of a molecule or a chemical process, such as a reaction, can always be described by algebraic methods. Whereas such algebraic methods often provide precise, even numerical answers, nevertheless their main role is to give a framework that can be elaborated and converted into computational methods by involving alternative mathematical techniques, subject to the constraints and directions provided by algebra. In general, algebra describes sets of interrelations, often phrased in terms of algebraic operations, without much concern with the actual entities exhibiting these interrelations. However, in many instances, the very realizations of two, seemingly unrelated algebraic structures by actual quantum chemical entities or properties play additional roles, and unexpected connections between different algebraic structures are often giving new insight. Here we shall be concerned with two alternative algebraic structures: the fundamental group of reaction mechanisms, based on the energy-dependent topology of potential energy surfaces, and the interrelations among point symmetry groups for various distorted nuclear arrangements of molecules. These two, distinct algebraic structures provide interesting interrelations, which can be exploited in actual studies of molecular conformational and reaction processes. Two relevant theorems will be discussed.

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.

Relativistic quantum chemistry of the superheavy elements. Closed-shell element 114 as a case study

International Nuclear Information System (INIS)

Schwerdtfeger, Peter; Seth, Michael

2002-01-01

The chemistry of superheavy element 114 is reviewed. The ground state of element 114 is closed shell [112]7s 2 7p 1/2 2 and shows a distinct chemical inertness (low reactivity). This inertness makes it rather difficult to study the atom-at-a-time chemistry of 114 in the gas or liquid phase. (author)

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)

Learning Quantum Chemistry via a Visual-Conceptual Approach: Students' Bidirectional Textual and Visual Understanding

Science.gov (United States)

Dangur, Vered; Avargil, Shirly; Peskin, Uri; Dori, Yehudit Judy

2014-01-01

Most undergraduate chemistry courses and a few high school honors courses, which focus on physical chemistry and quantum mechanics, are highly mathematically-oriented. At the Technion, Israel Institute of Technology, we developed a new module for high school students, titled "Chemistry--From 'the Hole' to 'the Whole': From the Nanoscale to…

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.

Quantum Chemistry of Solids LCAO Treatment of Crystals and Nanostructures

CERN Document Server

Evarestov, Robert A

2012-01-01

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods  applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid –state physics and real-space quantum chemistry. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed. The second part deals with the applications of LCAO methods  for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization.  In the second edition two new chapters are added in the application part II of t...

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.

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...

Relativity and Electron Correlation in Chemistry

NARCIS (Netherlands)

Visscher, Lucas

1993-01-01

In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. We obtain relativistic zero order wave functions by the use of the Dirac-Fock method and improve these by relativistic Configuration Interaction. This opens the way for an accurate ab initio treatment

Spiers Memorial Lecture. Quantum chemistry: the first seventy years.

Science.gov (United States)

McWeeny, Roy

2007-01-01

Present-day theoretical chemistry is rooted in Quantum Mechanics. The aim of the opening lecture is to trace the evolution of Quantum Chemistry from the Heitler-London paper of 1927 up to the end of the last century, emphasizing concepts rather than calculations. The importance of symmetry concepts became evident in the early years: one thinks of the necessary anti-symmetry of the wave function under electron permutations, the Pauli principle, the aufbau scheme, and the classification of spectroscopic states. But for chemists perhaps the key concept is embodied in the Hellmann-Feynman theorem, which provides a pictorial interpretation of chemical bonding in terms of classical electrostatic forces exerted on the nuclei by the electron distribution. Much of the lecture is concerned with various electron distribution functions--the electron density, the current density, the spin density, and other 'property densities'--and with their use in interpreting both molecular structure and molecular properties. Other topics touched upon include Response theory and propagators; Chemical groups in molecules and the group function approach; Atoms in molecules and Bader's theory; Electron correlation and the 'pair function'. Finally, some long-standing controversies, in particular the EPR paradox, are re-examined in the context of molecular dissociation. By admitting the concept of symmetry breaking, along with the use of the von Neumann-Dirac statistical ensemble, orthodox quantum mechanics can lead to a convincing picture of the dissociation mechanism.

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

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)

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.

Quantum Chemistry of Solids The LCAO First Principles Treatment of Crystals

CERN Document Server

Evarestov, Robert A

2007-01-01

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based (Hartree-Fock), density-based (DFT) and hybrid hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid-state physics and real-space quantum chemistry methods in the framework of cyclic model of an infinite crystal. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. The discussion o...

Relativistic pseudopotential model for superheavy elements: applications to chemistry of eka-Hg and eka-Pb

Energy Technology Data Exchange (ETDEWEB)

Zaitsevskii, Andrei V [Institute of Hydrogen Energetics and Plasma Technologies, Russian Research Centre ' Kurchatov Institute' (Russian Federation); Wuellen, C van [Technische Universitaet Kaiserslautern (Germany); Titov, A V [B P Konstantinov Petersburg Nuclear Physics Institute, Russian Academy of Sciences (Russian Federation)

2009-12-31

Relativistic pseudopotential approach to the electronic structure simulation of superheavy elements (SHE) compounds is presented. Advanced formulations of this approach leaving both valence and outer-core electronic shells for explicit treatment give rise to simple and efficient computational techniques ensuring highly accurate description of most chemical properties of SHE. At present, the errors due to the use of approximate methods for solving the correlation problem for a subsystem of valence electrons are much larger than those stemming from the pseudopotential approximation itself. Recent applications to the studies of the chemistry of elements 112 (eka-Hg) and 114 (eka-Pb) are reviewed; properties of these elements and their lighter homologues, Hg and Pb, are compared.

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.

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.

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.

Using quantum chemistry muscle to flex massive systems: How to respond to something perturbing

Energy Technology Data Exchange (ETDEWEB)

Bertoni, Colleen [Iowa State Univ., Ames, IA (United States)

2016-12-17

Computational chemistry uses the theoretical advances of quantum mechanics and the algorithmic and hardware advances of computer science to give insight into chemical problems. It is currently possible to do highly accurate quantum chemistry calculations, but the most accurate methods are very computationally expensive. Thus it is only feasible to do highly accurate calculations on small molecules, since typically more computationally efficient methods are also less accurate. The overall goal of my dissertation work has been to try to decrease the computational expense of calculations without decreasing the accuracy. In particular, my dissertation work focuses on fragmentation methods, intermolecular interactions methods, analytic gradients, and taking advantage of new hardware.

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

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.

Protactinium and the intersection of actinide and transition metal chemistry

Energy Technology Data Exchange (ETDEWEB)

Wilson, Richard E.; De Sio, Stephanie; Vallet, Valérie

2018-02-12

The role of the 5f and 6d orbitals in the chemistry of the actinide elements has been of considerable interest since their discovery and synthesis. Relativistic effects cause the energetics of the 5f and 6d orbitals to change as the actinide series is traversed left to right imparting a rich and complex chemistry. The 5f and 6d atomic states cross in energy at protactinium (Pa), making it a potential intersection between transition metal and actinide chemistries. Herein, we report the synthesis of a Pa-peroxo cluster, A(6)(Pa4O(O-2)(6)F-12) [A = Rb, Cs, (CH3)(4)N], formed in pursuit of an actinide polyoxometalate. Quantum chemical calculations at the density functional theory level demonstrate equal 5f and 6d orbital participation in the chemistry of Pa and increasing 5f orbital participation for the heavier actinides. Periodic changes in orbital character to the bonding in the early actinides highlights the influence of the 5f orbitals in their reactivity and chemical structure.

Quantum Nanobiology and Biophysical Chemistry

DEFF Research Database (Denmark)

2013-01-01

An introduction was provided in the first issue by way of an Editorial to this special two issue volume of Current Physical Chemistry – “Quantum Nanobiology and Biophysical Chemistry” [1]. The Guest Editors would like to thank all the authors and referees who have contributed to this second issue....... Wu et al. use density functional theory to explore the use of Ni/Fe bimetallic nanotechnology in the bioremediation of decabromo-diphenyl esters. Araújo-Chaves et al. explore the binding and reactivity of Mn(III) porphyrins in the membrane mimetic setting of model liposomal systems. Claussen et al....... demonstrate extremely low detection performance of acyl-homoserine lactone in a biologically relevant system using surface enhanced Raman spectroscopy. Sugihara and Bondar evaluate the influence of methyl-groups and the protein environment on retinal geometries in rhodopsin and bacteriorhodopsin, two...

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.

Determination of Quantum Chemistry Based Force Fields for Molecular Dynamics Simulations of Aromatic Polymers

Science.gov (United States)

Jaffe, Richard; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

Ab initio quantum chemistry calculations for model molecules can be used to parameterize force fields for molecular dynamics simulations of polymers. Emphasis in our research group is on using quantum chemistry-based force fields for molecular dynamics simulations of organic polymers in the melt and glassy states, but the methodology is applicable to simulations of small molecules, multicomponent systems and solutions. Special attention is paid to deriving reliable descriptions of the non-bonded and electrostatic interactions. Several procedures have been developed for deriving and calibrating these parameters. Our force fields for aromatic polyimide simulations will be described. In this application, the intermolecular interactions are the critical factor in determining many properties of the polymer (including its color).

Elementary quantum chemistry

CERN Document Server

Pilar, Frank L

2003-01-01

Useful introductory course and reference covers origins of quantum theory, Schrödinger wave equation, quantum mechanics of simple systems, electron spin, quantum states of atoms, Hartree-Fock self-consistent field method, more. 1990 edition.

Laboratory study of nitrate photolysis in Antarctic snow. I. Observed quantum yield, domain of photolysis, and secondary chemistry

DEFF Research Database (Denmark)

Meusinger, Carl; Berhanu, Tesfaye A.; Erbland, Joseph

2014-01-01

undergoing secondary (recombination) chemistry. Modeled NOx emissions may increase significantly above measured values due to the observed quantum yield in this study. The apparent quantum yield in the 200 nm band was found to be ∼ 1%, much lower than reported for aqueous chemistry. A companion paper...... are understood. It has been shown that photolysis of nitrate in the snowpack plays a major role in nitrate loss and that the photolysis products have a significant influence on the local troposphere as well as on other species in the snow. Reported quantum yields for the main reaction spans orders of magnitude...

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.

Development of massively parallel quantum chemistry program SMASH

International Nuclear Information System (INIS)

Ishimura, Kazuya

2015-01-01

A massively parallel program for quantum chemistry calculations SMASH was released under the Apache License 2.0 in September 2014. The SMASH program is written in the Fortran90/95 language with MPI and OpenMP standards for parallelization. Frequently used routines, such as one- and two-electron integral calculations, are modularized to make program developments simple. The speed-up of the B3LYP energy calculation for (C 150 H 30 ) 2 with the cc-pVDZ basis set (4500 basis functions) was 50,499 on 98,304 cores of the K computer

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

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

Adaptation of quantum chemistry software for the electronic structure calculations on GPU for solid-state systems

International Nuclear Information System (INIS)

Gusakov, V.E.; Bel'ko, V.I.; Dorozhkin, N.N.

2015-01-01

We report on adaptation of quantum chemistry software - Quantum Espresso and LASTO - for the electronic structure calculations for the complex solid-state systems on the GeForce series GPUs using the nVIDIA CUDA technology. Specifically, protective covering based on transition metal nitrides are considered. (authors)

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.

Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry.

Science.gov (United States)

Arshad, Junaid; Hoffmann, Alexander; Gesing, Sandra; Grunzke, Richard; Krüger, Jens; Kiss, Tamas; Herres-Pawlis, Sonja; Terstyanszky, Gabor

2016-01-01

In Quantum Chemistry, many tasks are reoccurring frequently, e.g. geometry optimizations, benchmarking series etc. Here, workflows can help to reduce the time of manual job definition and output extraction. These workflows are executed on computing infrastructures and may require large computing and data resources. Scientific workflows hide these infrastructures and the resources needed to run them. It requires significant efforts and specific expertise to design, implement and test these workflows. Many of these workflows are complex and monolithic entities that can be used for particular scientific experiments. Hence, their modification is not straightforward and it makes almost impossible to share them. To address these issues we propose developing atomic workflows and embedding them in meta-workflows. Atomic workflows deliver a well-defined research domain specific function. Publishing workflows in repositories enables workflow sharing inside and/or among scientific communities. We formally specify atomic and meta-workflows in order to define data structures to be used in repositories for uploading and sharing them. Additionally, we present a formal description focused at orchestration of atomic workflows into meta-workflows. We investigated the operations that represent basic functionalities in Quantum Chemistry, developed the relevant atomic workflows and combined them into meta-workflows. Having these workflows we defined the structure of the Quantum Chemistry workflow library and uploaded these workflows in the SHIWA Workflow Repository.Graphical AbstractMeta-workflows and embedded workflows in the template representation.

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)

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.)

An open library of relativistic core electron density function for the QTAIM analysis with pseudopotentials.

Science.gov (United States)

Zou, Wenli; Cai, Ziyu; Wang, Jiankang; Xin, Kunyu

2018-04-29

Based on two-component relativistic atomic calculations, a free electron density function (EDF) library has been developed for nearly all the known ECPs of the elements Li (Z = 3) up to Ubn (Z = 120), which can be interfaced into modern quantum chemistry programs to save the .wfx wavefunction file. The applicability of this EDF library is demonstrated by the analyses of the quantum theory of atoms in molecules (QTAIM) and other real space functions on HeCuF, PtO42+, OgF 4 , and TlCl 3 (DMSO) 2 . When a large-core ECP is used, it shows that the corrections by EDF may significantly improve the properties of some density-derived real space functions, but they are invalid for the wavefunction-depending real space functions. To classify different chemical bonds and especially some nonclassical interactions, a list of universal criteria has also been proposed. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Development of massively parallel quantum chemistry program SMASH

Energy Technology Data Exchange (ETDEWEB)

Ishimura, Kazuya [Department of Theoretical and Computational Molecular Science, Institute for Molecular Science 38 Nishigo-Naka, Myodaiji, Okazaki, Aichi 444-8585 (Japan)

2015-12-31

A massively parallel program for quantum chemistry calculations SMASH was released under the Apache License 2.0 in September 2014. The SMASH program is written in the Fortran90/95 language with MPI and OpenMP standards for parallelization. Frequently used routines, such as one- and two-electron integral calculations, are modularized to make program developments simple. The speed-up of the B3LYP energy calculation for (C{sub 150}H{sub 30}){sub 2} with the cc-pVDZ basis set (4500 basis functions) was 50,499 on 98,304 cores of the K computer.

Quantum confinement and surface chemistry of 0.8–1.6 nm hydrosilylated silicon nanocrystals

International Nuclear Information System (INIS)

Pi Xiao-Dong; Wang Rong; Yang De-Ren

2014-01-01

In the framework of density functional theory (DFT), we have studied the electronic properties of alkene/alkyne-hydrosilylated silicon nanocrystals (Si NCs) in the size range from 0.8 nm to 1.6 nm. Among the alkenes with all kinds of functional groups considered in this work, only those containing —NH 2 and —C 4 H 3 S lead to significant hydrosilylation-induced changes in the gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of an Si NC at the ground state. The quantum confinement effect is dominant for all of the alkene-hydrosilylated Si NCs at the ground state. At the excited state, the prevailing effect of surface chemistry only occurs at the smallest (0.8 nm) Si NCs hydrosilylated with alkenes containing —NH 2 and —C 4 H 3 S. Although the alkyne hydrosilylation gives rise to a more significant surface chemistry effect than alkene hydrosilylation, the quantum confinement effect remains dominant for alkyne-hydrosilylated Si NCs at the ground state. However, at the excited state, the effect of surface chemistry induced by the hydrosilylation with conjugated alkynes is strong enough to prevail over that of quantum confinement. (condensed matter: structural, mechanical, and thermal properties)

The use of quantum chemistry in pharmaceutical research as illustrated by case studies of indometacin and carbamazepine

DEFF Research Database (Denmark)

Gordon, Keith C; McGoverin, Cushla M; Strachan, Clare J

2007-01-01

A number of case studies that illustrate how quantum chemistry may be used in studying pharmaceutical systems are reviewed. A brief introduction to quantum methods is provided and the use of these methods in understanding the structure and properties of indometacin and carbamazepine is discussed...

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

Quantum Monte Carlo tunneling from quantum chemistry to quantum annealing

Science.gov (United States)

Mazzola, Guglielmo; Smelyanskiy, Vadim N.; Troyer, Matthias

2017-10-01

Quantum tunneling is ubiquitous across different fields, from quantum chemical reactions and magnetic materials to quantum simulators and quantum computers. While simulating the real-time quantum dynamics of tunneling is infeasible for high-dimensional systems, quantum tunneling also shows up in quantum Monte Carlo (QMC) simulations, which aim to simulate quantum statistics with resources growing only polynomially with the system size. Here we extend the recent results obtained for quantum spin models [Phys. Rev. Lett. 117, 180402 (2016), 10.1103/PhysRevLett.117.180402], and we study continuous-variable models for proton transfer reactions. We demonstrate that QMC simulations efficiently recover the scaling of ground-state tunneling rates due to the existence of an instanton path, which always connects the reactant state with the product. We discuss the implications of our results in the context of quantum chemical reactions and quantum annealing, where quantum tunneling is expected to be a valuable resource for solving combinatorial optimization problems.

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.

Quantum chemistry-assisted synthesis route development

International Nuclear Information System (INIS)

Hori, Kenji; Sumimoto, Michinori; Murafuji, Toshihiro

2015-01-01

We have been investigating “quantum chemistry-assisted synthesis route development” using in silico screenings and applied the method to several targets. Another example was conducted to develop synthesis routes for a urea derivative, namely 1-(4-(trifluoromethyl)-2-oxo-2H-chromen-7-yl)urea. While five synthesis routes were examined, only three routes passed the second in silico screening. Among them, the reaction of 7-amino-4-(trifluoromethyl)-2H-chromen-2-one and O-methyl carbamate with BF 3 as an additive was ranked as the first choice for synthetic work. We were able to experimentally obtain the target compound even though its yield was as low as 21 %. The theoretical result was thus consistent with that observed. The summary of transition state data base (TSDB) is also provided. TSDB is the key to reducing time of in silico screenings

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.

Photodissociation of quantum state-selected diatomic molecules yields new insight into ultracold chemistry

Science.gov (United States)

McDonald, Mickey; McGuyer, Bart H.; Lee, Chih-Hsi; Apfelbeck, Florian; Zelevinsky, Tanya

2016-05-01

When a molecule is subjected to a sufficiently energetic photon it can break apart into fragments through a process called ``photodissociation''. For over 70 years this simple chemical reaction has served as a vital experimental tool for acquiring information about molecular structure, since the character of the photodissociative transition can be inferred by measuring the 3D photofragment angular distribution (PAD). While theoretical understanding of this process has gradually evolved from classical considerations to a fully quantum approach, experiments to date have not yet revealed the full quantum nature of this process. In my talk I will describe recent experiments involving the photodissociation of ultracold, optical lattice-trapped, and fully quantum state-resolved 88Sr2 molecules. Optical absorption images of the PADs produced in these experiments reveal features which are inherently quantum mechanical in nature, such as matter-wave interference between output channels, and are sensitive to the quantum statistics of the molecular wavefunctions. The results of these experiments cannot be predicted using quasiclassical methods. Instead, we describe our results with a fully quantum mechanical model yielding new intuition about ultracold chemistry.

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.

The unitary-group formulation of quantum chemistry

International Nuclear Information System (INIS)

Campbell, L.L.

1990-01-01

The major part of this dissertation establishes group theoretical techniques that are applicable to the quantum-mechanical many-body atomic and molecular problems. Several matrix element evaluation methods for many-body states are developed. The generator commutation method using generator states is presented for the first time as a complete algorithm, and a computer implementation of the method is developed. A major result of this work is the development of a new method of calculation called the freeon tensor product (FTP) method. This method is much simpler and for many purposes superior to the GUGA procedure (graphical unitary group approach), widely used in configuration interaction calculations. This dissertation is also concerned with the prediction of atomic spectra. In principle spectra can be computed by the methods of ab initio quantum chemistry. In practice these computations are difficult, expensive, time consuming, and not uniformly successful. In this dissertation, the author employs a semi-empirical group theoretical analysis of discrete spectra is the exact analog of the Fourier analysis of continuous functions. In particular, he focuses on the spectra of atoms with incomplete p, d, and f shells. The formulas and techniques are derived in a fashion that apply equally well for more complex systems, as well as the isofreeon model of spherical nuclei

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.

Students' Levels of Explanations, Models, and Misconceptions in Basic Quantum Chemistry: A Phenomenographic Study

Science.gov (United States)

Stefani, Christina; Tsaparlis, Georgios

2009-01-01

We investigated students' knowledge constructions of basic quantum chemistry concepts, namely atomic orbitals, the Schrodinger equation, molecular orbitals, hybridization, and chemical bonding. Ausubel's theory of meaningful learning provided the theoretical framework and phenomenography the method of analysis. The semi-structured interview with…

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

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

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

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.)

Ab initio quantum chemistry for combustion

International Nuclear Information System (INIS)

Page, M.; Lengsfield, B.H.

1991-01-01

Advances in theoretical and computational methods, coupled with the rapid development of powerful and inexpensive computers, fuel the current rapid development in computational quantum chemistry (QC). Nowhere is this more evident than in the areas of QC most relevant to combustion: the description of bond breaking and rate phenomena. although the development of faster computers with larger memories has had a major impact on the scope of problems that can be addressed with QC, the development of new theoretical techniques and capabilities is responsible for adding new dimensions in QC and has paved the way for the unification of QC electronic structure calculations with statistical and dynamical models of chemical reactions. These advances will be stressed in this chapter. This paper describes past accomplishments selectively to set the stage for discussion of ideas or techniques that we believe will have significant impact on combustion research. Thus, the focus of the chapter is as much on the future as it is on the past

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 ...

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

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)

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)

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 ...

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,

The molecular electron density distribution meeting place of X-ray diffraction and quantum chemistry intermediate - between theory and experiment

NARCIS (Netherlands)

Feil, D.; Feil, Dirk

1992-01-01

Quantum chemistry and the concepts used daily in chemistry are increasingly growing apart. Among the concepts that are able to bridge the gap between theory and experimental practice, electron density distribution has an important place. The study of this distribution has led to new developments in

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

Science.gov (United States)

Turi, László

2016-04-01

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

Energy Technology Data Exchange (ETDEWEB)

Turi, László, E-mail: turi@chem.elte.hu [Department of Physical Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112 (Hungary)

2016-04-21

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

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 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.

Simulating chemistry using quantum computers.

Science.gov (United States)

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

2011-01-01

The difficulty of simulating quantum systems, well known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors.

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.

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,

Expression of results in quantum chemistry physical chemistry division commission on physicochemical symbols, terminology and units

CERN Document Server

Whiffen, D H

2013-01-01

Expression of Results in Quantum Chemistry recommends the appropriate insertion of physical constants in the output information of a theoretical paper in order to make the numerical end results of theoretical work easily transformed to SI units by the reader. The acceptance of this recommendation would circumvent the need for a set of atomic units each with its own symbol and name. It is the traditional use of the phrase """"atomic units"""" in this area which has obscured the real problem. The four SI dimensions of length, mass, time, and current require four physical constants to be permitte

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.

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

Towards quantum chemistry on a quantum computer.

Science.gov (United States)

Lanyon, B P; Whitfield, J D; Gillett, G G; Goggin, M E; Almeida, M P; Kassal, I; Biamonte, J D; Mohseni, M; Powell, B J; Barbieri, M; Aspuru-Guzik, A; White, A G

2010-02-01

Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing by building a quantum computer, which is a device that uses quantum systems themselves to store and process data. Here we report the application of the latest photonic quantum computer technology to calculate properties of the smallest molecular system: the hydrogen molecule in a minimal basis. We calculate the complete energy spectrum to 20 bits of precision and discuss how the technique can be expanded to solve large-scale chemical problems that lie beyond the reach of modern supercomputers. These results represent an early practical step toward a powerful tool with a broad range of quantum-chemical applications.

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

Quantum Chemistry, and Eclectic Mix: From Silicon Carbide to Size Consistency

Energy Technology Data Exchange (ETDEWEB)

Rintelman, Jamie Marie [Iowa State Univ., Ames, IA (United States)

2004-12-19

Chemistry is a field of great breadth and variety. It is this diversity that makes for both an interesting and challenging field. My interests have spanned three major areas of theoretical chemistry: applications, method development, and method evaluation. The topics presented in this thesis are as follows: (1) a multi-reference study of the geometries and relative energies of four atom silicon carbide clusters in the gas phase; (2) the reaction of acetylene on the Si(100)-(2x1) surface; (3) an improvement to the Effective Fragment Potential (EFP) solvent model to enable the study of reactions in both aqueous and nonaqueous solution; and (4) an evaluation of the size consistency of Multireference Perturbation Theory (MRPT). In the following section, the author briefly discusses two topics central to, and present throughout, this thesis: Multi-reference methods and Quantum Mechanics/Molecular Mechanics (QM/MM) methods.

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

Aqueous chemistry of transactinides

International Nuclear Information System (INIS)

Schaedel, M.

2001-01-01

The aqueous chemistry of the first three transactinide elements is briefly reviewed with special emphasis given to recent experimental results. Short introductory remarks are discussing the atom-at-a-time situation of transactinide chemistry as a result of low production cross-sections and short half-lives. In general, on-line experimental techniques and, more specifically, the automated rapid chemistry apparatus, ARCA, are presented. Present and future developments of experimental techniques and resulting perspectives are outlined at the end. The central part is mainly focussing on hydrolysis and complex formation aspects of the superheavy group 4, 5, and 6 transition metals with F - and Cl - anions. Experimental results are compared with the behaviour of lighter homologous elements and with relativistic calculations. It will be shown that the chemical behaviour of the first superheavy elements is already strongly influenced by relativistic effects. While it is justified to place rutherfordium, dubnium and seaborgium in the Periodic Table of the Elements into group 4, 5 and 6, respectively, it is no more possible to deduce from this position in detail the chemical properties of these transactinide or superheavy elements. (orig.)

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

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...

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.

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.

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)

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

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.)

Elementary and brief introduction of hadronic chemistry

Science.gov (United States)

Tangde, Vijay M.

2013-10-01

The discipline, today known as Quantum Chemistry for atomic and subatomic level interactions has no doubt made a significant historical contributions to the society. Despite of its significant achievements, quantum chemistry is also known for its widespread denial of insufficiencies it inherits. An Italian-American Scientist Professor Ruggero Maria Santilli during his more than five decades of dedicated and sustained research has denounced the fact that quantum chemistry is mostly based on mere nomenclatures without any quantitative scientific contents. Professor R M Santilli first formulated the iso-, geno- and hyper-mathematics [1-4] that helped in understanding numerous diversified problems and removing inadequacies in most of the established and celebrated theories of 20th century physics and chemistry. This involves the isotopic, genotopic, etc. lifting of Lie algebra that generated Lie admissible mathematics to properly describe irreversible processes. The studies on Hadronic Mechanics in general and chemistry in particular based on Santilli's mathematics[3-5] for the first time has removed the very fundamental limitations of quantum chemistry [2, 6-8]. In the present discussion, we have briefly reviewed the conceptual foundations of Hadronic Chemistry that imparts the completeness to the Quantum Chemistry via an addition of effects at distances of the order of 1 fm (only) which are assumed to be Non-linear, Non-local, Non-potential, Non-hamiltonian and thus Non-unitary and its application in development of a new chemical species called Magnecules.

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.

Parallel algorithms for quantum chemistry. I. Integral transformations on a hypercube multiprocessor

International Nuclear Information System (INIS)

Whiteside, R.A.; Binkley, J.S.; Colvin, M.E.; Schaefer, H.F. III

1987-01-01

For many years it has been recognized that fundamental physical constraints such as the speed of light will limit the ultimate speed of single processor computers to less than about three billion floating point operations per second (3 GFLOPS). This limitation is becoming increasingly restrictive as commercially available machines are now within an order of magnitude of this asymptotic limit. A natural way to avoid this limit is to harness together many processors to work on a single computational problem. In principle, these parallel processing computers have speeds limited only by the number of processors one chooses to acquire. The usefulness of potentially unlimited processing speed to a computationally intensive field such as quantum chemistry is obvious. If these methods are to be applied to significantly larger chemical systems, parallel schemes will have to be employed. For this reason we have developed distributed-memory algorithms for a number of standard quantum chemical methods. We are currently implementing these on a 32 processor Intel hypercube. In this paper we present our algorithm and benchmark results for one of the bottleneck steps in quantum chemical calculations: the four index integral transformation

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)

Proceedings of the meeting on tunneling reaction and low temperature chemistry, 97 October. Tunneling reaction and quantum medium

Energy Technology Data Exchange (ETDEWEB)

Miyazaki, Tetsuo; Aratono, Yasuyuki; Ichikawa, Tsuneki; Shiotani, Masaru [eds.

1998-02-01

Present report is the proceedings of the 3rd Meeting on Tunneling Reaction and Low Temperature Chemistry held in Oct. 13 and 14, 1997. The main subject of the meeting is `Tunneling Reaction and Quantum Medium`. In the meeting, the physical and chemical phenomena in the liquid helium such as quantum nucleation, spectroscopy of atoms and molecules, and tunneling abstraction reaction of tritium atom were discussed as the main topics as well as the tunneling reactions in the solid hydrogen and organic compounds. Through the meetings held in 1995, 1996, and 1997, the tunneling phenomena proceeding at various temperatures (room temperature to mK) in the wide fields of chemistry, biology, and physics were discussed intensively and the importance of the tunneling phenomena in the science has been getting clear. The 12 of the presented papers are indexed individually. (J.P.N.)

Proceedings of the meeting on tunneling reaction and low temperature chemistry, 97 October. Tunneling reaction and quantum medium

International Nuclear Information System (INIS)

Miyazaki, Tetsuo; Aratono, Yasuyuki; Ichikawa, Tsuneki; Shiotani, Masaru

1998-02-01

Present report is the proceedings of the 3rd Meeting on Tunneling Reaction and Low Temperature Chemistry held in Oct. 13 and 14, 1997. The main subject of the meeting is 'Tunneling Reaction and Quantum Medium'. In the meeting, the physical and chemical phenomena in the liquid helium such as quantum nucleation, spectroscopy of atoms and molecules, and tunneling abstraction reaction of tritium atom were discussed as the main topics as well as the tunneling reactions in the solid hydrogen and organic compounds. Through the meetings held in 1995, 1996, and 1997, the tunneling phenomena proceeding at various temperatures (room temperature to mK) in the wide fields of chemistry, biology, and physics were discussed intensively and the importance of the tunneling phenomena in the science has been getting clear. The 12 of the presented papers are indexed individually. (J.P.N.)

Advances in computational actinide chemistry in China

Energy Technology Data Exchange (ETDEWEB)

Wang, Dongqi; Wu, Jingyi; Chai, Zhifang [Chinese Academy of Sciences, Beijing (China). Multidisciplinary Initiative Center; Su, Jing [Chinese Academy of Sciences, Shanghai (China). Div. of Nuclear Materials Science and Engineering; Li, Jun [Tsinghua Univ., Beijing (China). Dept. of Chemistry and Laboratory of Organic Optoelectronics and Molecular Engineering

2014-04-01

The advances in computational actinide chemistry made in China are reviewed. Several areas relevant to chemistry of actinides in gas, liquid, and solid phases have been explored. However, we limit the scope to selected contributions in the chemistry of molecular actinide systems in gas and liquid phases. These studies may be classified into two categories: treatment of relativistic effects, which cover the development of two- and four-component Hamiltonians and the optimization of relativistic pseudopotentials, and the applications of theoretical methods in actinide chemistry. The applications include (1) the electronic structures of actinocene, noble gas complexes, An-C multiple bonding compounds, uranyl and its isoelectronic species, fluorides and oxides, molecular systems with metal-metal bonding in their isolated forms (U{sub 2}, Pu{sub 2}) and in fullerene (U{sub 2} rate at C{sub 60}), and the excited states of actinide complexes; (2) chemical reactions, including oxidation, hydrolysis of UF{sub 6}, ligand exchange, reactivities of thorium oxo and sulfido metallocenes, CO{sub 2}/CS{sub 2} functionalization promoted by trivalent uranium complex; and (3) migration of actinides in the environment. A future outlook is discussed. (orig.)

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

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

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.

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

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.

Analysis of temporal evolution of quantum dot surface chemistry by surface-enhanced Raman scattering.

Science.gov (United States)

Doğan, İlker; Gresback, Ryan; Nozaki, Tomohiro; van de Sanden, Mauritius C M

2016-07-08

Temporal evolution of surface chemistry during oxidation of silicon quantum dot (Si-QD) surfaces were probed using surface-enhanced Raman scattering (SERS). A monolayer of hydrogen and chlorine terminated plasma-synthesized Si-QDs were spin-coated on silver oxide thin films. A clearly enhanced signal of surface modes, including Si-Clx and Si-Hx modes were observed from as-synthesized Si-QDs as a result of the plasmonic enhancement of the Raman signal at Si-QD/silver oxide interface. Upon oxidation, a gradual decrease of Si-Clx and Si-Hx modes, and an emergence of Si-Ox and Si-O-Hx modes have been observed. In addition, first, second and third transverse optical modes of Si-QDs were also observed in the SERS spectra, revealing information on the crystalline morphology of Si-QDs. An absence of any of the abovementioned spectral features, but only the first transverse optical mode of Si-QDs from thick Si-QD films validated that the spectral features observed from Si-QDs on silver oxide thin films are originated from the SERS effect. These results indicate that real-time SERS is a powerful diagnostic tool and a novel approach to probe the dynamic surface/interface chemistry of quantum dots, especially when they involve in oxidative, catalytic, and electrochemical surface/interface reactions.

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

The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age.

Science.gov (United States)

Adams, Sam; de Castro, Pablo; Echenique, Pablo; Estrada, Jorge; Hanwell, Marcus D; Murray-Rust, Peter; Sherwood, Paul; Thomas, Jens; Townsend, Joe

2011-10-14

Computational Quantum Chemistry has developed into a powerful, efficient, reliable and increasingly routine tool for exploring the structure and properties of small to medium sized molecules. Many thousands of calculations are performed every day, some offering results which approach experimental accuracy. However, in contrast to other disciplines, such as crystallography, or bioinformatics, where standard formats and well-known, unified databases exist, this QC data is generally destined to remain locally held in files which are not designed to be machine-readable. Only a very small subset of these results will become accessible to the wider community through publication.In this paper we describe how the Quixote Project is developing the infrastructure required to convert output from a number of different molecular quantum chemistry packages to a common semantically rich, machine-readable format and to build respositories of QC results. Such an infrastructure offers benefits at many levels. The standardised representation of the results will facilitate software interoperability, for example making it easier for analysis tools to take data from different QC packages, and will also help with archival and deposition of results. The repository infrastructure, which is lightweight and built using Open software components, can be implemented at individual researcher, project, organisation or community level, offering the exciting possibility that in future many of these QC results can be made publically available, to be searched and interpreted just as crystallography and bioinformatics results are today.Although we believe that quantum chemists will appreciate the contribution the Quixote infrastructure can make to the organisation and and exchange of their results, we anticipate that greater rewards will come from enabling their results to be consumed by a wider community. As the respositories grow they will become a valuable source of chemical data for use by other

The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age

Directory of Open Access Journals (Sweden)

Adams Sam

2011-10-01

Full Text Available Abstract Computational Quantum Chemistry has developed into a powerful, efficient, reliable and increasingly routine tool for exploring the structure and properties of small to medium sized molecules. Many thousands of calculations are performed every day, some offering results which approach experimental accuracy. However, in contrast to other disciplines, such as crystallography, or bioinformatics, where standard formats and well-known, unified databases exist, this QC data is generally destined to remain locally held in files which are not designed to be machine-readable. Only a very small subset of these results will become accessible to the wider community through publication. In this paper we describe how the Quixote Project is developing the infrastructure required to convert output from a number of different molecular quantum chemistry packages to a common semantically rich, machine-readable format and to build respositories of QC results. Such an infrastructure offers benefits at many levels. The standardised representation of the results will facilitate software interoperability, for example making it easier for analysis tools to take data from different QC packages, and will also help with archival and deposition of results. The repository infrastructure, which is lightweight and built using Open software components, can be implemented at individual researcher, project, organisation or community level, offering the exciting possibility that in future many of these QC results can be made publically available, to be searched and interpreted just as crystallography and bioinformatics results are today. Although we believe that quantum chemists will appreciate the contribution the Quixote infrastructure can make to the organisation and and exchange of their results, we anticipate that greater rewards will come from enabling their results to be consumed by a wider community. As the respositories grow they will become a valuable source of

Integrating Computational Chemistry into a Course in Classical Thermodynamics

Science.gov (United States)

Martini, Sheridan R.; Hartzell, Cynthia J.

2015-01-01

Computational chemistry is commonly addressed in the quantum mechanics course of undergraduate physical chemistry curricula. Since quantum mechanics traditionally follows the thermodynamics course, there is a lack of curricula relating computational chemistry to thermodynamics. A method integrating molecular modeling software into a semester long…

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.

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.

Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides.

Science.gov (United States)

Dognon, Jean-Pierre; Pyykkö, Pekka

2017-08-14

A Periodic System was proposed for the elements 1-172 by Pyykkö on the basis of atomic and ionic calculations. In it, the elements 121-138 were nominally assigned to a 5g row. We now perform molecular, relativistic four-component DFT calculations and find that the hexafluorides of the elements 125-129 indeed enjoy occupied 5g states. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemistry of the 5g elements. Relativistic calculations on hexafluorides

International Nuclear Information System (INIS)

Dognon, Jean-Pierre; Pyykkoe, Pekka

2017-01-01

A Periodic System was proposed for the elements 1-172 by Pyykkoe on the basis of atomic and ionic calculations. In it, the elements 121-138 were nominally assigned to a 5g row. We now perform molecular, relativistic four-component DFT calculations and find that the hexafluorides of the elements 125-129 indeed enjoy occupied 5g states. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Chemistry of the 5g elements. Relativistic calculations on hexafluorides

Energy Technology Data Exchange (ETDEWEB)

Dognon, Jean-Pierre [NIMBE, CEA, CNRS, Universite Paris-Saclay, CEA Saclay, Gif-sur-Yvette (France); Pyykkoe, Pekka [Department of Chemistry, University of Helsinki (Finland)

2017-08-14

A Periodic System was proposed for the elements 1-172 by Pyykkoe on the basis of atomic and ionic calculations. In it, the elements 121-138 were nominally assigned to a 5g row. We now perform molecular, relativistic four-component DFT calculations and find that the hexafluorides of the elements 125-129 indeed enjoy occupied 5g states. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

Future in actinoids coordination chemistry

International Nuclear Information System (INIS)

Kitazawa, Takafumi

2006-01-01

Actinoids coordination chemistry is concerned with spent nuclear fuel reprocessing, specifically with solid-state chemistry of nuclear fuels, separation process with radioactive substances, and geological disposal of high-level radioactive substances. In the 21st century, accumulation of minor actinides, Np, Am, Cm, and others will be realized according with the present program of nuclear energy development. The present article briefly introduces general properties of actinide elements, followed by their coordination chemistry compared with rare earths coordination chemistry. Special facility needed to treat actinoids as well as their chemistry is briefly explained, together with the specific experimental apparatus such as X-ray Absorption Fine Structure (XAFS) and time-resolved laser-induced fluorescence spectrometry (TRLFS) with synchrotron radiation facilities. The effect of coordination with actinoids in the environment chemistry is important in underground disposal of high-level radioactive wastes. For theoretical analysis of the results with actinoids chemistry, relativistic calculation is needed. (S. Ohno)

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

Spins in chemistry

CERN Document Server

McWeeny, Roy

2004-01-01

Originally delivered as a series of lectures, this volume systematically traces the evolution of the ""spin"" concept from its role in quantum mechanics to its assimilation into the field of chemistry. Author Roy McWeeny presents an in-depth illustration of the deductive methods of quantum theory and their application to spins in chemistry, following the path from the earliest concepts to the sophisticated physical methods employed in the investigation of molecular structure and properties. Starting with the origin and development of the spin concept, the text advances to an examination of sp

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.)

The quantum gamble

CERN Document Server

Boeyens, Jan C A

2016-01-01

This volume, written by a highly cited author, presents the history of quantum theory together with open questions and remaining problems in terms of the plausibility of quantum chemistry and physics. It also provides insights into the theory of matter-wave mechanics. The content is aimed at students and lecturers in chemistry, physics and the philosophy of science.

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

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.

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.

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

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.

A relativistic density functional study of uranyl hydrolysis and complexation by carboxylic acids in aqueous solution

International Nuclear Information System (INIS)

Ray, Rupashree Shyama

2009-01-01

In this work, the complexation of uranium in its most stable oxidation state VI in aqueous solution was studied computationally, within the framework of density functional (DF) theory. The thesis is divided into the following parts: Chapter 2 briefly summarizes the relevant general aspects of actinide chemistry and then focuses on actinide environmental chemistry. Experimental results on hydrolysis, actinide complexation by carboxylic acids, and humic substances are presented to establish a background for the subsequent discussion. Chapter 3 describes the computational method used in this work and the relevant features of the parallel quantum chemistry code PARAGAUSS employed. First, the most relevant basics of the applied density functional approach are presented focusing on relativistic effects. Then, the treatment of solvent effects, essential for an adequate modeling of actinide species in aqueous solution, will be introduced. At the end of this chapter, computational parameters and procedures will be summarized. Chapter 4 presents the computational results including a comparison to available experimental data. In the beginning, the mononuclear hydrolysis product of UO_2"2"+, [UO_2OH]"+, will be discussed. The second part deals with actinide complexation by carboxylate ligands. First of all the coordination number for uranylacetate will be discussed with respect to implications for the complexation of actinides by humic substances followed by the uranyl complexation of aromatic carboxylic acids in comparison to earlier results for aliphatic ones. In the end, the ternary uranyl-hydroxo-acetate are discussed, as models of uranyl humate complexation at ambient condition.

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 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)

The surface chemistry determines the spatio-temporal interaction dynamics of quantum dots in atherosclerotic lesions.

Science.gov (United States)

Uhl, Bernd; Hirn, Stephanie; Mildner, Karina; Coletti, Raffaele; Massberg, Steffen; Reichel, Christoph A; Rehberg, Markus; Zeuschner, Dagmar; Krombach, Fritz

2018-03-01

To optimize the design of nanoparticles for diagnosis or therapy of vascular diseases, it is mandatory to characterize the determinants of nano-bio interactions in vascular lesions. Using ex vivo and in vivo microscopy, we analyzed the interactive behavior of quantum dots with different surface functionalizations in atherosclerotic lesions of ApoE-deficient mice. We demonstrate that quantum dots with different surface functionalizations exhibit specific interactive behaviors with distinct molecular and cellular components of the injured vessel wall. Moreover, we show a role for fibrinogen in the regulation of the spatio-temporal interaction dynamics in atherosclerotic lesions. Our findings emphasize the relevance of surface chemistry-driven nano-bio interactions on the differential in vivo behavior of nanoparticles in diseased tissue.

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

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

A gist of comprehensive review of hadronic chemistry and its applications

Energy Technology Data Exchange (ETDEWEB)

Tangde, Vijay M. [Post Graduate Teaching Department of Chemistry, Rashtrasant Tukadoji Maharaj Nagpur University, Amravati Road Campus, NAGPUR - 440 033, India, Email: vijaytn6@gmail.com (India)

2015-03-10

20{sup th} century theories of Quantum Mechanics and Quantum Chemistry are exactly valid only when considered to represent the atomic structures. While considering the more general aspects of atomic combinations these theories fail to explain all the related experimental data from first unadulterated axiomatic principles. According to Quantum Chemistry two valence electrons should repel each other and as such there is no mathematical representation of a strong attractive forces between such valence electrons. In view of these and other insufficiencies of Quantum Chemistry, an Italian-American Scientist Professor Ruggero Maria Santilli during his more than five decades of dedicated and sustained research has denounced the fact that quantum chemistry is mostly based on mere nomenclatures. Professor R M Santilli first formulated the iso-, geno- and hyper- mathematics [1, 2, 3, 4] that helped in understanding numerous diversified problems and removing inadequacies in most of the established and celebrated theories of 20th century physics and chemistry. This involves the isotopic, genotopic, etc. lifting of Lie algebra that generated Lie admissible mathematics to properly describe irreversible processes. The studies on Hadronic Mechanics in general and chemistry in particular based on Santilli’s mathematics[3, 4, 5] for the first time has removed the very fundamental limitations of quantum chemistry [2, 6, 7, 8]. In the present discussion, a comprehensive review of Hadronic Chemistry is presented that imparts the completeness to the Quantum Chemistry via an addition of effects at distances of the order of 1 fm (only) which are assumed to be Non-linear, Non-local, Non-potential, Non-hamiltonian and thus Non-unitary, stepwise successes of Hadronic Chemistry and its application in development of a new chemical species called Magnecules.

A gist of comprehensive review of hadronic chemistry and its applications

International Nuclear Information System (INIS)

Tangde, Vijay M.

2015-01-01

20 th century theories of Quantum Mechanics and Quantum Chemistry are exactly valid only when considered to represent the atomic structures. While considering the more general aspects of atomic combinations these theories fail to explain all the related experimental data from first unadulterated axiomatic principles. According to Quantum Chemistry two valence electrons should repel each other and as such there is no mathematical representation of a strong attractive forces between such valence electrons. In view of these and other insufficiencies of Quantum Chemistry, an Italian-American Scientist Professor Ruggero Maria Santilli during his more than five decades of dedicated and sustained research has denounced the fact that quantum chemistry is mostly based on mere nomenclatures. Professor R M Santilli first formulated the iso-, geno- and hyper- mathematics [1, 2, 3, 4] that helped in understanding numerous diversified problems and removing inadequacies in most of the established and celebrated theories of 20th century physics and chemistry. This involves the isotopic, genotopic, etc. lifting of Lie algebra that generated Lie admissible mathematics to properly describe irreversible processes. The studies on Hadronic Mechanics in general and chemistry in particular based on Santilli’s mathematics[3, 4, 5] for the first time has removed the very fundamental limitations of quantum chemistry [2, 6, 7, 8]. In the present discussion, a comprehensive review of Hadronic Chemistry is presented that imparts the completeness to the Quantum Chemistry via an addition of effects at distances of the order of 1 fm (only) which are assumed to be Non-linear, Non-local, Non-potential, Non-hamiltonian and thus Non-unitary, stepwise successes of Hadronic Chemistry and its application in development of a new chemical species called Magnecules

A Synthesis of Fluid Dynamics and Quantum Chemistry for the Design of Nanoelectronics

Science.gov (United States)

MacDougall, Preston J.

1998-01-01

In 1959, during a famous lecture entitled "There's Plenty of Room at the Bottom", Richard Feynman focused on the startling technical possibilities that would exist at the limit of miniaturization, that being atomically precise devices with dimensions in the nanometer range. A nanometer is both a convenient unit of length for medium to large sized molecules, and the root of the name of the new interdisciplinary field of "nanotechnology". Essentially, "nanoelectronics" denotes the goal of shrinking electronic devices, such as diodes and transistors, as well as integrated circuits of such devices that can perform logical operations, down to dimensions in the range of 100 nanometers. The thirty-year hiatus in the development of nanotechnology can figuratively be seen as a period of waiting for the bottom-up and atomically precise construction skills of synthetic chemistry to meet the top-down reductionist aspirations of device physics. The sub-nanometer domain of nineteenth-century classical chemistry has steadily grown, and state-of-the-art supramolecular chemistry can achieve atomic precision in non-repeating molecular assemblies of the size desired for nanotechnology. For nanoelectronics in particular, a basic understanding of the electron transport properties of molecules must also be developed. Quantum chemistry provides powerful computational methods that can accurately predict the properties of small to medium sized molecules on a desktop workstation, and those of large molecules if one has access to a supercomputer. Of the many properties of a molecule that quantum chemistry routinely predicts, the ability to carry a current is one that had not even been considered until recently. "Currently", there is a controversy over just how to define this key property. Reminiscent of the situation in high-Tc superconductivity, much of the difficulty arises from the different models that are used to simplify the complex electronic structure of real materials. A model

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.

Automated chemical kinetic modeling via hybrid reactive molecular dynamics and quantum chemistry simulations.

Science.gov (United States)

Döntgen, Malte; Schmalz, Felix; Kopp, Wassja A; Kröger, Leif C; Leonhard, Kai

2018-06-13

An automated scheme for obtaining chemical kinetic models from scratch using reactive molecular dynamics and quantum chemistry simulations is presented. This methodology combines the phase space sampling of reactive molecular dynamics with the thermochemistry and kinetics prediction capabilities of quantum mechanics. This scheme provides the NASA polynomial and modified Arrhenius equation parameters for all species and reactions that are observed during the simulation and supplies them in the ChemKin format. The ab initio level of theory for predictions is easily exchangeable and the presently used G3MP2 level of theory is found to reliably reproduce hydrogen and methane oxidation thermochemistry and kinetics data. Chemical kinetic models obtained with this approach are ready-to-use for, e.g., ignition delay time simulations, as shown for hydrogen combustion. The presented extension of the ChemTraYzer approach can be used as a basis for methodologically advancing chemical kinetic modeling schemes and as a black-box approach to generate chemical kinetic models.

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.

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

A Component Approach to Collaborative Scientific Software Development: Tools and Techniques Utilized by the Quantum Chemistry Science Application Partnership

Directory of Open Access Journals (Sweden)

Joseph P. Kenny

2008-01-01

Full Text Available Cutting-edge scientific computing software is complex, increasingly involving the coupling of multiple packages to combine advanced algorithms or simulations at multiple physical scales. Component-based software engineering (CBSE has been advanced as a technique for managing this complexity, and complex component applications have been created in the quantum chemistry domain, as well as several other simulation areas, using the component model advocated by the Common Component Architecture (CCA Forum. While programming models do indeed enable sound software engineering practices, the selection of programming model is just one building block in a comprehensive approach to large-scale collaborative development which must also address interface and data standardization, and language and package interoperability. We provide an overview of the development approach utilized within the Quantum Chemistry Science Application Partnership, identifying design challenges, describing the techniques which we have adopted to address these challenges and highlighting the advantages which the CCA approach offers for collaborative development.

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 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...

Coupled effects of solution chemistry and hydrodynamics on the mobility and transport of quantum dot nanomaterials in the Vadose Zone

Science.gov (United States)

To investigate the coupled effects of solution chemistry and vadose zone processes on the mobility of quantum dot (QD) nanoparticles, laboratory scale transport experiments were performed. The complex coupled effects of ionic strength, size of QD aggregates, surface tension, contact angle, infiltrat...

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 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

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"....

comparative assessment of university chemistry undergraduate

African Journals Online (AJOL)

Temechegn

The areas of chemistry covered are Introductory, Inorganic, Physical, Organic, and Quantum and ... various specialisations like Pure and Applied Chemistry, Analytical ... even engineering disciplines, a degree in chemistry can be the starting point. .... It is also to show the relevance of the instructional methods relative to the.

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.