Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation.

PubMed

Liu, Jian; Miller, William H

2008-09-28

The maximum entropy analytic continuation (MEAC) method is used to extend the range of accuracy of the linearized semiclassical initial value representation (LSC-IVR)/classical Wigner approximation for real time correlation functions. LSC-IVR provides a very effective "prior" for the MEAC procedure since it is very good for short times, exact for all time and temperature for harmonic potentials (even for correlation functions of nonlinear operators), and becomes exact in the classical high temperature limit. This combined MEAC+LSC/IVR approach is applied here to two highly nonlinear dynamical systems, a pure quartic potential in one dimensional and liquid para-hydrogen at two thermal state points (25 and 14 K under nearly zero external pressure). The former example shows the MEAC procedure to be a very significant enhancement of the LSC-IVR for correlation functions of both linear and nonlinear operators, and especially at low temperature where semiclassical approximations are least accurate. For liquid para-hydrogen, the LSC-IVR is seen already to be excellent at T=25 K, but the MEAC procedure produces a significant correction at the lower temperature (T=14 K). Comparisons are also made as to how the MEAC procedure is able to provide corrections for other trajectory-based dynamical approximations when used as priors.

Analysis of a semiclassical model for rotational transition probabilities. [in highly nonequilibrium flow of diatomic molecules

NASA Technical Reports Server (NTRS)

Deiwert, G. S.; Yoshikawa, K. K.

1975-01-01

A semiclassical model proposed by Pearson and Hansen (1974) for computing collision-induced transition probabilities in diatomic molecules is tested by the direct-simulation Monte Carlo method. Specifically, this model is described by point centers of repulsion for collision dynamics, and the resulting classical trajectories are used in conjunction with the Schroedinger equation for a rigid-rotator harmonic oscillator to compute the rotational energy transition probabilities necessary to evaluate the rotation-translation exchange phenomena. It is assumed that a single, average energy spacing exists between the initial state and possible final states for a given collision.

Quantum-Classical Correspondence Principle for Work Distributions

NASA Astrophysics Data System (ADS)

Jarzynski, Christopher; Quan, H. T.; Rahav, Saar

2015-07-01

For closed quantum systems driven away from equilibrium, work is often defined in terms of projective measurements of initial and final energies. This definition leads to statistical distributions of work that satisfy nonequilibrium work and fluctuation relations. While this two-point measurement definition of quantum work can be justified heuristically by appeal to the first law of thermodynamics, its relationship to the classical definition of work has not been carefully examined. In this paper, we employ semiclassical methods, combined with numerical simulations of a driven quartic oscillator, to study the correspondence between classical and quantal definitions of work in systems with 1 degree of freedom. We find that a semiclassical work distribution, built from classical trajectories that connect the initial and final energies, provides an excellent approximation to the quantum work distribution when the trajectories are assigned suitable phases and are allowed to interfere. Neglecting the interferences between trajectories reduces the distribution to that of the corresponding classical process. Hence, in the semiclassical limit, the quantum work distribution converges to the classical distribution, decorated by a quantum interference pattern. We also derive the form of the quantum work distribution at the boundary between classically allowed and forbidden regions, where this distribution tunnels into the forbidden region. Our results clarify how the correspondence principle applies in the context of quantum and classical work distributions and contribute to the understanding of work and nonequilibrium work relations in the quantum regime.

Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions. II. A simplified implementation.

PubMed

Tao, Guohua; Miller, William H

2012-09-28

An efficient time-dependent (TD) Monte Carlo (MC) importance sampling method has recently been developed [G. Tao and W. H. Miller, J. Chem. Phys. 135, 024104 (2011)] for the evaluation of time correlation functions using the semiclassical (SC) initial value representation (IVR) methodology. In this TD-SC-IVR method, the MC sampling uses information from both time-evolved phase points as well as their initial values, and only the "important" trajectories are sampled frequently. Even though the TD-SC-IVR was shown in some benchmark examples to be much more efficient than the traditional time-independent sampling method (which uses only initial conditions), the calculation of the SC prefactor-which is computationally expensive, especially for large systems-is still required for accepted trajectories. In the present work, we present an approximate implementation of the TD-SC-IVR method that is completely prefactor-free; it gives the time correlation function as a classical-like magnitude function multiplied by a phase function. Application of this approach to flux-flux correlation functions (which yield reaction rate constants) for the benchmark H + H(2) system shows very good agreement with exact quantum results. Limitations of the approximate approach are also discussed.

Semiclassical Wigner theory of photodissociation in three dimensions: Shedding light on its basis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arbelo-González, W.; CNRS, Institut des Sciences Moléculaires, UMR 5255, 33405 Talence; Université Bordeaux, Institut des Sciences Moléculaires, UMR 5255, 33405 Talence

2015-04-07

The semiclassical Wigner theory (SCWT) of photodissociation dynamics, initially proposed by Brown and Heller [J. Chem. Phys. 75, 186 (1981)] in order to describe state distributions in the products of direct collinear photodissociations, was recently extended to realistic three-dimensional triatomic processes of the same type [Arbelo-González et al., Phys. Chem. Chem. Phys. 15, 9994 (2013)]. The resulting approach, which takes into account rotational motions in addition to vibrational and translational ones, was applied to a triatomic-like model of methyl iodide photodissociation and its predictions were found to be in nearly quantitative agreement with rigorous quantum results, but at a muchmore » lower computational cost, making thereby SCWT a potential tool for the study of polyatomic reaction dynamics. Here, we analyse the main reasons for this agreement by means of an elementary model of fragmentation explicitly dealing with the rotational motion only. We show that our formulation of SCWT makes it a semiclassical approximation to an approximate planar quantum treatment of the dynamics, both of sufficient quality for the whole treatment to be satisfying.« less

Generalized Gibbs distribution and energy localization in the semiclassical FPU problem

NASA Astrophysics Data System (ADS)

Hipolito, Rafael; Danshita, Ippei; Oganesyan, Vadim; Polkovnikov, Anatoli

2011-03-01

We investigate dynamics of the weakly interacting quantum mechanical Fermi-Pasta-Ulam (qFPU) model in the semiclassical limit below the stochasticity threshold. Within this limit we find that initial quantum fluctuations lead to the damping of FPU oscillations and relaxation of the system to a slowly evolving steady state with energy localized within few momentum modes. We find that in large systems this state can be described by the generalized Gibbs ensemble (GGE), with the Lagrange multipliers being very weak functions of time. This ensembles gives accurate description of the instantaneous correlation functions, both quadratic and quartic. Based on these results we conjecture that GGE generically appears as a prethermalized state in weakly non-integrable systems.

Semiclassical Planetology: a progress report

NASA Astrophysics Data System (ADS)

Celebonovic, V.

1999-12-01

Work on planetary internal structure has started in Yugoslavia in the early sixties.It was initiated by P.Savic and R.Kasanin,who have jointly developed a theory of the behaviour of materials under high pressure.By its physical basis,this theory is semiclassical,because it is based on classical physics combined with some quantum mechanical results.The calculations in the theory ( both laboratory and planetological) are baed on ths idea that high pressure leads to excitation and ionisation of atoms and/or molecules which make up the specimen. In this paper we shall briefly present the main ideas of this theory,and then discuss its planetological applications. References P.Savic and V.Celebonovic: 1994,AIP Conf.Proc.,vol.309,p.53. V.Celebonovic: 1999,preprint cond-mat/9906027

Semiclassical IVR treatment of reactive collisions

NASA Astrophysics Data System (ADS)

Elran, Y.; Kay, K. G.

2002-06-01

We generalize a recently-developed semiclassical uniform initial value representation (IVR) treatment of the S-matrix [Y. Elran and K. G. Kay, J. Chem. Phys. 114, 4362 (2001)] to chaotic nonreactive and reactive collinear scattering. The present modifications allow one to determine the phase of the complex IVR integrand in a unique and practical manner even when the integrand is discontinuous or rapidly varying. The method is applied to the collinear H+H2 exchange reaction on the Porter-Karplus surface. A strategy is introduced for adapting the integration over the chaotic chattering zones to the fractal nature of the integrand. The results indicate that the technique is capable of good accuracy while requiring a relatively small number of trajectories per energy.

The isentropic quantum drift-diffusion model in two or three space dimensions

NASA Astrophysics Data System (ADS)

Chen, Xiuqing

2009-05-01

We investigate the isentropic quantum drift-diffusion model, a fourth order parabolic system, in space dimensions d = 2, 3. First, we establish the global weak solutions with large initial value and periodic boundary conditions. Then we show the semiclassical limit by delicate interpolation estimates and compactness argument.

Semiclassical matrix model for quantum chaotic transport with time-reversal symmetry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Novaes, Marcel, E-mail: marcel.novaes@gmail.com

2015-10-15

We show that the semiclassical approach to chaotic quantum transport in the presence of time-reversal symmetry can be described by a matrix model. In other words, we construct a matrix integral whose perturbative expansion satisfies the semiclassical diagrammatic rules for the calculation of transport statistics. One of the virtues of this approach is that it leads very naturally to the semiclassical derivation of universal predictions from random matrix theory.

Semiclassical black holes expose forbidden charges and censor divergent densities

NASA Astrophysics Data System (ADS)

Brustein, Ram; Medved, A. J. M.

2013-09-01

Classically, the horizon of a Schwarzschild black hole (BH) is a rigid surface of infinite redshift; whereas the uncertainty principle dictates that the semiclassical (would-be) horizon cannot be fixed in space nor can it exhibit any divergences. We propose that this distinction underlies the BH information-loss paradox, the apparent absence of BH hair, the so-called trans-Planckian problem and the recent "firewall" controversy. We argue that the correct prescription is to first integrate out the fluctuations of the background geometry and only then evaluate matter observables. The basic idea is illustrated using a system of two strongly coupled harmonic oscillators, with the heavier oscillator representing the background. We then apply our proposal to matter fields near a BH horizon, initially treating the matter fields as classical and the background as semiclassical. In this case, the average value of the associated current does not vanish; so that it is possible, in pr inciple, to measure the global charge of the BH. Then the matter is, in addition to the background, treated quantum mechanically. We show that the average energy density of matter as seen by an asymptotic observer is finite and proportional to the BH entropy, rather than divergent. We discuss the implications of our results for the various controversial issues concerning BH physics.

Mixed semiclassical-classical propagators for the Wigner phase space representation

NASA Astrophysics Data System (ADS)

Koda, Shin-ichi

2016-04-01

We formulate mixed semiclassical-classical (SC-Cl) propagators by adding a further approximation to the phase-space SC propagators, which have been formulated in our previous paper [S. Koda, J. Chem. Phys. 143, 244110 (2015)]. We first show that the stationary phase approximation over the operation of the phase-space van Vleck propagator on initial distribution functions results in the classical mechanical time propagation. Then, after dividing the degrees of freedom (DOFs) of the total system into the semiclassical DOFs and the classical DOFs, the SC-Cl van Vleck propagator and the SC-Cl Herman-Kluk (HK) propagator are derived by performing the stationary phase approximation only with respect to the classical DOFs. These SC-Cl propagators are naturally decomposed to products of the phase-space SC propagators and the classical mechanical propagators when the system does not have any interaction between the semiclassical and the classical DOFs. In addition, we also numerically compare the original phase-space HK (full HK) propagator and the SC-Cl HK propagator in terms of accuracy and efficiency to find that the accuracy of the SC-Cl HK propagator can be comparable to that of the full HK propagator although the latter is more accurate than the former in general. On the other hand, we confirm that the convergence speed of the SC-Cl HK propagator is faster than that of the full HK propagator. The present numerical tests indicate that the SC-Cl HK propagator can be more accurate than the full HK propagator when they use a same and finite number of classical trajectories due to the balance of the accuracy and the efficiency.

Mixed semiclassical-classical propagators for the Wigner phase space representation.

PubMed

Koda, Shin-Ichi

2016-04-21

We formulate mixed semiclassical-classical (SC-Cl) propagators by adding a further approximation to the phase-space SC propagators, which have been formulated in our previous paper [S. Koda, J. Chem. Phys. 143, 244110 (2015)]. We first show that the stationary phase approximation over the operation of the phase-space van Vleck propagator on initial distribution functions results in the classical mechanical time propagation. Then, after dividing the degrees of freedom (DOFs) of the total system into the semiclassical DOFs and the classical DOFs, the SC-Cl van Vleck propagator and the SC-Cl Herman-Kluk (HK) propagator are derived by performing the stationary phase approximation only with respect to the classical DOFs. These SC-Cl propagators are naturally decomposed to products of the phase-space SC propagators and the classical mechanical propagators when the system does not have any interaction between the semiclassical and the classical DOFs. In addition, we also numerically compare the original phase-space HK (full HK) propagator and the SC-Cl HK propagator in terms of accuracy and efficiency to find that the accuracy of the SC-Cl HK propagator can be comparable to that of the full HK propagator although the latter is more accurate than the former in general. On the other hand, we confirm that the convergence speed of the SC-Cl HK propagator is faster than that of the full HK propagator. The present numerical tests indicate that the SC-Cl HK propagator can be more accurate than the full HK propagator when they use a same and finite number of classical trajectories due to the balance of the accuracy and the efficiency.

Non-Condon nonequilibrium Fermi’s golden rule rates from the linearized semiclassical method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Xiang; Geva, Eitan

2016-08-14

The nonequilibrium Fermi’s golden rule describes the transition between a photoexcited bright donor electronic state and a dark acceptor electronic state, when the nuclear degrees of freedom start out in a nonequilibrium state. In a previous paper [X. Sun and E. Geva, J. Chem. Theory Comput. 12, 2926 (2016)], we proposed a new expression for the nonequilibrium Fermi’s golden rule within the framework of the linearized semiclassical approximation and based on the Condon approximation, according to which the electronic coupling between donor and acceptor is assumed constant. In this paper we propose a more general expression, which is applicable tomore » the case of non-Condon electronic coupling. We test the accuracy of the new non-Condon nonequilibrium Fermi’s golden rule linearized semiclassical expression on a model where the donor and acceptor potential energy surfaces are parabolic and identical except for shifts in the equilibrium energy and geometry, and the coupling between them is linear in the nuclear coordinates. Since non-Condon effects may or may not give rise to conical intersections, both possibilities are examined by considering the following: (1) A modified Garg-Onuchic-Ambegaokar model for charge transfer in the condensed phase, where the donor-acceptor coupling is linear in the primary-mode coordinate, and for which non-Condon effects do not give rise to a conical intersection; (2) the linear vibronic coupling model for electronic transitions in gas phase molecules, where non-Condon effects give rise to conical intersections. We also present a comprehensive comparison between the linearized semiclassical expression and a progression of more approximate expressions, in both normal and inverted regions, and over a wide range of initial nonequilibrium states, temperatures, and frictions.« less

Improved multidimensional semiclassical tunneling theory.

PubMed

Wagner, Albert F

2013-12-12

We show that the analytic multidimensional semiclassical tunneling formula of Miller et al. [Miller, W. H.; Hernandez, R.; Handy, N. C.; Jayatilaka, D.; Willets, A. Chem. Phys. Lett. 1990, 172, 62] is qualitatively incorrect for deep tunneling at energies well below the top of the barrier. The origin of this deficiency is that the formula uses an effective barrier weakly related to the true energetics but correctly adjusted to reproduce the harmonic description and anharmonic corrections of the reaction path at the saddle point as determined by second order vibrational perturbation theory. We present an analytic improved semiclassical formula that correctly includes energetic information and allows a qualitatively correct representation of deep tunneling. This is done by constructing a three segment composite Eckart potential that is continuous everywhere in both value and derivative. This composite potential has an analytic barrier penetration integral from which the semiclassical action can be derived and then used to define the semiclassical tunneling probability. The middle segment of the composite potential by itself is superior to the original formula of Miller et al. because it incorporates the asymmetry of the reaction barrier produced by the known reaction exoergicity. Comparison of the semiclassical and exact quantum tunneling probability for the pure Eckart potential suggests a simple threshold multiplicative factor to the improved formula to account for quantum effects very near threshold not represented by semiclassical theory. The deep tunneling limitations of the original formula are echoed in semiclassical high-energy descriptions of bound vibrational states perpendicular to the reaction path at the saddle point. However, typically ab initio energetic information is not available to correct it. The Supporting Information contains a Fortran code, test input, and test output that implements the improved semiclassical tunneling formula.

Semi-classical analysis and pseudo-spectra

NASA Astrophysics Data System (ADS)

Davies, E. B.

We prove an approximate spectral theorem for non-self-adjoint operators and investigate its applications to second-order differential operators in the semi-classical limit. This leads to the construction of a twisted FBI transform. We also investigate the connections between pseudo-spectra and boundary conditions in the semi-classical limit.

Charge Exchange in Slow Collisions of O+ with He

NASA Astrophysics Data System (ADS)

Zhao, L. B.; Joseph, D. C.; Saha, B. C.; Lebermann, H. P.; Funke, P.; Buenker, R. J.

2009-03-01

A comparative study is reported for the charge transfer in collisions of O^+ with He using the fully quantal and semiclassical molecular-orbital close-coupling (MOCC) approaches in the adiabatic representation. The electron capture processes O^+(^4S^o, ^2D^o, ^2P^o) + He -> O(^3P) + He^+ are recalculated. The semiclassical MOCC approach was examined by a detailed comparision of cross sections and transition probabilities from both the fully quantal and semiclassical MOCC approaches. The discrepancies reported previously between the semiclassical and the quantal MOCC cross sections may be attributed due to the insufficient step-size resolution of the semiclassical calculations. Our results are also compared with the experimental cross sections and found good agreements. This work is supported by NSF, CREST program (Grant#0630370).

GENERAL: Scattering Phase Correction for Semiclassical Quantization Rules in Multi-Dimensional Quantum Systems

NASA Astrophysics Data System (ADS)

Huang, Wen-Min; Mou, Chung-Yu; Chang, Cheng-Hung

2010-02-01

While the scattering phase for several one-dimensional potentials can be exactly derived, less is known in multi-dimensional quantum systems. This work provides a method to extend the one-dimensional phase knowledge to multi-dimensional quantization rules. The extension is illustrated in the example of Bogomolny's transfer operator method applied in two quantum wells bounded by step potentials of different heights. This generalized semiclassical method accurately determines the energy spectrum of the systems, which indicates the substantial role of the proposed phase correction. Theoretically, the result can be extended to other semiclassical methods, such as Gutzwiller trace formula, dynamical zeta functions, and semiclassical Landauer-Büttiker formula. In practice, this recipe enhances the applicability of semiclassical methods to multi-dimensional quantum systems bounded by general soft potentials.

Electronic propensity rules in Li-H+ collisions involving initial and/or final oriented states

NASA Astrophysics Data System (ADS)

Salas, P. J.

2000-12-01

Electronic excitation and capture processes are studied in collisions involving systems with only one active electron such as the alkaline (Li)-proton in the medium-energy region (0.1-15 keV). Using the semiclassical impact parameter method, the probabilities and the orientation parameter are calculated for transitions between initial and/or final oriented states. The results show a strong asymmetry in the probabilities depending on the orientation of the initial and/or final states. An intuitive view of the processes, by means of the concepts of propensity and velocity matching rules, is provided.

Dam break problem for the focusing nonlinear Schrödinger equation and the generation of rogue waves

NASA Astrophysics Data System (ADS)

El, G. A.; Khamis, E. G.; Tovbis, A.

2016-09-01

We propose a novel, analytically tractable, scenario of the rogue wave formation in the framework of the small-dispersion focusing nonlinear Schrödinger (NLS) equation with the initial condition in the form of a rectangular barrier (a ‘box’). We use the Whitham modulation theory combined with the nonlinear steepest descent for the semi-classical inverse scattering transform, to describe the evolution and interaction of two counter-propagating nonlinear wave trains—the dispersive dam break flows—generated in the NLS box problem. We show that the interaction dynamics results in the emergence of modulated large-amplitude quasi-periodic breather lattices whose amplitude profiles are closely approximated by the Akhmediev and Peregrine breathers within certain space-time domain. Our semi-classical analytical results are shown to be in excellent agreement with the results of direct numerical simulations of the small-dispersion focusing NLS equation.

Cascading and local-field effects in non-linear optics revisited: a quantum-field picture based on exchange of photons.

PubMed

Bennett, Kochise; Mukamel, Shaul

2014-01-28

The semi-classical theory of radiation-matter coupling misses local-field effects that may alter the pulse time-ordering and cascading that leads to the generation of new signals. These are then introduced macroscopically by solving Maxwell's equations. This procedure is convenient and intuitive but ad hoc. We show that both effects emerge naturally by including coupling to quantum modes of the radiation field that are initially in the vacuum state to second order. This approach is systematic and suggests a more general class of corrections that only arise in a QED framework. In the semi-classical theory, which only includes classical field modes, the susceptibility of a collection of N non-interacting molecules is additive and scales as N. Second-order coupling to a vacuum mode generates an effective retarded interaction that leads to cascading and local field effects both of which scale as N(2).

Trace identities and their semiclassical implications

NASA Astrophysics Data System (ADS)

Smilansky, Uzy

2000-03-01

The compatibility of the semiclassical quantization of area-preserving maps with some exact identities which follow from the unitarity of the quantum evolution operator is discussed. The quantum identities involve relations between traces of powers of the evolution operator. For classically integrable maps, the semiclassical approximation is shown to be compatible with the trace identities. This is done by the identification of stationary phase manifolds which give the main contributions to the result. The compatibility of the semiclassical quantization with the trace identities demonstrates the crucial importance of non-diagonal contributions. The same technique is not applicable for chaotic maps, and the compatibility of the semiclassical theory in this case remains unsettled. However, the trace identities are applied to maps which appear naturally in the theory of quantum graphs, revealing some features of the periodic orbit theory for these paradigms of quantum chaos.

Some Remarks about Semiclassical Trace Invariants and Quantum Normal Forms

NASA Astrophysics Data System (ADS)

Guillemin, Victor; Paul, Thierry

2010-02-01

In this paper we explore the connection between semi-classical and quantum Birkhoff canonical forms (BCF) for Schrödinger operators. In particular we give a “non-symbolic” operator theoretic derivation of the quantum Birkhoff canonical form and provide an explicit recipe for expressing the quantum BCF in terms of the semi-classical BCF.

Average Nuclear Potentials from Selfconsistent Semiclassical Calculations

NASA Astrophysics Data System (ADS)

Bartel, J.

1999-03-01

Using the selfconsistent semiclassical Extended Thomas-Fermi (ETF) method up to 4th order in connection with Skyrme forces it is demonstrated that the neutron and proton average potentials obtained using the semiclassical functionals τ (ETF)[ρ] and vec {J}(ETF)[ρ] reproduce the corresponding Hartree-Fock fields extremely well, except for shell oscillations in the nuclear center.

Newtonian semiclassical gravity in three ontological quantum theories that solve the measurement problem: Formalisms and empirical predictions

NASA Astrophysics Data System (ADS)

Derakhshani, Maaneli

In this thesis, we consider the implications of solving the quantum measurement problem for the Newtonian description of semiclassical gravity. First we review the formalism of the Newtonian description of semiclassical gravity based on standard quantum mechanics---the Schroedinger-Newton theory---and two well-established predictions that come out of it, namely, gravitational 'cat states' and gravitationally-induced wavepacket collapse. Then we review three quantum theories with 'primitive ontologies' that are well-known known to solve the measurement problem---Schroedinger's many worlds theory, the GRW collapse theory with matter density ontology, and Nelson's stochastic mechanics. We extend the formalisms of these three quantum theories to Newtonian models of semiclassical gravity and evaluate their implications for gravitational cat states and gravitational wavepacket collapse. We find that (1) Newtonian semiclassical gravity based on Schroedinger's many worlds theory is mathematically equivalent to the Schroedinger-Newton theory and makes the same predictions; (2) Newtonian semiclassical gravity based on the GRW theory differs from Schroedinger-Newton only in the use of a stochastic collapse law, but this law allows it to suppress gravitational cat states so as not to be in contradiction with experiment, while allowing for gravitational wavepacket collapse to happen as well; (3) Newtonian semiclassical gravity based on Nelson's stochastic mechanics differs significantly from Schroedinger-Newton, and does not predict gravitational cat states nor gravitational wavepacket collapse. Considering that gravitational cat states are experimentally ruled out, but gravitational wavepacket collapse is testable in the near future, this implies that only the latter two are viable theories of Newtonian semiclassical gravity and that they can be experimentally tested against each other in future molecular interferometry experiments that are anticipated to be capable of testing the gravitational wavepacket collapse prediction.

Semiclassical quantization of Bohr orbits in the helium atom

NASA Astrophysics Data System (ADS)

Belov, V. V.; Maksimov, V. A.

2007-05-01

We use the complex WKB-Maslov method to construct the semiclassical spectral series corresponding to the resonance Bohr orbits in the helium atom. The semiclassical energy levels represented as the Rydberg tetra series correspond to the doubly symmetrically excited states of helium-like atoms. This level series contains the Rydberg triple series reported by Richter and Wintgen in 1991, which corresponds to the Z2+e-e- configuration of electrons observed by Eichmann and his collaborators in experiments on the laser excitation of the barium atom in 1992. The lower-level extrapolation of the formula obtained for the semiclassical spectrum gives the value of the ground state energy, which differs by 6% from the experimental value obtained by Bergeson and his collaborators in 1998. We also calculate the fine structure of the semiclassical spectrum due to the spin-orbit and spin-spin interactions of electrons.

On Generalized Continuous D Semi-Classical Hermite and Chebychev Orthogonal Polynomials of Class One

NASA Astrophysics Data System (ADS)

Azatassou, E.; Hounkonnou, M. N.

2002-10-01

In this contribution, starting from the system of equations for recurrence coefficients generated by continuous D semi-classical Laguerre-Freud equations of class 1, we deduce the β constant recurrence relation coefficient γn leading to the generalized D semi-classical Hermite and Chebychev orthogonal polynomials of class 1. Various interesting cases are pointed out.

Semiclassical fermion pair creation in de Sitter spacetime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stahl, Clément, E-mail: clement.stahl@icranet.org; Eckhard, Strobel, E-mail: eckhard.strobel@irap-phd.eu; Dipartimento di Fisica, Università di Roma “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome

2015-12-17

We present a method to semiclassically compute the pair creation rate of bosons and fermions in de Sitter spacetime. The results in the bosonic case agree with the ones in the literature. We find that for the constant electric field the fermionic and bosonic pair creation rate are the same. This analogy of bosons and fermions in the semiclassical limit is known from several flat spacetime examples.

Uniform semiclassical sudden approximation for rotationally inelastic scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Korsch, H.J.; Schinke, R.

1980-08-01

The infinite-order-sudden (IOS) approximation is investigated in the semiclassical limit. A simplified IOS formula for rotationally inelastic differential cross sections is derived involving a uniform stationary phase approximation for two-dimensional oscillatory integrals with two stationary points. The semiclassical analysis provides a quantitative description of the rotational rainbow structure in the differential cross section. The numerical calculation of semiclassical IOS cross sections is extremely fast compared to numerically exact IOS methods, especially if high ..delta..j transitions are involved. Rigid rotor results for He--Na/sub 2/ collisions with ..delta..j< or approx. =26 and for K--CO collisions with ..delta..j< or approx. =70 show satisfactorymore » agreement with quantal IOS calculations.« less

Comparative study of quantal and semiclassical treatments of charge transfer between O+ and He

NASA Astrophysics Data System (ADS)

Zhao, L. B.; Joseph, D. C.; Saha, B. C.; Liebermann, H. P.; Funke, P.; Buenker, R. J.

2009-03-01

A comparative study for the electron capture process O+(S40,D20,P20)+He→O(P3)+He+ is reported. The cross sections are calculated using fully quantal and semiclassical molecular-orbital close-coupling (MOCC) approaches in the adiabatic representation. Detailed comparison of transition probabilities and cross sections is made from both MOCC approaches and displays close agreement above ˜125eV/u . The remarkable discrepancies between the earlier semiclassical and quantal MOCC approaches may be attributed to the insufficient step-size resolution in their semiclassical calculation [M. Kimura , Phys. Rev. A 50, 4854 (1994)]. Our results have also been compared with experiment and found to be in good agreement.

Symmetry and conservation laws in semiclassical wave packet dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ohsawa, Tomoki, E-mail: tomoki@utdallas.edu

2015-03-15

We formulate symmetries in semiclassical Gaussian wave packet dynamics and find the corresponding conserved quantities, particularly the semiclassical angular momentum, via Noether’s theorem. We consider two slightly different formulations of Gaussian wave packet dynamics; one is based on earlier works of Heller and Hagedorn and the other based on the symplectic-geometric approach by Lubich and others. In either case, we reveal the symplectic and Hamiltonian nature of the dynamics and formulate natural symmetry group actions in the setting to derive the corresponding conserved quantities (momentum maps). The semiclassical angular momentum inherits the essential properties of the classical angular momentum asmore » well as naturally corresponds to the quantum picture.« less

Closed almost-periodic orbits in semiclassical quantization of generic polygons

PubMed

Biswas

2000-05-01

Periodic orbits are the central ingredients of modern semiclassical theories and corrections to these are generally nonclassical in origin. We show here that, for the class of generic polygonal billiards, the corrections are predominantly classical in origin owing to the contributions from closed almost-periodic (CAP) orbit families. Furthermore, CAP orbit families outnumber periodic families but have comparable weights. They are hence indispensable for semiclassical quantization.

Semiclassics for matrix Hamiltonians: The Gutzwiller trace formula with applications to graphene-type systems

NASA Astrophysics Data System (ADS)

Vogl, M.; Pankratov, O.; Shallcross, S.

2017-07-01

We present a tractable and physically transparent semiclassical theory of matrix-valued Hamiltonians, i.e., those that describe quantum systems with internal degrees of freedoms, based on a generalization of the Gutzwiller trace formula for a n ×n dimensional Hamiltonian H (p ̂,q ̂) . The classical dynamics is governed by n Hamilton-Jacobi (HJ) equations that act in a phase space endowed with a classical Berry curvature encoding anholonomy in the parallel transport of the eigenvectors of H (p ,q ) ; these vectors describe the internal structure of the semiclassical particles. At the O (ℏ1) level and for nondegenerate HJ systems, this curvature results in an additional semiclassical phase composed of (i) a Berry phase and (ii) a dynamical phase resulting from the classical particles "moving through the Berry curvature". We show that the dynamical part of this semiclassical phase will, generally, be zero only for the case in which the Berry phase is topological (i.e., depends only on the winding number). We illustrate the method by calculating the Landau spectrum for monolayer graphene, the four-band model of AB bilayer graphene, and for a more complicated matrix Hamiltonian describing the silicene band structure. Finally, we apply our method to an inhomogeneous system consisting of a strain engineered one-dimensional moiré in bilayer graphene, finding localized states near the Dirac point that arise from electron trapping in a semiclassical moiré potential. The semiclassical density of states of these localized states we show to be in perfect agreement with an exact quantum mechanical calculation of the density of states.

On the JWKB solution of the uniformly lengthening pendulum via change of independent variable in the Bessel's equation

NASA Astrophysics Data System (ADS)

Deniz, Coşkun

2017-01-01

Common recipe for the lengthening pendulum (LP) involves some change of variables to give a relationship with the Bessel's equation. In this work, conventional semiclassical JWKB solution (named after Jeffreys, Wentzel, Kramers and Brillouin) of the LP is being obtained by first transforming the related Bessel's equation into the normal form `via the suggested change of independent variable'. JWKB approximation of the first-order Bessel functions ( ν=1) of both types along with their zeros are being obtained analytically with a very good accuracy as a result of the appropriately chosen associated initial values and they are extended to the neighbouring orders ( ν=0 and 2) by the recursion relations. The required initial values are also being studied and a quantization rule regarding the experimental LP parameters is being determined. Although common numerical methods given in the literature require adiabatic LP systems where the lengthening rate is slow, JWKB solution presented here can safely be used for higher lengthening rates and a criterion for its validity is determined by the JWKB applicability criterion given in the literature. As a result, the semiclassical JWKB method which is normally used for the quantum mechanical and optical waveguide systems is applied to the classical LP system successfully.

Dynamical cluster approximation plus semiclassical approximation study for a Mott insulator and d-wave pairing

NASA Astrophysics Data System (ADS)

Kim, SungKun; Lee, Hunpyo

2017-06-01

Via a dynamical cluster approximation with N c = 4 in combination with a semiclassical approximation (DCA+SCA), we study the doped two-dimensional Hubbard model. We obtain a plaquette antiferromagnetic (AF) Mott insulator, a plaquette AF ordered metal, a pseudogap (or d-wave superconductor) and a paramagnetic metal by tuning the doping concentration. These features are similar to the behaviors observed in copper-oxide superconductors and are in qualitative agreement with the results calculated by the cluster dynamical mean field theory with the continuous-time quantum Monte Carlo (CDMFT+CTQMC) approach. The results of our DCA+SCA differ from those of the CDMFT+CTQMC approach in that the d-wave superconducting order parameters are shown even in the high doped region, unlike the results of the CDMFT+CTQMC approach. We think that the strong plaquette AF orderings in the dynamical cluster approximation (DCA) with N c = 4 suppress superconducting states with increasing doping up to strongly doped region, because frozen dynamical fluctuations in a semiclassical approximation (SCA) approach are unable to destroy those orderings. Our calculation with short-range spatial fluctuations is initial research, because the SCA can manage long-range spatial fluctuations in feasible computational times beyond the CDMFT+CTQMC tool. We believe that our future DCA+SCA calculations should supply information on the fully momentum-resolved physical properties, which could be compared with the results measured by angle-resolved photoemission spectroscopy experiments.

Phase-Space Approach to the Tunnel Effect: A New Semiclassical Traversal Time

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xavier, A.L. Jr.; de Aguiar, M.A.

1997-11-01

We determine the semiclassical coherent-state propagator for a particle going through one-dimensional evolution in a simple barrier potential. The described semiclassical method makes use of complex trajectories which, by its turn, enables the definition of (real) traversal times in the complexified phase space. We then discuss the behavior of this time for a wave packet whose average energy is below the barrier height. {copyright} {ital 1997} {ital The American Physical Society}

Error of semiclassical eigenvalues in the semiclassical limit - an asymptotic analysis of the Sinai billiard

NASA Astrophysics Data System (ADS)

Dahlqvist, Per

1999-10-01

We estimate the error in the semiclassical trace formula for the Sinai billiard under the assumption that the largest source of error is due to penumbra diffraction: namely, diffraction effects for trajectories passing within a distance Ricons/Journals/Common/cdot" ALT="cdot" ALIGN="TOP"/>O((kR)-2/3) to the disc and trajectories being scattered in very forward directions. Here k is the momentum and R the radius of the scatterer. The semiclassical error is estimated by perturbing the Berry-Keating formula. The analysis necessitates an asymptotic analysis of very long periodic orbits. This is obtained within an approximation originally due to Baladi, Eckmann and Ruelle. We find that the average error, for sufficiently large values of kR, will exceed the mean level spacing.

Semiclassical relation between open trajectories and periodic orbits for the Wigner time delay.

PubMed

Kuipers, Jack; Sieber, Martin

2008-04-01

The Wigner time delay of a classically chaotic quantum system can be expressed semiclassically either in terms of pairs of scattering trajectories that enter and leave the system or in terms of the periodic orbits trapped inside the system. We show how these two pictures are related on the semiclassical level. We start from the semiclassical formula with the scattering trajectories and derive from it all terms in the periodic orbit formula for the time delay. The main ingredient in this calculation are correlations between scattering trajectories which are due to trajectories that approach the trapped periodic orbits closely. The equivalence between the two pictures is also demonstrated by considering correlation functions of the time delay. A corresponding calculation for the conductance gives no periodic orbit contributions in leading order.

Semiclassical states on Lie algebras

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsobanjan, Artur, E-mail: artur.tsobanjan@gmail.com

2015-03-15

The effective technique for analyzing representation-independent features of quantum systems based on the semiclassical approximation (developed elsewhere) has been successfully used in the context of the canonical (Weyl) algebra of the basic quantum observables. Here, we perform the important step of extending this effective technique to the quantization of a more general class of finite-dimensional Lie algebras. The case of a Lie algebra with a single central element (the Casimir element) is treated in detail by considering semiclassical states on the corresponding universal enveloping algebra. Restriction to an irreducible representation is performed by “effectively” fixing the Casimir condition, following themore » methods previously used for constrained quantum systems. We explicitly determine the conditions under which this restriction can be consistently performed alongside the semiclassical truncation.« less

Spurious Excitations in Semiclassical Scattering Theory.

ERIC Educational Resources Information Center

Gross, D. H. E.; And Others

1980-01-01

Shows how through proper handling of the nonuniform motion of semiclassical coordinates spurious excitation terms are eliminated. An application to the problem of nuclear Coulomb excitation is presented as an example. (HM)

Semiclassical Virasoro blocks from AdS 3 gravity

DOE PAGES

Hijano, Eliot; Kraus, Per; Perlmutter, Eric; ...

2015-12-14

We present a unified framework for the holographic computation of Virasoro conformal blocks at large central charge. In particular, we provide bulk constructions that correctly reproduce all semiclassical Virasoro blocks that are known explicitly from conformal field theory computations. The results revolve around the use of geodesic Witten diagrams, recently introduced in [1], evaluated in locally AdS 3 geometries generated by backreaction of heavy operators. We also provide an alternative computation of the heavy-light semiclassical block — in which two external operators become parametrically heavy — as a certain scattering process involving higher spin gauge fields in AdS 3; thismore » approach highlights the chiral nature of Virasoro blocks. Finally, these techniques may be systematically extended to compute corrections to these blocks and to interpolate amongst the different semiclassical regimes.« less

Semiclassical evaluation of quantum fidelity

NASA Astrophysics Data System (ADS)

Vanicek, Jiri

2004-03-01

We present a numerically feasible semiclassical method to evaluate quantum fidelity (Loschmidt echo) in a classically chaotic system. It was thought that such evaluation would be intractable, but instead we show that a uniform semiclassical expression not only is tractable but it gives remarkably accurate numerical results for the standard map in both the Fermi-golden-rule and Lyapunov regimes. Because it allows a Monte-Carlo evaluation, this uniform expression is accurate at times where there are 10^70 semiclassical contributions. Remarkably, the method also explicitly contains the ``building blocks'' of analytical theories of recent literature, and thus permits a direct test of approximations made by other authors in these regimes, rather than an a posteriori comparison with numerical results. We explain in more detail the extended validity of the classical perturbation approximation and thus provide a ``defense" of the linear response theory from the famous Van Kampen objection. We point out the potential use of our uniform expression in other areas because it gives a most direct link between the quantum Feynman propagator based on the path integral and the semiclassical Van Vleck propagator based on the sum over classical trajectories. Finally, we test the applicability of our method in integrable and mixed systems.

Reaching quantum limits for phase-shift detection with semiclassical states

NASA Astrophysics Data System (ADS)

Luis, Alfredo

2004-01-01

We present two measuring strategies reaching the Heisenberg limit for phase-shift measurements using semiclassical coherent states exclusively. We examine their performance by assuming practical experimental conditions such as losses and nonideal detectors.

Semiclassical approximations in the coherent-state representation

NASA Technical Reports Server (NTRS)

Kurchan, J.; Leboeuf, P.; Saraceno, M.

1989-01-01

The semiclassical limit of the stationary Schroedinger equation in the coherent-state representation is analyzed simultaneously for the groups W1, SU(2), and SU(1,1). A simple expression for the first two orders for the wave function and the associated semiclassical quantization rule is obtained if a definite choice for the classical Hamiltonian and expansion parameter is made. The behavior of the modulus of the wave function, which is a distribution function in a curved phase space, is studied for the three groups. The results are applied to the quantum triaxial rotor.

The extreme wings of atomic emission and absorption lines. [in low pressure gases

NASA Technical Reports Server (NTRS)

Dalgarno, A.; Sando, K. M.

1973-01-01

Consideration of the extreme wings of atomic and molecular emission and absorption lines in low pressure gases. Classical and semiclassical results are compared with accurate quantal calculations of the self-broadening of Lyman-alpha in the hydrogen absorption spectrum that arises from quasimolecular transition. The results of classical, quantal, and semiclassical calculations of the absorption coefficient in the red wing are shown for temperatures of 500, 200, and 100 K. The semiclassical and quantal spectra agree well in shape at 500 K. Various other findings are discused.

Why firewalls need not exist

DOE PAGES

Nomura, Yasunori; Salzetta, Nico

2016-08-04

The firewall paradox for black holes is often viewed as indicating a conflict between unitarity and the equivalence principle. We elucidate how the paradox manifests as a limitation of semiclassical theory, rather than presents a conflict between fundamental principles. Two principal features of the fundamental and semiclassical theories address two versions of the paradox: the entanglement and typicality arguments. First, the physical Hilbert space describing excitations on a fixed black hole background in the semiclassical theory is exponentially smaller than the number of physical states in the fundamental theory of quantum gravity. Second, in addition to the Hilbert space formore » physical excitations, the semiclassical theory possesses an unphysically large Fock space built by creation and annihilation operators on the fixed black hole background. Understanding these features not only eliminates the necessity of firewalls but also leads to a new picture of Hawking emission contrasting pair creation at the horizon.« less

Pre-Hawking radiation cannot prevent the formation of apparent horizon

NASA Astrophysics Data System (ADS)

Chen, Pisin; Unruh, William G.; Wu, Chih-Hung; Yeom, Dong-Han

2018-03-01

As an attempt to solve the black hole information loss paradox, recently there has been the suggestion that, due to semiclassical effects, a pre-Hawking radiation must exist during the gravitational collapse of matter, which in turn prevents the apparent horizon from forming. Assuming the pre-Hawking radiation does exist, here we argue the opposite. First we note that the stress energy tensor near the horizon for the pre-Hawking radiation is far too small to do anything to the motion of a collapsing shell. Thus the shell will always cross the apparent horizon within a finite proper time. Moreover, the amount of energy that can be radiated must be less than half of the total initial energy (if the particle starts at rest at infinity) before the shell becomes a null shell and cannot radiate any more without becoming tachyonic. We conclude that for any gravitational collapsing process within Einstein gravity and semiclassical quantum field theory, the formation of the apparent horizon is inevitable. Pre-Hawking radiation is therefore not a valid solution to the information paradox.

Pre-Hawking radiation cannot prevent the formation of apparent horizon

DOE PAGES

Chen, Pisin; Unruh, William G.; Wu, Chih-Hung; ...

2018-03-30

As an attempt to solve the black hole information loss paradox, recently there has been the suggestion that, due to semiclassical effects, a pre-Hawking radiation must exist during the gravitational collapse of matter, which in turn prevents the apparent horizon from forming. Assuming the pre-Hawking radiation does exist, here we argue the opposite. First we note that the stress energy tensor near the horizon for the pre-Hawking radiation is far too small to do anything to the motion of a collapsing shell. Thus the shell will always cross the apparent horizon within a finite proper time. Moreover, the amount ofmore » energy that can be radiated must be less than half of the total initial energy (if the particle starts at rest at infinity) before the shell becomes a null shell and cannot radiate any more without becoming tachyonic. Here, we conclude that for any gravitational collapsing process within Einstein gravity and semiclassical quantum field theory, the formation of the apparent horizon is inevitable. Pre-Hawking radiation is therefore not a valid solution to the information paradox.« less

Pre-Hawking radiation cannot prevent the formation of apparent horizon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Pisin; Unruh, William G.; Wu, Chih-Hung

As an attempt to solve the black hole information loss paradox, recently there has been the suggestion that, due to semiclassical effects, a pre-Hawking radiation must exist during the gravitational collapse of matter, which in turn prevents the apparent horizon from forming. Assuming the pre-Hawking radiation does exist, here we argue the opposite. First we note that the stress energy tensor near the horizon for the pre-Hawking radiation is far too small to do anything to the motion of a collapsing shell. Thus the shell will always cross the apparent horizon within a finite proper time. Moreover, the amount ofmore » energy that can be radiated must be less than half of the total initial energy (if the particle starts at rest at infinity) before the shell becomes a null shell and cannot radiate any more without becoming tachyonic. Here, we conclude that for any gravitational collapsing process within Einstein gravity and semiclassical quantum field theory, the formation of the apparent horizon is inevitable. Pre-Hawking radiation is therefore not a valid solution to the information paradox.« less

Directed current in the Holstein system.

PubMed

Hennig, D; Burbanks, A D; Osbaldestin, A H

2011-03-01

We propose a mechanism to rectify charge transport in the semiclassical Holstein model. It is shown that localized initial conditions associated with a polaron solution, in conjunction with static electron on-site potential not having inversion symmetry, constitute minimal prerequisites for the emergence of a directed current in the underlying periodic lattice system. In particular, we demonstrate that for unbiased spatially localized initial conditions (constituted by kicked static polaron states), violation of parity prevents the existence of pairs of counterpropagating trajectories, thus allowing for a directed current despite the time reversibility of the equations of motion. Nevertheless, propagating polaron solutions associated with sets of unbiased localized initial conditions which eventually leave the region of localized initial conditions do not exhibit time reversibility. Since the initial conditions belonging to the corresponding counterpropagating, current-compensating polaron solutions are not contained in the set, this gives rise to the emergence of a current. Occurrence of long-range coherent charge transport is demonstrated.

Reliable semiclassical computations in QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dine, Michael; Department of Physics, Stanford University Stanford, California 94305-4060; Festuccia, Guido

We revisit the question of whether or not one can perform reliable semiclassical QCD computations at zero temperature. We study correlation functions with no perturbative contributions, and organize the problem by means of the operator product expansion, establishing a precise criterion for the validity of a semiclassical calculation. For N{sub f}>N, a systematic computation is possible; for N{sub f}

Reply to ``Comment on `Quantum time-of-flight distribution for cold trapped atoms' ''

NASA Astrophysics Data System (ADS)

Ali, Md. Manirul; Home, Dipankar; Majumdar, A. S.; Pan, Alok K.

2008-02-01

In their comment Gomes [Phys. Rev. A 77, 026101 (2008)] have questioned the possibility of empirically testable differences existing between the semiclassical time of flight distribution for cold trapped atoms and a quantum distribution discussed by us recently [Ali , Phys. Rev. A 75, 042110 (2007).]. We argue that their criticism is based on a semiclassical treatment having restricted applicability for a particular trapping potential. Their claim does not preclude, in general, the possibility of differences between the semiclassical calculations and fully quantum results for the arrival time distribution of freely falling atoms.

Semiclassical limit of the focusing NLS: Whitham equations and the Riemann-Hilbert Problem approach

NASA Astrophysics Data System (ADS)

Tovbis, Alexander; El, Gennady A.

2016-10-01

The main goal of this paper is to put together: a) the Whitham theory applicable to slowly modulated N-phase nonlinear wave solutions to the focusing nonlinear Schrödinger (fNLS) equation, and b) the Riemann-Hilbert Problem approach to particular solutions of the fNLS in the semiclassical (small dispersion) limit that develop slowly modulated N-phase nonlinear wave in the process of evolution. Both approaches have their own merits and limitations. Understanding of the interrelations between them could prove beneficial for a broad range of problems involving the semiclassical fNLS.

Reply to 'Comment on 'Quantum time-of-flight distribution for cold trapped atoms''

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ali, Md. Manirul; Home, Dipankar; Pan, Alok K.

2008-02-15

In their comment Gomes et al. [Phys. Rev. A 77, 026101 (2008)] have questioned the possibility of empirically testable differences existing between the semiclassical time of flight distribution for cold trapped atoms and a quantum distribution discussed by us recently [Ali et al., Phys. Rev. A 75, 042110 (2007).]. We argue that their criticism is based on a semiclassical treatment having restricted applicability for a particular trapping potential. Their claim does not preclude, in general, the possibility of differences between the semiclassical calculations and fully quantum results for the arrival time distribution of freely falling atoms.

Do semiclassical zero temperature black holes exist?

PubMed

Anderson, P R; Hiscock, W A; Taylor, B E

2000-09-18

The semiclassical Einstein equations are solved to first order in epsilon = Planck's over 2pi/M2 for the case of a Reissner-Nordström black hole perturbed by the vacuum stress energy of quantized free fields. Massless and massive fields of spin 0, 1/2, and 1 are considered. We show that in all physically realistic cases, macroscopic zero temperature black hole solutions do not exist. Any static zero temperature semiclassical black hole solutions must then be microscopic and isolated in the space of solutions; they do not join smoothly onto the classical extreme Reissner-Nordström solution as epsilon-->0.

Semiclassical propagator of the Wigner function.

PubMed

Dittrich, Thomas; Viviescas, Carlos; Sandoval, Luis

2006-02-24

Propagation of the Wigner function is studied on two levels of semiclassical propagation: one based on the Van Vleck propagator, the other on phase-space path integration. Leading quantum corrections to the classical Liouville propagator take the form of a time-dependent quantum spot. Its oscillatory structure depends on whether the underlying classical flow is elliptic or hyperbolic. It can be interpreted as the result of interference of a pair of classical trajectories, indicating how quantum coherences are to be propagated semiclassically in phase space. The phase-space path-integral approach allows for a finer resolution of the quantum spot in terms of Airy functions.

Wentzel-Kramers-Brillouin method in the Bargmann representation. [of quantum mechanics

NASA Technical Reports Server (NTRS)

Voros, A.

1989-01-01

It is demonstrated that the Bargmann representation of quantum mechanics is ideally suited for semiclassical analysis, using as an example the WKB method applied to the bound-state problem in a single well of one degree of freedom. For the harmonic oscillator, this WKB method trivially gives the exact eigenfunctions in addition to the exact eigenvalues. For an anharmonic well, a self-consistent variational choice of the representation greatly improves the accuracy of the semiclassical ground state. Also, a simple change of scale illuminates the relationship of semiclassical versus linear perturbative expansions, allowing a variety of multidimensional extensions.

Semiclassical description of resonance-assisted tunneling in one-dimensional integrable models

NASA Astrophysics Data System (ADS)

Le Deunff, Jérémy; Mouchet, Amaury; Schlagheck, Peter

2013-10-01

Resonance-assisted tunneling is investigated within the framework of one-dimensional integrable systems. We present a systematic recipe, based on Hamiltonian normal forms, to construct one-dimensional integrable models that exhibit resonance island chain structures with accurately controlled sizes and positions of the islands. Using complex classical trajectories that evolve along suitably defined paths in the complex time domain, we construct a semiclassical theory of the resonance-assisted tunneling process. This semiclassical approach yields a compact analytical expression for tunnelling-induced level splittings which is found to be in very good agreement with the exact splittings obtained through numerical diagonalization.

Semiclassical excited-state signatures of quantum phase transitions in spin chains with variable-range interactions

NASA Astrophysics Data System (ADS)

Gessner, Manuel; Bastidas, Victor Manuel; Brandes, Tobias; Buchleitner, Andreas

2016-04-01

We study the excitation spectrum of a family of transverse-field spin chain models with variable interaction range and arbitrary spin S , which in the case of S =1 /2 interpolates between the Lipkin-Meshkov-Glick and the Ising model. For any finite number N of spins, a semiclassical energy manifold is derived in the large-S limit employing bosonization methods, and its geometry is shown to determine not only the leading-order term but also the higher-order quantum fluctuations. Based on a multiconfigurational mean-field ansatz, we obtain the semiclassical backbone of the quantum spectrum through the extremal points of a series of one-dimensional energy landscapes—each one exhibiting a bifurcation when the external magnetic field drops below a threshold value. The obtained spectra become exact in the limit of vanishing or very strong external, transverse magnetic fields. Further analysis of the higher-order corrections in 1 /√{2 S } enables us to analytically study the dispersion relations of spin-wave excitations around the semiclassical energy levels. Within the same model, we are able to investigate quantum bifurcations, which occur in the semiclassical (S ≫1 ) limit, and quantum phase transitions, which are observed in the thermodynamic (N →∞ ) limit.

Universal functions of nuclear proximity potential for Skyrme nucleus-nucleus interaction in a semiclassical approach

NASA Astrophysics Data System (ADS)

Gupta, Raj K.; Singh, Dalip; Kumar, Raj; Greiner, Walter

2009-07-01

The universal function of the nuclear proximity potential is obtained for the Skyrme nucleus-nucleus interaction in the semiclassical extended Thomas-Fermi (ETF) approach. This is obtained as a sum of the spin-orbit-density-independent and spin-orbit-density-dependent parts of the Hamiltonian density, since the two terms behave differently, the spin-orbit-density-independent part mainly attractive and the spin-orbit-density-dependent part mainly repulsive. The semiclassical expansions of kinetic energy density and spin-orbit density are allowed up to second order, and the two-parameter Fermi density, with its parameters fitted to experiments, is used for the nuclear density. The universal functions or the resulting nuclear proximity potential reproduce the 'exact' Skyrme nucleus-nucleus interaction potential in the semiclassical approach, within less than ~1 MeV of difference, both at the maximum attraction and in the surface region. An application of the resulting interaction potential to fusion excitation functions shows clearly that the parameterized universal functions of nuclear proximity potential substitute completely the 'exact' potential in the Skyrme energy density formalism based on the semiclassical ETF method, including also the modifications of interaction barriers at sub-barrier energies in terms of modifying the constants of the universal functions.

An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions.

PubMed

Cendagorta, Joseph R; Bačić, Zlatko; Tuckerman, Mark E

2018-03-14

We introduce a scheme for approximating quantum time correlation functions numerically within the Feynman path integral formulation. Starting with the symmetrized version of the correlation function expressed as a discretized path integral, we introduce a change of integration variables often used in the derivation of trajectory-based semiclassical methods. In particular, we transform to sum and difference variables between forward and backward complex-time propagation paths. Once the transformation is performed, the potential energy is expanded in powers of the difference variables, which allows us to perform the integrals over these variables analytically. The manner in which this procedure is carried out results in an open-chain path integral (in the remaining sum variables) with a modified potential that is evaluated using imaginary-time path-integral sampling rather than requiring the generation of a large ensemble of trajectories. Consequently, any number of path integral sampling schemes can be employed to compute the remaining path integral, including Monte Carlo, path-integral molecular dynamics, or enhanced path-integral molecular dynamics. We believe that this approach constitutes a different perspective in semiclassical-type approximations to quantum time correlation functions. Importantly, we argue that our approximation can be systematically improved within a cumulant expansion formalism. We test this approximation on a set of one-dimensional problems that are commonly used to benchmark approximate quantum dynamical schemes. We show that the method is at least as accurate as the popular ring-polymer molecular dynamics technique and linearized semiclassical initial value representation for correlation functions of linear operators in most of these examples and improves the accuracy of correlation functions of nonlinear operators.

An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions

NASA Astrophysics Data System (ADS)

Cendagorta, Joseph R.; Bačić, Zlatko; Tuckerman, Mark E.

2018-03-01

We introduce a scheme for approximating quantum time correlation functions numerically within the Feynman path integral formulation. Starting with the symmetrized version of the correlation function expressed as a discretized path integral, we introduce a change of integration variables often used in the derivation of trajectory-based semiclassical methods. In particular, we transform to sum and difference variables between forward and backward complex-time propagation paths. Once the transformation is performed, the potential energy is expanded in powers of the difference variables, which allows us to perform the integrals over these variables analytically. The manner in which this procedure is carried out results in an open-chain path integral (in the remaining sum variables) with a modified potential that is evaluated using imaginary-time path-integral sampling rather than requiring the generation of a large ensemble of trajectories. Consequently, any number of path integral sampling schemes can be employed to compute the remaining path integral, including Monte Carlo, path-integral molecular dynamics, or enhanced path-integral molecular dynamics. We believe that this approach constitutes a different perspective in semiclassical-type approximations to quantum time correlation functions. Importantly, we argue that our approximation can be systematically improved within a cumulant expansion formalism. We test this approximation on a set of one-dimensional problems that are commonly used to benchmark approximate quantum dynamical schemes. We show that the method is at least as accurate as the popular ring-polymer molecular dynamics technique and linearized semiclassical initial value representation for correlation functions of linear operators in most of these examples and improves the accuracy of correlation functions of nonlinear operators.

On the late-time behavior of Virasoro blocks and a classification of semiclassical saddles

DOE PAGES

Fitzpatrick, A. Liam; Kaplan, Jared

2017-04-12

Recent work has demonstrated that black hole thermodynamics and information loss/restoration in AdS 3/CFT 2 can be derived almost entirely from the behavior of the Virasoro conformal blocks at large central charge, with relatively little dependence on the precise details of the CFT spectrum or OPE coefficients. Here, we elaborate on the non-perturbative behavior of Virasoro blocks by classifying all ‘saddles’ that can contribute for arbitrary values of external and internal operator dimensions in the semiclassical large central charge limit. The leading saddles, which determine the naive semiclassical behavior of the Virasoro blocks, all decay exponentially at late times, andmore » at a rate that is independent of internal operator dimensions. Consequently, the semiclassical contribution of a finite number of high-energy states cannot resolve a well-known version of the information loss problem in AdS 3. Furthermore, we identify two infinite classes of sub-leading saddles, and one of these classes does not decay at late times.« less

On the late-time behavior of Virasoro blocks and a classification of semiclassical saddles

NASA Astrophysics Data System (ADS)

Fitzpatrick, A. Liam; Kaplan, Jared

2017-04-01

Recent work has demonstrated that black hole thermodynamics and information loss/restoration in AdS3/CFT2 can be derived almost entirely from the behavior of the Virasoro conformal blocks at large central charge, with relatively little dependence on the precise details of the CFT spectrum or OPE coefficients. Here, we elaborate on the non-perturbative behavior of Virasoro blocks by classifying all `saddles' that can contribute for arbitrary values of external and internal operator dimensions in the semiclassical large central charge limit. The leading saddles, which determine the naive semiclassical behavior of the Virasoro blocks, all decay exponentially at late times, and at a rate that is independent of internal operator dimensions. Consequently, the semiclassical contribution of a finite number of high-energy states cannot resolve a well-known version of the information loss problem in AdS3. However, we identify two infinite classes of sub-leading saddles, and one of these classes does not decay at late times.

Frozen Gaussian approximation based domain decomposition methods for the linear Schrödinger equation beyond the semi-classical regime

NASA Astrophysics Data System (ADS)

Lorin, E.; Yang, X.; Antoine, X.

2016-06-01

The paper is devoted to develop efficient domain decomposition methods for the linear Schrödinger equation beyond the semiclassical regime, which does not carry a small enough rescaled Planck constant for asymptotic methods (e.g. geometric optics) to produce a good accuracy, but which is too computationally expensive if direct methods (e.g. finite difference) are applied. This belongs to the category of computing middle-frequency wave propagation, where neither asymptotic nor direct methods can be directly used with both efficiency and accuracy. Motivated by recent works of the authors on absorbing boundary conditions (Antoine et al. (2014) [13] and Yang and Zhang (2014) [43]), we introduce Semiclassical Schwarz Waveform Relaxation methods (SSWR), which are seamless integrations of semiclassical approximation to Schwarz Waveform Relaxation methods. Two versions are proposed respectively based on Herman-Kluk propagation and geometric optics, and we prove the convergence and provide numerical evidence of efficiency and accuracy of these methods.

Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation.

PubMed

Liu, Jian; Miller, William H

2007-06-21

It is shown how quantum mechanical time correlation functions [defined, e.g., in Eq. (1.1)] can be expressed, without approximation, in the same form as the linearized approximation of the semiclassical initial value representation (LSC-IVR), or classical Wigner model, for the correlation function [cf. Eq. (2.1)], i.e., as a phase space average (over initial conditions for trajectories) of the Wigner functions corresponding to the two operators. The difference is that the trajectories involved in the LSC-IVR evolve classically, i.e., according to the classical equations of motion, while in the exact theory they evolve according to generalized equations of motion that are derived here. Approximations to the exact equations of motion are then introduced to achieve practical methods that are applicable to complex (i.e., large) molecular systems. Four such methods are proposed in the paper--the full Wigner dynamics (full WD) and the second order WD based on "Wigner trajectories" [H. W. Lee and M. D. Scully, J. Chem. Phys. 77, 4604 (1982)] and the full Donoso-Martens dynamics (full DMD) and the second order DMD based on "Donoso-Martens trajectories" [A. Donoso and C. C. Martens, Phys. Rev. Lett. 8722, 223202 (2001)]--all of which can be viewed as generalizations of the original LSC-IVR method. Numerical tests of the four versions of this new approach are made for two anharmonic model problems, and for each the momentum autocorrelation function (i.e., operators linear in coordinate or momentum operators) and the force autocorrelation function (nonlinear operators) have been calculated. These four new approximate treatments are indeed seen to be significant improvements to the original LSC-IVR approximation.

Equilibration in one-dimensional quantum hydrodynamic systems

NASA Astrophysics Data System (ADS)

Sotiriadis, Spyros

2017-10-01

We study quench dynamics and equilibration in one-dimensional quantum hydrodynamics, which provides effective descriptions of the density and velocity fields in gapless quantum gases. We show that the information content of the large time steady state is inherently connected to the presence of ballistically moving localised excitations. When such excitations are present, the system retains memory of initial correlations up to infinite times, thus evading decoherence. We demonstrate this connection in the context of the Luttinger model, the simplest quantum hydrodynamic model, and in the quantum KdV equation. In the standard Luttinger model, memory of all initial correlations is preserved throughout the time evolution up to infinitely large times, as a result of the purely ballistic dynamics. However nonlinear dispersion or interactions, when separately present, lead to spreading and delocalisation that suppress the above effect by eliminating the memory of non-Gaussian correlations. We show that, for any initial state that satisfies sufficient clustering of correlations, the steady state is Gaussian in terms of the bosonised or fermionised fields in the dispersive or interacting case respectively. On the other hand, when dispersion and interaction are simultaneously present, a semiclassical approximation suggests that localisation is restored as the two effects compensate each other and solitary waves are formed. Solitary waves, or simply solitons, are experimentally observed in quantum gases and theoretically predicted based on semiclassical approaches, but the question of their stability at the quantum level remains to a large extent an open problem. We give a general overview on the subject and discuss the relevance of our findings to general out of equilibrium problems. Dedicated to John Cardy on the occasion of his 70th birthday.

Remnants of semiclassical bistability in the few-photon regime of cavity QED.

PubMed

Kerckhoff, Joseph; Armen, Michael A; Mabuchi, Hideo

2011-11-21

Broadband homodyne detection of the light transmitted by a Fabry-Perot cavity containing a strongly-coupled (133)Cs atom is used to probe the dynamic optical response in a regime where semiclassical theory predicts bistability but strong quantum corrections should apply. While quantum fluctuations destabilize true equilibrium bistability, our observations confirm the existence of metastable states with finite lifetimes and a hysteretic response is apparent when the optical drive is modulated on comparable timescales. Our experiment elucidates remnant semiclassical behavior in the attojoule (~10 photon) regime of single-atom cavity QED, of potential significance for ultra-low power photonic signal processing. © 2011 Optical Society of America

The symmetric = ω -semi-classical orthogonal polynomials of class one

NASA Astrophysics Data System (ADS)

Maroni, P.; Mejri, M.

2008-12-01

We give the system of Laguerre-Freud equations associated with the = ω -semi-classical functionals of class one, where = ω is the divided difference operator. This system is solved in the symmetric case. There are essentially two canonical cases. The corresponding integral representations are given.

Semiclassical geometry of integrable systems

NASA Astrophysics Data System (ADS)

Reshetikhin, Nicolai

2018-04-01

The main result of this paper is a formula for the scalar product of semiclassical eigenvectors of two integrable systems on the same symplectic manifold. An important application of this formula is the Ponzano–Regge type of asymptotic of Racah–Wigner coefficients. Dedicated to the memory of P P Kulish.

Instanton and noninstanton tunneling in periodically perturbed barriers: semiclassical and quantum interpretations.

PubMed

Takahashi, Kin'ya; Ikeda, Kensuke S

2012-11-01

In multidimensional barrier tunneling, there exist two different types of tunneling mechanisms, instanton-type tunneling and noninstanton tunneling. In this paper we investigate transitions between the two tunneling mechanisms from the semiclassical and quantum viewpoints taking two simple models: a periodically perturbed Eckart barrier for the semiclassical analysis and a periodically perturbed rectangular barrier for the quantum analysis. As a result, similar transitions are observed with change of the perturbation frequency ω for both systems, and we obtain a comprehensive scenario from both semiclassical and quantum viewpoints for them. In the middle range of ω, in which the plateau spectrum is observed, noninstanton tunneling dominates the tunneling process, and the tunneling amplitude takes the maximum value. Noninstanton tunneling explained by stable-unstable manifold guided tunneling (SUMGT) from the semiclassical viewpoint is interpreted as multiphoton-assisted tunneling from the quantum viewpoint. However, in the limit ω→0, instanton-type tunneling takes the place of noninstanton tunneling, and the tunneling amplitude converges on a constant value depending on the perturbation strength. The spectrum localized around the input energy is observed, and there is a scaling law with respect to the width of the spectrum envelope, i.e., the width ∝ℏω. In the limit ω→∞, the tunneling amplitude converges on that of the unperturbed system, i.e., the instanton of the unperturbed system.

A semi-classical approach to the calculation of highly excited rotational energies for asymmetric-top molecules

PubMed Central

Schmiedt, Hanno; Schlemmer, Stephan; Yurchenko, Sergey N.; Yachmenev, Andrey

2017-01-01

We report a new semi-classical method to compute highly excited rotational energy levels of an asymmetric-top molecule. The method forgoes the idea of a full quantum mechanical treatment of the ro-vibrational motion of the molecule. Instead, it employs a semi-classical Green's function approach to describe the rotational motion, while retaining a quantum mechanical description of the vibrations. Similar approaches have existed for some time, but the method proposed here has two novel features. First, inspired by the path integral method, periodic orbits in the phase space and tunneling paths are naturally obtained by means of molecular symmetry analysis. Second, the rigorous variational method is employed for the first time to describe the molecular vibrations. In addition, we present a new robust approach to generating rotational energy surfaces for vibrationally excited states; this is done in a fully quantum-mechanical, variational manner. The semi-classical approach of the present work is applied to calculating the energies of very highly excited rotational states and it reduces dramatically the computing time as well as the storage and memory requirements when compared to the fullly quantum-mechanical variational approach. Test calculations for excited states of SO2 yield semi-classical energies in very good agreement with the available experimental data and the results of fully quantum-mechanical calculations. PMID:28000807

Laguerre-Freud Equations for the Recurrence Coefficients of Some Discrete Semi-Classical Orthogonal Polynomials of Class Two

NASA Astrophysics Data System (ADS)

Hounga, C.; Hounkonnou, M. N.; Ronveaux, A.

2006-10-01

In this paper, we give Laguerre-Freud equations for the recurrence coefficients of discrete semi-classical orthogonal polynomials of class two, when the polynomials in the Pearson equation are of the same degree. The case of generalized Charlier polynomials is also presented.

The recurrence coefficients of semi-classical Laguerre polynomials and the fourth Painlevé equation

NASA Astrophysics Data System (ADS)

Filipuk, Galina; Van Assche, Walter; Zhang, Lun

2012-05-01

We show that the coefficients of the three-term recurrence relation for orthogonal polynomials with respect to a semi-classical extension of the Laguerre weight satisfy the fourth Painlevé equation when viewed as functions of one of the parameters in the weight. We compare different approaches to derive this result, namely, the ladder operators approach, the isomonodromy deformations approach and combining the Toda system for the recurrence coefficients with a discrete equation. We also discuss a relation between the recurrence coefficients for the Freud weight and the semi-classical Laguerre weight and show how it arises from the Bäcklund transformation of the fourth Painlevé equation.

Influence of semiclassical plasma on the energy levels and radiative transitions in highly charged ions★

NASA Astrophysics Data System (ADS)

Hu, Hong-Wei; Chen, Zhan-Bin; Chen, Wen-Cong; Liu, Xiao-Bin; Fu, Nian; Wang, Kai

2017-11-01

Considering the quantum effects of diffraction and the collective screening effects, the potential of test charge in semiclassical plasmas is derived. It is generalized exponential screened Coulomb potential. Using the Ritz variational method incorporating this potential, the effects of semiclassical plasma on the energy levels and radiative transitions are investigated systematically, taking highly charged H-like ion as an example. The Debye plasma model is also employed for comparison purposes. Comparisons and analysis are made between these two sets of results and the differences are discussed. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

Time-dependent variational approach in terms of squeezed coherent states: Implication to semi-classical approximation

NASA Technical Reports Server (NTRS)

Tsue, Yasuhiko

1994-01-01

A general framework for time-dependent variational approach in terms of squeezed coherent states is constructed with the aim of describing quantal systems by means of classical mechanics including higher order quantal effects with the aid of canonicity conditions developed in the time-dependent Hartree-Fock theory. The Maslov phase occurring in a semi-classical quantization rule is investigated in this framework. In the limit of a semi-classical approximation in this approach, it is definitely shown that the Maslov phase has a geometric nature analogous to the Berry phase. It is also indicated that this squeezed coherent state approach is a possible way to go beyond the usual WKB approximation.

Quantum propagation across cosmological singularities

NASA Astrophysics Data System (ADS)

Gielen, Steffen; Turok, Neil

2017-05-01

The initial singularity is the most troubling feature of the standard cosmology, which quantum effects are hoped to resolve. In this paper, we study quantum cosmology with conformal (Weyl) invariant matter. We show that it is natural to extend the scale factor to negative values, allowing a large, collapsing universe to evolve across a quantum "bounce" into an expanding universe like ours. We compute the Feynman propagator for Friedmann-Robertson-Walker backgrounds exactly, identifying curious pathologies in the case of curved (open or closed) universes. We then include anisotropies, fixing the operator ordering of the quantum Hamiltonian by imposing covariance under field redefinitions and again finding exact solutions. We show how complex classical solutions allow one to circumvent the singularity while maintaining the validity of the semiclassical approximation. The simplest isotropic universes sit on a critical boundary, beyond which there is qualitatively different behavior, with potential for instability. Additional scalars improve the theory's stability. Finally, we study the semiclassical propagation of inhomogeneous perturbations about the flat, isotropic case, at linear and nonlinear order, showing that, at least at this level, there is no particle production across the bounce. These results form the basis for a promising new approach to quantum cosmology and the resolution of the big bang singularity.

Diffraction catastrophes and semiclassical quantum mechanics for Veselago lensing in graphene

NASA Astrophysics Data System (ADS)

Reijnders, K. J. A.; Katsnelson, M. I.

2017-07-01

We study the effect of trigonal warping on the focusing of electrons by n-p junctions in graphene. We find that perfect focusing, which was predicted for massless Dirac fermions, is only preserved for one specific lattice orientation. In the general case, trigonal warping leads to the formation of cusp caustics, with a different position of the focus for graphene's two valleys. We develop a semiclassical theory to compute these positions and find very good agreement with tight-binding simulations. Considering the transmission as a function of potential strength, we find that trigonal warping splits the single Dirac peak into two distinct peaks, leading to valley polarization. We obtain the transmission curves from tight-binding simulations and find that they are in very good agreement with the results of a billiard model that incorporates trigonal warping. Furthermore, the positions of the transmission maxima and the scaling of the peak width are accurately predicted by our semiclassical theory. Our semiclassical analysis can easily be carried over to other Dirac materials, which generally have different Fermi surface distortions.

Exact transition probabilities in a 6-state Landau–Zener system with path interference

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sinitsyn, Nikolai A.

2015-04-23

In this paper, we identify a nontrivial multistate Landau–Zener (LZ) model for which transition probabilities between any pair of diabatic states can be determined analytically and exactly. In the semiclassical picture, this model features the possibility of interference of different trajectories that connect the same initial and final states. Hence, transition probabilities are generally not described by the incoherent successive application of the LZ formula. Finally, we discuss reasons for integrability of this system and provide numerical tests of the suggested expression for the transition probability matrix.

Decoherence can relax cosmic acceleration: an example

DOE Office of Scientific and Technical Information (OSTI.GOV)

Markkanen, Tommi, E-mail: tommi.markkanen@kcl.ac.uk

We investigate back reaction in de Sitter space in an approach where only states that are observationally accessible are included in the density matrix. Using the Bunch-Davies vacuum as the initial condition we find for a conformal scalar field and a cosmological constant that tracing over the unobservable states beyond the cosmological horizon leads to a thermal spectrum of particles and that such a configuration is unstable under semi-classical back reaction. It is concluded that this prescription results in an instability of de Sitter space with a gradually increasing horizon size.

Quantum Stark broadening of Ar XV lines. Strong collision and quadrupolar potential contributions

NASA Astrophysics Data System (ADS)

Elabidi, H.; Sahal-Bréchot, S.; Dimitrijević, M. S.

2014-10-01

We present in this paper electron impact broadening for six Ar XV lines using our quantum mechanical formalism and the semiclassical perturbation one. Additionally, our calculations of the corresponding atomic structure data (energy levels and oscillator strengths) and collision strengths are given as well. The lines considered here are divided into two sets: a first set of four lines involving the ground level: 1s22s21S0- 1s22snp 1P1o where 2⩽n⩽5 and a second set of two lines involving excited levels: 1s22s2p 1P1o-1s22s3s 1S0 and 1s22s2p 3P0o-1s22s3s 3S1. An extensive comparison between the quantum and the semiclassical results was performed in order to analyze the reason for differences between quantum and semiclassical results up to the factor of two. It has been shown that the difference between the two results may be due to the evaluation of strong collision contributions by the semiclassical formalism. Except few semiclassical results, the present results are the first to be published. After the recent discovery of the far UV lines of Ar VII in the spectra of very hot central stars of planetary nebulae and white dwarfs, the present -and may be further- results can be used also for the corresponding future spectral analysis.

Semiclassical spectrum for BMN string in Sch 5 × S 5

NASA Astrophysics Data System (ADS)

Ouyang, Hao

2017-12-01

We investigate the algebraic curve for string in Sch 5 × S 5. We compute the semiclassical spectrum for BMN string in Sch 5 × S 5 from the algebraic curve. We compare our results with the anomalous dimensions in sl(2) sector of the null dipole deformation of N=4 superYang-Millstheory.

Semiclassical description of hyperfine interaction in calculating chemically induced dynamic nuclear polarization in weak magnetic fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Purtov, P.A.; Salikhov, K.M.

1987-09-01

Semiclassical HFI description is applicable to calculating the integral CIDNP effect in weak fields. The HFI has been calculated for radicals with sufficiently numerous magnetically equivalent nuclei (n greater than or equal to 5) in satisfactory agreement with CIDNP calculations based on quantum-mechanical description of radical-pair spin dynamics.

Semiclassical theory of electronically nonadiabatic transitions in molecular collision processes

NASA Technical Reports Server (NTRS)

Lam, K. S.; George, T. F.

1979-01-01

An introductory account of the semiclassical theory of the S-matrix for molecular collision processes is presented, with special emphasis on electronically nonadiabatic transitions. This theory is based on the incorporation of classical mechanics with quantum superposition, and in practice makes use of the analytic continuation of classical mechanics into the complex space of time domain. The relevant concepts of molecular scattering theory and related dynamical models are described and the formalism is developed and illustrated with simple examples - collinear collision of the A+BC type. The theory is then extended to include the effects of laser-induced nonadiabatic transitions. Two bound continuum processes collisional ionization and collision-induced emission also amenable to the same general semiclassical treatment are discussed.

Semiclassical Models for Virtual Antiparticle Pairs, the Unit of Charge e, and the QCD Coupling alpha(sub s)

NASA Technical Reports Server (NTRS)

Batchelor, David; Zukor, Dorothy (Technical Monitor)

2001-01-01

New semiclassical models of virtual antiparticle pairs are used to compute the pair lifetimes, and good agreement with the Heisenberg lifetimes from quantum field theory (QFT) is found. The modeling method applies to both the electromagnetic and color forces. Evaluation of the action integral of potential field fluctuation for each interaction potential yields approximately Planck's constant/2 for both electromagnetic and color fluctuations, in agreement with QFT. Thus each model is a quantized semiclassical representation for such virtual antiparticle pairs, to good approximation. When the results of the new models and QFT are combined, formulae for e and alpha(sub s)(q) are derived in terms of only Planck's constant and c.

Low-Dimensional Nanostructures and a Semiclassical Approach for Teaching Feynman's Sum-over-Paths Quantum Theory

ERIC Educational Resources Information Center

Onorato, P.

2011-01-01

An introduction to quantum mechanics based on the sum-over-paths (SOP) method originated by Richard P. Feynman and developed by E. F. Taylor and coworkers is presented. The Einstein-Brillouin-Keller (EBK) semiclassical quantization rules are obtained following the SOP approach for bounded systems, and a general approach to the calculation of…

A semiclassical study of laser-induced atomic fluorescence from Na2, K2 and NaK

NASA Technical Reports Server (NTRS)

Yuan, J.-M.; Bhattacharyya, D. K.; George, T. F.

1982-01-01

A semiclassical treatment of laser-induced atomic fluorescence for the alkali-dimer systems Na2, K2 and NaK is presented. The variation of the fluorescence intensity with the frequency of the exciting laser photon is studied and a comparison of theoretical results with a set of experimental data is presented.

Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches.

PubMed

Antipov, Sergey V; Bhattacharyya, Swarnendu; El Hage, Krystel; Xu, Zhen-Hao; Meuwly, Markus; Rothlisberger, Ursula; Vaníček, Jiří

2017-11-01

Several strategies for simulating the ultrafast dynamics of molecules induced by interactions with electromagnetic fields are presented. After a brief overview of the theory of molecule-field interaction, we present several representative examples of quantum, semiclassical, and classical approaches to describe the ultrafast molecular dynamics, including the multiconfiguration time-dependent Hartree method, Bohmian dynamics, local control theory, semiclassical thawed Gaussian approximation, phase averaging, dephasing representation, molecular mechanics with proton transfer, and multipolar force fields. In addition to the general overview, some focus is given to the description of nuclear quantum effects and to the direct dynamics, in which the ab initio energies and forces acting on the nuclei are evaluated on the fly. Several practical applications, performed within the framework of the Swiss National Center of Competence in Research "Molecular Ultrafast Science and Technology," are presented: These include Bohmian dynamics description of the collision of H with H 2 , local control theory applied to the photoinduced ultrafast intramolecular proton transfer, semiclassical evaluation of vibrationally resolved electronic absorption, emission, photoelectron, and time-resolved stimulated emission spectra, infrared spectroscopy of H-bonding systems, and multipolar force fields applications in the condensed phase.

Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches

PubMed Central

Antipov, Sergey V.; Bhattacharyya, Swarnendu; El Hage, Krystel; Xu, Zhen-Hao; Meuwly, Markus; Rothlisberger, Ursula; Vaníček, Jiří

2018-01-01

Several strategies for simulating the ultrafast dynamics of molecules induced by interactions with electromagnetic fields are presented. After a brief overview of the theory of molecule-field interaction, we present several representative examples of quantum, semiclassical, and classical approaches to describe the ultrafast molecular dynamics, including the multiconfiguration time-dependent Hartree method, Bohmian dynamics, local control theory, semiclassical thawed Gaussian approximation, phase averaging, dephasing representation, molecular mechanics with proton transfer, and multipolar force fields. In addition to the general overview, some focus is given to the description of nuclear quantum effects and to the direct dynamics, in which the ab initio energies and forces acting on the nuclei are evaluated on the fly. Several practical applications, performed within the framework of the Swiss National Center of Competence in Research “Molecular Ultrafast Science and Technology,” are presented: These include Bohmian dynamics description of the collision of H with H2, local control theory applied to the photoinduced ultrafast intramolecular proton transfer, semiclassical evaluation of vibrationally resolved electronic absorption, emission, photoelectron, and time-resolved stimulated emission spectra, infrared spectroscopy of H-bonding systems, and multipolar force fields applications in the condensed phase. PMID:29376107

Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo

DOE PAGES

White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; ...

2015-07-07

Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficientmore » as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In many cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.« less

Short distance modification of the quantum virial theorem

NASA Astrophysics Data System (ADS)

Zhao, Qin; Faizal, Mir; Zaz, Zaid

2017-07-01

In this letter, we will analyse the deformation of a semi-classical gravitational system from minimal measurable length scale. In the semi-classical approximation, the gravitational field will be analysed as a classical field, and the matter fields will be treated quantum mechanically. Thus, using this approximation, this system will be represented by a deformation of Schrödinger-Newton equation by the generalised uncertainty principle (GUP). We will analyse the effects of this GUP deformed Schrödinger-Newton equation on the behaviour of such a semi-classical gravitational system. As the quantum mechanical virial theorem can be obtained using the Schrödinger-Newton equation, a short distance modification of the Schrödinger-Newton equation will also result in a short distance modification of the quantum mechanical virial theorem.

No rescue for the no boundary proposal: Pointers to the future of quantum cosmology

NASA Astrophysics Data System (ADS)

Feldbrugge, Job; Lehners, Jean-Luc; Turok, Neil

2018-01-01

In recent work [J. Feldbrugge et al. Phys. Rev. D 95, 103508 (2017)., 10.1103/PhysRevD.95.103508 and J. Feldbrugge et al. Phys. Rev. Lett. 119, 171301 (2017)., 10.1103/PhysRevLett.119.171301], we introduced Picard-Lefschetz theory as a tool for defining the Lorentzian path integral for quantum gravity in a systematic semiclassical expansion. This formulation avoids several pitfalls occurring in the Euclidean approach. Our method provides, in particular, a more precise formulation of the Hartle-Hawking no boundary proposal, as a sum over real Lorentzian four-geometries interpolating between an initial three-geometry of zero size, i.e., a point, and a final three-geometry. With this definition, we calculated the no boundary amplitude for a closed universe with a cosmological constant, assuming cosmological symmetry for the background and including linear perturbations. We found the opposite semiclassical exponent to that obtained by Hartle and Hawking for the creation of a de Sitter spacetime "from nothing." Furthermore, we found the linearized perturbations to be governed by an inverse Gaussian distribution, meaning they are unsuppressed and out of control. Recently, Diaz Dorronsoro et al. [Phys. Rev. D 96, 043505 (2017), 10.1103/PhysRevD.96.043505] followed our methods but attempted to rescue the no boundary proposal by integrating the lapse over a different, intrinsically complex contour. Here, we show that, in addition to the desired Hartle-Hawking saddle point contribution, their contour yields extra, nonperturbative corrections which again render the perturbations unsuppressed. We prove there is no choice of complex contour for the lapse which avoids this problem. We extend our discussion to include backreaction in the leading semiclassical approximation, fully nonlinearly for the lowest tensor harmonic and to second order for all higher modes. Implications for quantum de Sitter spacetime and for cosmic inflation are briefly discussed.

2D Quantum Simulation of MOSFET Using the Non Equilibrium Green's Function Method

NASA Technical Reports Server (NTRS)

Svizhenko, Alexel; Anantram, M. P.; Govindan, T. R.; Yan, Jerry (Technical Monitor)

2000-01-01

The objectives this viewgraph presentation summarizes include: (1) the development of a quantum mechanical simulator for ultra short channel MOSFET simulation, including theory, physical approximations, and computer code; (2) explore physics that is not accessible by semiclassical methods; (3) benchmarking of semiclassical and classical methods; and (4) study other two-dimensional devices and molecular structure, from discretized Hamiltonian to tight-binding Hamiltonian.

Critical energy flux and mass in solvable theories of 2D dilaton gravity

NASA Astrophysics Data System (ADS)

Fabbri, A.; Navarro-Salas, J.

1998-10-01

In this paper we address the issue of determining the semiclassical threshold for black hole formation in the context of a one-parameter family of theories which continuously interpolates between the RST and BPP models. We find that the results depend significantly on the initial static configuration of the spacetime geometry before the influx of matter is turned on. In some cases there is a critical energy density, given by the Hawking rate of evaporation, as well as a critical mass mcr (eventually vanishing). In others there is neither mcr nor a critical flux.

Universality of the Peregrine Soliton in the Focusing Dynamics of the Cubic Nonlinear Schrödinger Equation

NASA Astrophysics Data System (ADS)

Tikan, Alexey; Billet, Cyril; El, Gennady; Tovbis, Alexander; Bertola, Marco; Sylvestre, Thibaut; Gustave, Francois; Randoux, Stephane; Genty, Goëry; Suret, Pierre; Dudley, John M.

2017-07-01

We report experimental confirmation of the universal emergence of the Peregrine soliton predicted to occur during pulse propagation in the semiclassical limit of the focusing nonlinear Schrödinger equation. Using an optical fiber based system, measurements of temporal focusing of high power pulses reveal both intensity and phase signatures of the Peregrine soliton during the initial nonlinear evolution stage. Experimental and numerical results are in very good agreement, and show that the universal mechanism that yields the Peregrine soliton structure is highly robust and can be observed over a broad range of parameters.

Temporal Order in Periodically Driven Spins in Star-Shaped Clusters

NASA Astrophysics Data System (ADS)

Pal, Soham; Nishad, Naveen; Mahesh, T. S.; Sreejith, G. J.

2018-05-01

We experimentally study the response of star-shaped clusters of initially unentangled N =4 , 10, and 37 nuclear spin-1 /2 moments to an inexact π -pulse sequence and show that an Ising coupling between the center and the satellite spins results in robust period-2 magnetization oscillations. The period is stable against bath effects, but the amplitude decays with a timescale that depends on the inexactness of the pulse. Simulations reveal a semiclassical picture in which the rigidity of the period is due to a randomizing effect of the Larmor precession under the magnetization of surrounding spins. The timescales with stable periodicity increase with net initial magnetization, even in the presence of perturbations, indicating a robust temporal ordered phase for large systems with finite magnetization per spin.

Schwinger effect in de Sitter space

NASA Astrophysics Data System (ADS)

Fröb, Markus B.; Garriga, Jaume; Kanno, Sugumi; Sasaki, Misao; Soda, Jiro; Tanaka, Takahiro; Vilenkin, Alexander

2014-04-01

We consider Schwinger pair production in 1+1 dimensional de Sitter space, filled with a constant electric field E. This can be thought of as a model for describing false vacuum decay beyond the semiclassical approximation, where pairs of a quantum field phi of mass m and charge e play the role of vacuum bubbles. We find that the adiabatic ``in" vacuum associated with the flat chart develops a space-like expectation value for the current J, which manifestly breaks the de Sitter invariance of the background fields. We derive a simple expression for J(E), showing that both ``upward" and ``downward" tunneling contribute to the build-up of the current. For heavy fields, with m2 gg eE,H2, the current is exponentially suppressed, in agreement with the results of semiclassical instanton methods. Here, H is the inverse de Sitter radius. On the other hand, light fields with m ll H lead to a phenomenon of infrared hyperconductivity, where a very small electric field mHlesssimeE ll H2 leads to a very large current J ~ H3/E. We also show that all Hadamard states for phi necessarily break de Sitter invariance. Finally, we comment on the role of initial conditions, and ``persistence of memory" effects.

Semiclassical theory of Landau levels and magnetic breakdown in topological metals

NASA Astrophysics Data System (ADS)

Alexandradinata, A.; Glazman, Leonid

2018-04-01

The Bohr-Sommerfeld quantization rule lies at the heart of the semiclassical theory of a Bloch electron in a magnetic field. This rule is predictive of Landau levels and de Haas-van Alphen oscillations for conventional metals, as well as for a host of topological metals which have emerged in the recent intercourse between band theory, crystalline symmetries, and topology. The essential ingredients in any quantization rule are connection formulas that match the semiclassical (WKB) wave function across regions of strong quantum fluctuations. Here, we propose (a) a multicomponent WKB wave function that describes transport within degenerate-band subspaces, and (b) the requisite connection formulas for saddle points and type-II Dirac points, where tunneling respectively occurs within the same band, and between distinct bands. (a) and (b) extend previous works by incorporating phase corrections that are subleading in powers of the field; these corrections include the geometric Berry phase, and account for the orbital magnetic moment and the Zeeman coupling. A comprehensive symmetry analysis is performed for such phase corrections occurring in closed orbits, which is applicable to solids in any (magnetic) space group. We have further formulated a graph-theoretic description of semiclassical orbits. This allows us to systematize the construction of quantization rules for a large class of closed orbits (with or without tunneling), as well as to formulate the notion of a topological invariant in semiclassical magnetotransport—as a quantity that is invariant under continuous deformations of the graph. Landau levels in the presence of tunneling are generically quasirandom, i.e., disordered on the scale of nearest-neighbor level spacings but having longer-ranged correlations; we develop a perturbative theory to determine Landau levels in such quasirandom spectra.

Semiclassical treatment of fusion and breakup processes of ^{6,8}He halo nuclei

NASA Astrophysics Data System (ADS)

Majeed, Fouad A.; Abdul-Hussien, Yousif A.

2016-06-01

A semiclassical approach has been used to study the effect of channel coupling on the calculations of the total fusion reaction cross section σ _{fus}, and the fusion barrier distribution D_{fus} for the systems 6He +^{238}U and 8He +^{197}Au. Since these systems invloves light exotic nuclei, breakup states channel play an important role that should be considered in the calculations. In semiclassical treatment, the relative motion between the projectile and target nuclei is approximated by a classical trajectory while the intrinsic dynamics is handled by time-dependent quantum mechanics. The calculations of the total fusion cross section σ _{fus}, and the fusion barrier distribution D_{fus} are compared with the full quantum mechanical calculations using the coupled-channels calculations with all order coupling using the computer code and with the available experimental data.

Semiclassical propagation: Hilbert space vs. Wigner representation

NASA Astrophysics Data System (ADS)

Gottwald, Fabian; Ivanov, Sergei D.

2018-03-01

A unified viewpoint on the van Vleck and Herman-Kluk propagators in Hilbert space and their recently developed counterparts in Wigner representation is presented. Based on this viewpoint, the Wigner Herman-Kluk propagator is conceptually the most general one. Nonetheless, the respective semiclassical expressions for expectation values in terms of the density matrix and the Wigner function are mathematically proven here to coincide. The only remaining difference is a mere technical flexibility of the Wigner version in choosing the Gaussians' width for the underlying coherent states beyond minimal uncertainty. This flexibility is investigated numerically on prototypical potentials and it turns out to provide neither qualitative nor quantitative improvements. Given the aforementioned generality, utilizing the Wigner representation for semiclassical propagation thus leads to the same performance as employing the respective most-developed (Hilbert-space) methods for the density matrix.

Stellar Equilibrium in Semiclassical Gravity.

PubMed

Carballo-Rubio, Raúl

2018-02-09

The phenomenon of quantum vacuum polarization in the presence of a gravitational field is well understood and is expected to have a physical reality, but studies of its backreaction on the dynamics of spacetime are practically nonexistent outside of the specific context of homogeneous cosmologies. Building on previous results of quantum field theory in curved spacetimes, in this Letter we first derive the semiclassical equations of stellar equilibrium in the s-wave Polyakov approximation. It is highlighted that incorporating the polarization of the quantum vacuum leads to a generalization of the classical Tolman-Oppenheimer-Volkoff equation. Despite the complexity of the resulting field equations, it is possible to find exact solutions. Aside from being the first known exact solutions that describe relativistic stars including the nonperturbative backreaction of semiclassical effects, these are identified as a nontrivial combination of the black star and gravastar proposals.

Modification of Schrödinger-Newton equation due to braneworld models with minimal length

NASA Astrophysics Data System (ADS)

Bhat, Anha; Dey, Sanjib; Faizal, Mir; Hou, Chenguang; Zhao, Qin

2017-07-01

We study the correction of the energy spectrum of a gravitational quantum well due to the combined effect of the braneworld model with infinite extra dimensions and generalized uncertainty principle. The correction terms arise from a natural deformation of a semiclassical theory of quantum gravity governed by the Schrödinger-Newton equation based on a minimal length framework. The two fold correction in the energy yields new values of the spectrum, which are closer to the values obtained in the GRANIT experiment. This raises the possibility that the combined theory of the semiclassical quantum gravity and the generalized uncertainty principle may provide an intermediate theory between the semiclassical and the full theory of quantum gravity. We also prepare a schematic experimental set-up which may guide to the understanding of the phenomena in the laboratory.

Firewall or smooth horizon?

NASA Astrophysics Data System (ADS)

Ori, Amos

2016-01-01

Almheiri, Marolf, Polchinski, and Sully pointed out that for a sufficiently old black hole (BH), the set of assumptions known as the complementarity postulates appears to be inconsistent with the assumption of local regularity at the horizon. They concluded that the horizon of an old BH is likely to be the locus of local irregularity, a "firewall". Here I point out that if one adopts a different assumption, namely that semiclassical physics holds throughout its anticipated domain of validity, then the inconsistency is avoided, and the horizon retains its regularity. In this alternative view-point, the vast portion of the original BH information remains trapped inside the BH throughout the semiclassical domain of evaporation, and possibly leaks out later on. This appears to be an inevitable outcome of semiclassical gravity (if assumed to apply throughout its anticipated domain of validity).

Semiclassical approaches to nuclear dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Magner, A. G., E-mail: magner@kinr.kiev.ua; Gorpinchenko, D. V.; Bartel, J.

The extended Gutzwiller trajectory approach is presented for the semiclassical description of nuclear collective dynamics, in line with the main topics of the fruitful activity of V.G. Solovjov. Within the Fermi-liquid droplet model, the leptodermous effective surface approximation was applied to calculations of energies, sum rules, and transition densities for the neutron–proton asymmetry of the isovector giant-dipole resonance and found to be in good agreement with the experimental data. By using the Strutinsky shell correction method, the semiclassical collective transport coefficients, such as nuclear inertia, friction, stiffness, and moments of inertia, can be derived beyond the quantum perturbation approximation ofmore » the response function theory and the cranking model. The averaged particle-number dependences of the low-lying collective vibrational states are described in good agreement with the basic experimental data, mainly due to the enhancement of the collective inertia as compared to its irrotational flow value. Shell components of the moment of inertia are derived in terms of the periodic-orbit free-energy shell corrections. A good agreement between the semiclassical extended Thomas–Fermi moments of inertia with shell corrections and the quantum results is obtained for different nuclear deformations and particle numbers. Shell effects are shown to be exponentially dampted out with increasing temperature in all the transport coefficients.« less

Increasing the efficiency and accuracy of time-resolved electronic spectra calculations with on-the-fly ab initio quantum dynamics methods

NASA Astrophysics Data System (ADS)

Vanicek, Jiri

2014-03-01

Rigorous quantum-mechanical calculations of coherent ultrafast electronic spectra remain difficult. I will present several approaches developed in our group that increase the efficiency and accuracy of such calculations: First, we justified the feasibility of evaluating time-resolved spectra of large systems by proving that the number of trajectories needed for convergence of the semiclassical dephasing representation/phase averaging is independent of dimensionality. Recently, we further accelerated this approximation with a cellular scheme employing inverse Weierstrass transform and optimal scaling of the cell size. The accuracy of potential energy surfaces was increased by combining the dephasing representation with accurate on-the-fly ab initio electronic structure calculations, including nonadiabatic and spin-orbit couplings. Finally, the inherent semiclassical approximation was removed in the exact quantum Gaussian dephasing representation, in which semiclassical trajectories are replaced by communicating frozen Gaussian basis functions evolving classically with an average Hamiltonian. Among other examples I will present an on-the-fly ab initio semiclassical dynamics calculation of the dispersed time-resolved stimulated emission spectrum of the 54-dimensional azulene. This research was supported by EPFL and by the Swiss National Science Foundation NCCR MUST (Molecular Ultrafast Science and Technology) and Grant No. 200021124936/1.

"Divide-and-conquer" semiclassical molecular dynamics: An application to water clusters

NASA Astrophysics Data System (ADS)

Di Liberto, Giovanni; Conte, Riccardo; Ceotto, Michele

2018-03-01

We present an investigation of vibrational features in water clusters performed by means of our recently established divide-and-conquer semiclassical approach [M. Ceotto, G. Di Liberto, and R. Conte, Phys. Rev. Lett. 119, 010401 (2017)]. This technique allows us to simulate quantum vibrational spectra of high-dimensional systems starting from full-dimensional classical trajectories and projection of the semiclassical propagator onto a set of lower dimensional subspaces. The potential energy surface employed is a many-body representation up to three-body terms, in which monomers and two-body interactions are described by the high level Wang-Huang-Braams-Bowman (WHBB) water potential, while, for three-body interactions, calculations adopt a fast permutationally invariant ab initio surface at the same level of theory of the WHBB 3-body potential. Applications range from the water dimer up to the water decamer, a system made of 84 vibrational degrees of freedom. Results are generally in agreement with previous variational estimates in the literature. This is particularly true for the bending and the high-frequency stretching motions, while estimates of modes strongly influenced by hydrogen bonding are red shifted, in a few instances even substantially, as a consequence of the dynamical and global picture provided by the semiclassical approach.

Regular-to-Chaotic Tunneling Rates: From the Quantum to the Semiclassical Regime

NASA Astrophysics Data System (ADS)

Löck, Steffen; Bäcker, Arnd; Ketzmerick, Roland; Schlagheck, Peter

2010-03-01

We derive a prediction of dynamical tunneling rates from regular to chaotic phase-space regions combining the direct regular-to-chaotic tunneling mechanism in the quantum regime with an improved resonance-assisted tunneling theory in the semiclassical regime. We give a qualitative recipe for identifying the relevance of nonlinear resonances in a given ℏ regime. For systems with one or multiple dominant resonances we find excellent agreement to numerics.

Quantum Bound to Chaos and the Semiclassical Limit

NASA Astrophysics Data System (ADS)

Kurchan, Jorge

2018-06-01

We discuss the quantum bound on chaos in the context of the free propagation of a particle in an arbitrarily curved surface at low temperatures. The semiclassical calculation of the Lyapunov exponent can be performed in much the same way as the corresponding one for the `Loschmidt echo'. The bound appears here as the impossibility to scatter a wave, by effect of the curvature, over characteristic lengths smaller than the deBroglie wavelength.

Magnon edge states in the hardcore- Bose-Hubbard model.

PubMed

Owerre, S A

2016-11-02

Quantum Monte Carlo (QMC) simulation has uncovered nonzero Berry curvature and bosonic edge states in the hardcore-Bose-Hubbard model on the gapped honeycomb lattice. The competition between the chemical potential and staggered onsite potential leads to an interesting quantum phase diagram comprising the superfluid phase, Mott insulator, and charge density wave insulator. In this paper, we present a semiclassical perspective of this system by mapping to a spin-1/2 quantum XY model. We give an explicit analytical origin of the quantum phase diagram, the Berry curvatures, and the edge states using semiclassical approximations. We find very good agreement between the semiclassical analyses and the QMC results. Our results show that the topological properties of the hardcore-Bose-Hubbard model are the same as those of magnon in the corresponding quantum spin system. Our results are applicable to systems of ultracold bosonic atoms trapped in honeycomb optical lattices.

Hadronic density of states from string theory.

PubMed

Pando Zayas, Leopoldo A; Vaman, Diana

2003-09-12

We present an exact calculation of the finite temperature partition function for the hadronic states corresponding to a Penrose-Güven limit of the Maldacena-Nùñez embedding of the N=1 super Yang-Mills (SYM) into string theory. It is established that the theory exhibits a Hagedorn density of states. We propose a semiclassical string approximation to the finite temperature partition function for confining gauge theories admitting a supergravity dual, by performing an expansion around classical solutions characterized by temporal windings. This semiclassical approximation reveals a hadronic energy density of states of a Hagedorn type, with the coefficient determined by the gauge theory string tension as expected for confining theories. We argue that our proposal captures primarily information about states of pure N=1 SYM theory, given that this semiclassical approximation does not entail a projection onto states of large U(1) charge.

Hawking radiation due to photon and gravitino tunneling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Majhi, Bibhas Ranjan, E-mail: bibhas@bose.res.i; Samanta, Saurav, E-mail: srvsmnt@gmail.co

2010-11-15

Applying the Hamilton-Jacobi method we investigate the tunneling of photon across the event horizon of a static spherically symmetric black hole. The necessity of the gauge condition on the photon field, to derive the semiclassical Hawking temperature, is explicitly shown. Also, the tunneling of photon and gravitino beyond this semiclassical approximation are presented separately. Quantum corrections of the action for both cases are found to be proportional to the semiclassical contribution. Modifications to the Hawking temperature and Bekenstein-Hawking area law are thereby obtained. Using this corrected temperature and Hawking's periodicity argument, the modified metric for the Schwarzschild black hole ismore » given. This corrected version of the metric, up to h order is equivalent to the metric obtained by including one loop back reaction effect. Finally, the coefficient of the leading order correction of entropy is shown to be related to the trace anomaly.« less

Implementation of the semiclassical quantum Fourier transform in a scalable system.

PubMed

Chiaverini, J; Britton, J; Leibfried, D; Knill, E; Barrett, M D; Blakestad, R B; Itano, W M; Jost, J D; Langer, C; Ozeri, R; Schaetz, T; Wineland, D J

2005-05-13

We report the implementation of the semiclassical quantum Fourier transform in a system of three beryllium ion qubits (two-level quantum systems) confined in a segmented multizone trap. The quantum Fourier transform is the crucial final step in Shor's algorithm, and it acts on a register of qubits to determine the periodicity of the quantum state's amplitudes. Because only probability amplitudes are required for this task, a more efficient semiclassical version can be used, for which only single-qubit operations conditioned on measurement outcomes are required. We apply the transform to several input states of different periodicities; the results enable the location of peaks corresponding to the original periods. This demonstration incorporates the key elements of a scalable ion-trap architecture, suggesting the future capability of applying the quantum Fourier transform to a large number of qubits as required for a useful quantum factoring algorithm.

The quantum holonomy-diffeomorphism algebra and quantum gravity

NASA Astrophysics Data System (ADS)

Aastrup, Johannes; Grimstrup, Jesper Møller

2016-03-01

We introduce the quantum holonomy-diffeomorphism ∗-algebra, which is generated by holonomy-diffeomorphisms on a three-dimensional manifold and translations on a space of SU(2)-connections. We show that this algebra encodes the canonical commutation relations of canonical quantum gravity formulated in terms of Ashtekar variables. Furthermore, we show that semiclassical states exist on the holonomy-diffeomorphism part of the algebra but that these states cannot be extended to the full algebra. Via a Dirac-type operator we derive a certain class of unbounded operators that act in the GNS construction of the semiclassical states. These unbounded operators are the type of operators, which we have previously shown to entail the spatial three-dimensional Dirac operator and Dirac-Hamiltonian in a semiclassical limit. Finally, we show that the structure of the Hamilton constraint emerges from a Yang-Mills-type operator over the space of SU(2)-connections.

Semiclassical magnetotransport in strongly spin-orbit coupled Rashba two-dimensional electron systems.

PubMed

Xiao, Cong; Li, Dingping

2016-06-15

Semiclassical magnetoelectric and magnetothermoelectric transport in strongly spin-orbit coupled Rashba two-dimensional electron systems is investigated. In the presence of a perpendicular classically weak magnetic field and short-range impurity scattering, we solve the linearized Boltzmann equation self-consistently. Using the solution, it is found that when Fermi energy E F locates below the band crossing point (BCP), the Hall coefficient is a nonmonotonic function of electron density n e and not inversely proportional to n e. While the magnetoresistance (MR) and Nernst coefficient vanish when E F locates above the BCP, non-zero MR and enhanced Nernst coefficient emerge when E F decreases below the BCP. Both of them are nonmonotonic functions of E F below the BCP. The different semiclassical magnetotransport behaviors between the two sides of the BCP can be helpful to experimental identifications of the band valley regime and topological change of Fermi surface in considered systems.

Semiclassical magnetotransport in strongly spin-orbit coupled Rashba two-dimensional electron systems

NASA Astrophysics Data System (ADS)

Xiao, Cong; Li, Dingping

2016-06-01

Semiclassical magnetoelectric and magnetothermoelectric transport in strongly spin-orbit coupled Rashba two-dimensional electron systems is investigated. In the presence of a perpendicular classically weak magnetic field and short-range impurity scattering, we solve the linearized Boltzmann equation self-consistently. Using the solution, it is found that when Fermi energy E F locates below the band crossing point (BCP), the Hall coefficient is a nonmonotonic function of electron density n e and not inversely proportional to n e. While the magnetoresistance (MR) and Nernst coefficient vanish when E F locates above the BCP, non-zero MR and enhanced Nernst coefficient emerge when E F decreases below the BCP. Both of them are nonmonotonic functions of E F below the BCP. The different semiclassical magnetotransport behaviors between the two sides of the BCP can be helpful to experimental identifications of the band valley regime and topological change of Fermi surface in considered systems.

Semiclassical evaluation of quantum fidelity

NASA Astrophysics Data System (ADS)

Vaníček, Jiří; Heller, Eric J.

2003-11-01

We present a numerically feasible semiclassical (SC) method to evaluate quantum fidelity decay (Loschmidt echo) in a classically chaotic system. It was thought that such evaluation would be intractable, but instead we show that a uniform SC expression not only is tractable but it also gives remarkably accurate numerical results for the standard map in both the Fermi-golden-rule and Lyapunov regimes. Because it allows Monte Carlo evaluation, the uniform expression is accurate at times when there are 1070 semiclassical contributions. Remarkably, it also explicitly contains the “building blocks” of analytical theories of recent literature, and thus permits a direct test of the approximations made by other authors in these regimes, rather than an a posteriori comparison with numerical results. We explain in more detail the extended validity of the classical perturbation approximation and show that within this approximation, the so-called “diagonal approximation” is automatic and does not require ensemble averaging.

Vibration-translation energy transfer in anharmonic diatomic molecules. 2: The vibrational quantum number dependence

NASA Technical Reports Server (NTRS)

Mckenzie, R. L.

1975-01-01

A semiclassical model of the inelastic collision between a vibrationally excited anharmonic oscillator and a structureless atom was used to predict the variation of thermally averaged vibration-translation rate coefficients with temperature and initial-state quantum number. Multiple oscillator states were included in a numerical solution for collinear encounters. The results are compared with CO-He experimental values for both ground and excited initial states using several simplified forms of the interaction potential. The numerical model was also used as a basis for evaluating several less complete but analytic models. Two computationally simple analytic approximations were found that successfully reproduced the numerical rate coefficients for a wide range of molecular properties and collision partners. Their limitations were also identified. The relative rates of multiple-quantum transitions from excited states were evaluated for several molecular types.

On Critical Behaviour in Systems of Hamiltonian Partial Differential Equations.

PubMed

Dubrovin, Boris; Grava, Tamara; Klein, Christian; Moro, Antonio

2015-01-01

We study the critical behaviour of solutions to weakly dispersive Hamiltonian systems considered as perturbations of elliptic and hyperbolic systems of hydrodynamic type with two components. We argue that near the critical point of gradient catastrophe of the dispersionless system, the solutions to a suitable initial value problem for the perturbed equations are approximately described by particular solutions to the Painlevé-I (P[Formula: see text]) equation or its fourth-order analogue P[Formula: see text]. As concrete examples, we discuss nonlinear Schrödinger equations in the semiclassical limit. A numerical study of these cases provides strong evidence in support of the conjecture.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nomura, Yasunori; Salzetta, Nico; Sanches, Fabio

We study the Hilbert space structure of classical spacetimes under the assumption that entanglement in holographic theories determines semiclassical geometry. We show that this simple assumption has profound implications; for example, a superposition of classical spacetimes may lead to another classical spacetime. Despite its unconventional nature, this picture admits the standard interpretation of superpositions of well-defined semiclassical spacetimes in the limit that the number of holographic degrees of freedom becomes large. We illustrate these ideas using a model for the holographic theory of cosmological spacetimes.

Application of semiclassical and geometrical optics theories to resonant modes of a coated sphere.

PubMed

Bambino, Túlio M; Breitschaft, Ana Maria S; Barbosa, Valmar C; Guimarães, Luiz G

2003-03-01

This work deals with some aspects of the resonant scattering of electromagnetic waves by a metallic sphere covered by a dielectric layer, in the weak-absorption approximation. We carry out a geometrical optics treatment of the scattering and develop semiclassical formulas to determine the positions and widths of the system resonances. In addition, we show that the mean lifetime of broad resonances is strongly dependent on the polarization of the incident light.

Few-body semiclassical approach to nucleon transfer and emission reactions

NASA Astrophysics Data System (ADS)

Sultanov, Renat A.; Guster, D.

2014-04-01

A three-body semiclassical model is proposed to describe the nucleon transfer and emission reactions in a heavy-ion collision. In this model the two heavy particles, i.e. nuclear cores A1(ZA1, MA1) and A2(ZA2, MA2), move along classical trajectories {{R}_1}( t ) and {{R}_2}( t ) respectively, while the dynamics of the lighter neutron (n) is considered from a quantum mechanical point of view. Here, Mi are the nucleon masses and Zi are the Coulomb charges of the heavy nuclei (i = 1, 2). A Faddeev-type semiclassical formulation using realistic paired nuclear-nuclear potentials is applied so that all three channels (elastic, rearrangement and break-up) are described in a unified manner. In order to solve the time-dependent equations the Faddeev components of the total three-body wave-function are expanded in terms of the input and output channel target eigenfunctions. In the special case, when the nuclear cores are identical (A1 ≡ A2) and also the two-level approximation in the expansion over the target (subsystem) functions is used, the time-dependent semiclassical Faddeev equations are resolved in an explicit way. To determine the realistic {{R}_1}( t ) and {{R}_2}( t ) trajectories of the nuclear cores, a self-consistent approach based on the Feynman path integral theory is applied.

Monte Carlo calculations of diatomic molecule gas flows including rotational mode excitation

NASA Technical Reports Server (NTRS)

Yoshikawa, K. K.; Itikawa, Y.

1976-01-01

The direct simulation Monte Carlo method was used to solve the Boltzmann equation for flows of an internally excited nonequilibrium gas, namely, of rotationally excited homonuclear diatomic nitrogen. The semi-classical transition probability model of Itikawa was investigated for its ability to simulate flow fields far from equilibrium. The behavior of diatomic nitrogen was examined for several different nonequilibrium initial states that are subjected to uniform mean flow without boundary interactions. A sample of 1000 model molecules was observed as the gas relaxed to a steady state starting from three specified initial states. The initial states considered are: (1) complete equilibrium, (2) nonequilibrium, equipartition (all rotational energy states are assigned the mean energy level obtained at equilibrium with a Boltzmann distribution at the translational temperature), and (3) nonequipartition (the mean rotational energy is different from the equilibrium mean value with respect to the translational energy states). In all cases investigated the present model satisfactorily simulated the principal features of the relaxation effects in nonequilibrium flow of diatomic molecules.

Can a man-made universe be achieved by quantum tunneling without an initial singularity?

NASA Technical Reports Server (NTRS)

Guth, Alan H.; Haller, K. (Editor); Caldi, D. B. (Editor); Islam, M. M. (Editor); Mallett, R. L. (Editor); Mannheim, P. D. (Editor); Swanson, M. S. (Editor)

1991-01-01

Essentially all modern particle theories suggest the possible existence of a false vacuum state; a metastable state with an energy density that cannot be lowered except by means of a very slow phase transition. Inflationary cosmology makes use of such a state to drive the expansion of the big bang, allowing the entire observed universe to evolve from a very small initial mass. A sphere of false vacuum in the present universe, if larger than a certain critical mass, could inflate to form a new universe which would rapidly detach from its parent. A false vacuum bubble of this size, however, cannot be produced classically unless an initial singularity is present from the outset. The possibility is explored that a bubble of subcritical size, which classically would evolve to a maximum size and collapse, might instead tunnel through a barrier to produce a new universe. The tunneling rate using semiclassical quantum gravity is estimated, and some interesting ambiguities in the formulas are discovered.

On the MAF solution of the uniformly lengthening pendulum via change of independent variable in the Bessel's equation

NASA Astrophysics Data System (ADS)

Deniz, Coşkun

Common recipe for the Lengthening Pendulum (LP) involves some change of variables to give a relationship with the Bessel's equation. In this work, semiclassical MAF (Modified Airy Function) solution of the LP is being obtained by first transforming the related Bessel's equation into the normal form via the suggested change of independent variable just as one of our recent work regarding the JWKB solution of the LP in (Deniz, 2017). MAF approximation of the first order Bessel Functions (ν = 1) of both type along with their zeros are being obtained analytically with a very good accuracy as a result of the appropriately chosen associated initial values and they are extended to the neighbouring orders (ν = 0 and 2) by the recursion relations. Although common numerical methods given in the literature require adiabatic LP systems where the lengthening rate is small, MAF solution presented here can safely be used for higher lengthening rates and a criterion for its validity is determined via the use of MAF applicability criterion given in the literature. As a result, the semiclassical MAF method which is normally used for the quantum mechanical and optical waveguide systems is applied to the classical LP system successfully just as our previous work regarding the JWKB solution of the LP. Interestingly, we have very accurate results in the entire domain except for x ≈ 0 .

Semiclassical neutral atom as a reference system in density functional theory.

PubMed

Constantin, Lucian A; Fabiano, E; Laricchia, S; Della Sala, F

2011-05-06

We use the asymptotic expansions of the semiclassical neutral atom as a reference system in density functional theory to construct accurate generalized gradient approximations (GGAs) for the exchange-correlation and kinetic energies without any empiricism. These asymptotic functionals are among the most accurate GGAs for molecular systems, perform well for solid state, and overcome current GGA state of the art in frozen density embedding calculations. Our results also provide evidence for the conjointness conjecture between exchange and kinetic energies of atomic systems.

Semiclassical wave packet treatment of scattering resonances: application to the delta zero-point energy effect in recombination reactions.

PubMed

Vetoshkin, Evgeny; Babikov, Dmitri

2007-09-28

For the first time Feshbach-type resonances important in recombination reactions are characterized using the semiclassical wave packet method. This approximation allows us to determine the energies, lifetimes, and wave functions of the resonances and also to observe a very interesting correlation between them. Most important is that this approach permits description of a quantum delta-zero-point energy effect in recombination reactions and reproduces the anomalous rates of ozone formation.

Some semiclassical structure constants for AdS 4 × CP 3

NASA Astrophysics Data System (ADS)

Ahn, Changrim; Bozhilov, Plamen

2018-02-01

We compute structure constants in three-point functions of three string states in AdS 4× CP 3 in the framework of the semiclassical approach. We consider HHL correlation functions where two of the states are "heavy" string states of finite-size giant magnons carrying one or two angular momenta and the other one corresponds to such "light" states as dilaton operators with non-zero momentum, primary scalar operators, and singlet scalar operators with higher string levels.

Relativistic extended Thomas-Fermi calculations with exchange term contributions

NASA Astrophysics Data System (ADS)

Haddad, S.; Weigel, M. K.

1994-10-01

In this investigation we present self-consistent relativistic extended Thomas-Fermi (ETF) and extended Thomas-Fermi-Fock (ETFF) approaches, derived from the semiclassical treatment of the relativistic nuclear Hartree-Fock problem. The approximations are used to describe the ground-state properties of finite nuclei. The resulting equations are solved numerically for several one-boson-exchange (OBE) lagrangians. The results are discussed and compared with the outcome of full quantal Hartree and Hartree-Fock calculations, other semiclassical treatments and experimental data.

Suppression of Bekenstein-Hawking radiation in f(T)-gravity

NASA Astrophysics Data System (ADS)

Addazi, Andrea

2018-01-01

We discuss semiclassical Nariai black holes in the framework of f(T)-gravity. For a diagonal choice of tetrads, stable Nariai metrics can be found, emitting Bekenstein-Hawking radiation in semiclassical limit. However, for a nondiagonal choice of tetrads, evaporation and anti-evaporation instabilities are turned on. In turn, this causes a backreaction effect suppressing the Bekenstein-Hawking radiation. In particular, evaporation instabilities produce a new radiation — different by Bekenstein-Hawking emission — nonviolating unitarity in particle physics sector.

Semiclassical perturbation Stark widths of singly charged argon spectral lines

NASA Astrophysics Data System (ADS)

Hamdi, Rafik; Ben Nessib, Nabil; Sahal-Bréchot, Sylvie; Dimitrijević, Milan S.

2018-03-01

Using a semiclassical perturbation approach with the impact approximation, Stark widths for singly charged argon (Ar II) spectral lines have been calculated. Energy levels and oscillator strengths needed for this calculation have been determined using the Hartree-Fock method with relativistic corrections. Our Stark widths are compared with experimental results for 178 spectral lines. Our results may be of interest not only for laboratory plasma, lasers and technological plasmas but also for white dwarfs and A- and B-type stars.

Entropy evolution of moving mirrors and the information loss problem

NASA Astrophysics Data System (ADS)

Chen, Pisin; Yeom, Dong-han

2017-07-01

We investigate the entanglement entropy and the information flow of two-dimensional moving mirrors. Here we point out that various mirror trajectories can help to mimic different candidate resolutions to the information loss paradox following the semiclassical quantum field theory: (i) a suddenly stopping mirror corresponds to the assertion that all information is attached to the last burst, (ii) a slowly stopping mirror corresponds to the assertion that thermal Hawking radiation carries information, and (iii) a long propagating mirror corresponds to the remnant scenario. Based on such analogy, we find that the last burst of a black hole cannot contain enough information, while slowly emitting radiation can restore unitarity. For all cases, there is an apparent inconsistency between the picture based on quantum entanglements and that based on the semiclassical quantum field theory. Based on the quantum entanglement theory, a stopping mirror will generate a firewall-like violent emission which is in conflict with notions based on the semiclassical quantum field theory.

Quantum diffraction and shielding effects on the low-energy electron-ion bremsstrahlung in two-component semiclassical plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Myoung-Jae; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr; Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 8th Street, Troy, New York 12180-3590

2015-10-15

The quantum diffraction and shielding effects on the low-energy bremsstrahlung process are investigated in two-component semiclassical plasmas. The impact-parameter analysis with the micropotential taking into account the quantum diffraction and shielding effects is employed to obtain the electron-ion bremsstrahlung radiation cross section as a function of the de Broglie wavelength, density parameter, impact parameter, photon energy, and projectile energy. The result shows that the influence of quantum diffraction and shielding strongly suppresses the bremsstrahlung radiation spectrum in semiclassical plasmas. It is found that the quantum diffraction and shielding effects have broaden the photon emission domain. It is also found thatmore » the photon emission domain is almost independent of the radiation photon energy. In addition, it is found that the influence of quantum diffraction and shielding on the bremsstrahlung spectrum decreases with an increase of the projectile energy. The density effect on the electron-ion bremsstrahlung cross section is also discussed.« less

Signature of charge migration in modulations of double ionization

NASA Astrophysics Data System (ADS)

Mauger, François; Abanador, Paul M.; Bruner, Adam; Sissay, Adonay; Gaarde, Mette B.; Lopata, Kenneth; Schafer, Kenneth J.

2018-04-01

We present a theoretical investigation of charge migration following strong-field ionization in a multielectron system. We study a model homonuclear molecule with two electrons, each restricted to one dimension (1 +1 D ), interacting with a strong, static electric field. We show that in this system charge migration results from the interplay between multiple ionization channels that overlap in space, creating a coherent electron-hole wave packet in the cation. We also find that, in our case, charge migration following the first ionization manifests as a modulation of the subsequent double-ionization signal. We derive a parametrized semiclassical model from the full multielectron system and we discuss the importance of the choice of cation electronic-structure basis for the efficacy of the semiclassical representation. We use the ab initio solution of the full 1 +1 D system as a reference for the qualitative and quantitative results of the parametrized semiclassical model. We discuss the extension of our model to long-wavelength time-dependent fields with full-dimension, many-electron targets.

Semi-Classical Models for Virtual Antiparticle Pairs

NASA Technical Reports Server (NTRS)

Batchelor, David; Zukor, Dorothy (Technical Monitor)

2001-01-01

Virtual particle-antiparticle pairs of massive elementary particle& are predicted in Quantum Field Theory (QFT) to appear from the vacuum and annihilate each other again within their Heisenberg lifetimes h/4mc(exp 2). In this work, semiclassical models of this process - for the cases of massive leptons, quarks, and the massive weak bosons W and Z - are constructed. It is shown that the dynamical lifetime of the particle- antiparticle system in each case equals the Heisenberg lifetime to good approximation, and obeys appropriate quantization conditions on the field fluctuation action. In other words, the dynamical lifetime of the semiclassical model agrees with QED and QCD to good approximation. But the formula for the dynamical lifetime in each model includes the force strength coupling constant (e in the lepton case, alpha(sup s) (q(exp 2)) in the quark cases), while the Heisenberg lifetime formula does not. Observing the agreement of the Heisenberg and dynamical lifetimes, we may derive the QED and QCD coupling constants in terms of h, c, and numerical factors only.

Thermal helium clusters at 3.2 Kelvin in classical and semiclassical simulations

NASA Astrophysics Data System (ADS)

Schulte, J.

1993-03-01

The thermodynamic stability of4He4-13 at 3.2 K is investigated with the classical Monte Carlo method, with the semiclassical path-integral Monte Carlo (PIMC) method, and with the semiclassical all-order many-body method. In the all-order many-body simulation the dipole-dipole approximation including short-range correction is used. The resulting stability plots are discussed and related to recent TOF experiments by Stephens and King. It is found that with classical Monte Carlo of course the characteristics of the measured mass spectrum cannot be resolved. With PIMC, switching on more and more quantum mechanics. by raising the number of virtual time steps results in more structure in the stability plot, but this did not lead to sufficient agreement with the TOF experiment. Only the all-order many-body method resolved the characteristic structures of the measured mass spectrum, including magic numbers. The result shows the influence of quantum statistics and quantum mechanics on the stability of small neutral helium clusters.

On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum

PubMed Central

2017-01-01

We present an on-the-fly ab initio semiclassical study of vibrational energy levels of glycine, calculated by Fourier transform of the wavepacket correlation function. It is based on a multiple coherent states approach integrated with monodromy matrix regularization for chaotic dynamics. All four lowest-energy glycine conformers are investigated by means of single-trajectory semiclassical spectra obtained upon classical evolution of on-the-fly trajectories with harmonic zero-point energy. For the most stable conformer I, direct dynamics trajectories are also run for each vibrational mode with energy equal to the first harmonic excitation. An analysis of trajectories evolved up to 50 000 atomic time units demonstrates that, in this time span, conformers II and III can be considered as isolated species, while conformers I and IV show a pretty facile interconversion. Therefore, previous perturbative studies based on the assumption of isolated conformers are often reliable but might be not completely appropriate in the case of conformer IV and conformer I for which interconversion occurs promptly. PMID:28489368

Communication: Overcoming the root search problem in complex quantum trajectory calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zamstein, Noa; Tannor, David J.

2014-01-28

Three new developments are presented regarding the semiclassical coherent state propagator. First, we present a conceptually different derivation of Huber and Heller's method for identifying complex root trajectories and their equations of motion [D. Huber and E. J. Heller, J. Chem. Phys. 87, 5302 (1987)]. Our method proceeds directly from the time-dependent Schrödinger equation and therefore allows various generalizations of the formalism. Second, we obtain an analytic expression for the semiclassical coherent state propagator. We show that the prefactor can be expressed in a form that requires solving significantly fewer equations of motion than in alternative expressions. Third, the semiclassicalmore » coherent state propagator is used to formulate a final value representation of the time-dependent wavefunction that avoids the root search, eliminates problems with caustics and automatically includes interference. We present numerical results for the 1D Morse oscillator showing that the method may become an attractive alternative to existing semiclassical approaches.« less

Semiclassical transport properties of IrGa₃: a promising thermoelectric material.

PubMed

Alvarez Quiceno, Juan Camilo; Dalpian, Gustavo; Fazzio, Adalberto; Osorio-Guillén, Jorge M

2018-01-09

IrGa3 is an intermetallic compound which is expected to be a metal, but a study on the electronic properties of this material to confirm its metallic character is not available in the literature. In this work, we report for the first time a first-principles Density Functional Theory and semiclassical Boltzmann theory study of the structural, electronic and transport properties of this material. The inclusion of the spin-orbit coupling term is crucial to calculate accurately the electronic properties of this compound. We have established that IrGa3 is an indirect semiconductor with a narrow gap of 0.07 eV. From semiclassical Boltzmann transport theory, it is inferred that this material, with the appropriate hole concentration, could have a thermoelectric figure of merit at room temperature comparable to other intermetallic compounds such as FeGa3, though the transport properties of IrGa3 are highly anisotropic. . © 2018 IOP Publishing Ltd.

Semiclassical S-matrix for black holes

DOE PAGES

Bezrukov, Fedor; Levkov, Dmitry; Sibiryakov, Sergey

2015-12-01

In this study, we propose a semiclassical method to calculate S-matrix elements for two-stage gravitational transitions involving matter collapse into a black hole and evaporation of the latter. The method consistently incorporates back-reaction of the collapsing and emitted quanta on the metric. We illustrate the method in several toy models describing spherical self-gravitating shells in asymptotically flat and AdS space-times. We find that electrically neutral shells reflect via the above collapse-evaporation process with probability exp(–B), where B is the Bekenstein-Hawking entropy of the intermediate black hole. This is consistent with interpretation of exp(B) as the number of black hole states.more » The same expression for the probability is obtained in the case of charged shells if one takes into account instability of the Cauchy horizon of the intermediate Reissner-Nordström black hole. As a result, our semiclassical method opens a new systematic approach to the gravitational S-matrix in the non-perturbative regime.« less

Quantum description of the high-order harmonic generation in multiphoton and tunneling regimes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perez-Hernandez, J. A.; Plaja, L.

2007-08-15

We employ a recently developed S-matrix approach [L. Plaja and J. A. Perez-Hernandez, Opt. Express 15, 3629 (2007)] to investigate the process of harmonic generation in tunnel and multiphoton ionization regimes. In contrast with most of the previous approaches, this model is developed without the stationary phase approximation and including the relevant continuum-continuum transitions. Therefore, it provides a full quantum description of the harmonic generation process in these two ionization regimes, with a good quantitative accuracy with the exact results of the time-dependent Schroedinger equation. We show how this model can be used to investigate the contribution of the electronicmore » population ionized at different times, thus giving a time-resolved description that, up to now, was reserved only to semiclassical models. In addition, we will show some aspects of harmonic generation beyond the semiclassical predictions as, for instance, the emission of radiation while the electron is leaving the parent ion and the generation of harmonics in semiclassically forbidden situations.« less

Subcycle dynamics of Coulomb asymmetry in strong elliptical laser fields.

PubMed

Li, Min; Liu, Yunquan; Liu, Hong; Ning, Qicheng; Fu, Libin; Liu, Jie; Deng, Yongkai; Wu, Chengyin; Peng, Liang-You; Peng, Liangyou; Gong, Qihuang

2013-07-12

We measure photoelectron angular distributions of noble gases in intense elliptically polarized laser fields, which indicate strong structure-dependent Coulomb asymmetry. Using a dedicated semiclassical model, we have disentangled the contribution of direct ionization and multiple forward scattering on Coulomb asymmetry in elliptical laser fields. Our theory quantifies the roles of the ionic potential and initial transverse momentum on Coulomb asymmetry, proving that the small lobes of asymmetry are induced by direct ionization and the strong asymmetry is induced by multiple forward scattering in the ionic potential. Both processes are distorted by the Coulomb force acting on the electrons after tunneling. Lowering the ionization potential, the relative contribution of direct ionization on Coulomb asymmetry substantially decreases and Coulomb focusing on multiple rescattering is more important. We do not observe evident initial longitudinal momentum spread at the tunnel exit according to our simulation.

Dynamics of hot rotating nuclei

NASA Astrophysics Data System (ADS)

Garcias, F.; de La Mota, V.; Remaud, B.; Royer, G.; Sébille, F.

1991-02-01

The deexcitation of hot rotating nuclei is studied within a microscopic semiclassical transport formalism. This framework allows the study of the competition between the fission and evaporation channels of deexcitation, including the mean-field and two-body interactions, without shape constraint for the fission channel. As a function of initial angular momenta and excitation energies, the transitions between three regimes is analyzed [particle evaporation, binary (ternary) fussion and multifragmentation], which correspond to well-defined symmetry breakings in the inertia tensor of the system. The competition between evaporation and binary fission is studied, showing the progressive disappearance of the fission process with increasing excitation energies, up to a critical point where nuclei pass directly from evaporation to multifragmentation channels.

Instantaneous and dynamical decoherence

NASA Astrophysics Data System (ADS)

Polonyi, Janos

2018-04-01

Two manifestations of decoherence, called instantaneous and dynamical, are investigated. The former reflects the suppression of the interference between the components of the current state while the latter reflects that within the initial state. These types of decoherence are computed in the case of the Brownian motion and the harmonic and anharmonic oscillators within the semiclassical approximation. A remarkable phenomenon, namely the opposite orientation of the time arrow of the dynamical variables compared to that of the quantum fluctuations generates a double exponential time dependence of the dynamical decoherence in the presence of a harmonic force. For the weakly anharmonic oscillator the dynamical decoherence is found to depend in a singular way on the amount of the anharmonicity.

Quantum Tunneling from Apparent Horizon of Rainbow-FRW Universe

NASA Astrophysics Data System (ADS)

Lin, Kai; Yang, Shuzheng

2009-07-01

The quantum tunneling from the apparent horizon of rainbow-FRW universe is studied in this paper. We apply the semi-classical approximation, which is put forward by Parikh and Wilczek et al., to research on the scalar field particles tunneling from the apparent horizon of the rainbow-FRW universe, and then use the spin 1/2 Fermions tunneling theory, which brought forward by Kerner and Mann firstly, to research on the Fermions Hawking radiation via semi-classical approximation. Finally, we discuss the meanings of the quantum effect via Finsler geometry.

Semi-classical Reissner-Nordstrom model for the structure of charged leptons

NASA Technical Reports Server (NTRS)

Rosen, G.

1980-01-01

The lepton self-mass problem is examined within the framework of the quantum theory of electromagnetism and gravity. Consideration is given to the Reissner-Nordstrom solution to the Einstein-Maxwell classical field equations for an electrically charged mass point, and the WKB theory for a semiclassical system with total energy zero is used to obtain an expression for the Einstein-Maxwell action factor. The condition obtained is found to account for the observed mass values of the three charged leptons, and to be in agreement with the correspondence principle.

Entangled photon pair generation by spontaneous parametric down-conversion in finite-length one-dimensional photonic crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Centini, M.; Sciscione, L.; Sibilia, C.

A description of spontaneous parametric down-conversion in finite-length one-dimensional nonlinear photonic crystals is developed using semiclassical and quantum approaches. It is shown that if a suitable averaging is added to the semiclassical model, its results are in very good agreement with the quantum approach. We propose two structures made with GaN/AlN that generate both degenerate and nondegenerate entangled photon pairs. Both structures are designed so as to achieve a high efficiency of the nonlinear process.

Semiclassical gravitoelectromagnetic inflation in a Lorentz gauge: Seminal inflaton fluctuations and electromagnetic fields from a 5D vacuum state

NASA Astrophysics Data System (ADS)

Membiela, Federico Agustín; Bellini, Mauricio

2010-02-01

Using a semiclassical approach to Gravitoelectromagnetic Inflation (GEMI), we study the origin and evolution of seminal inflaton and electromagnetic fields in the early inflationary universe from a 5D vacuum state. The difference with other previous works is that in this one we use a Lorentz gauge. Our formalism is naturally not conformal invariant on the effective 4D de Sitter metric, which make possible the super adiabatic amplification of magnetic field modes during the early inflationary epoch of the universe on cosmological scales.

Semi-classical Electrodynamics

NASA Astrophysics Data System (ADS)

Lestone, John

2016-03-01

Quantum electrodynamics is complex and its associated mathematics can appear overwhelming for those not trained in this field. We describe semi-classical approaches that can be used to obtain a more intuitive physical feel for several QED processes including electro-statics, Compton scattering, pair annihilation, the anomalous magnetic moment, and the Lamb shift, that could be taught easily to undergraduate students. Any physicist who brings their laptop to the talk will be able to build spread sheets in less than 10 minutes to calculate g/2 =1.001160 and a Lamb shift of 1057 MHz.

Kuang's Semi-Classical Formalism for Calculating Electron Capture Cross Sections: A Space- Physics Application

NASA Technical Reports Server (NTRS)

Barghouty, A. F.

2014-01-01

Accurate estimates of electroncapture cross sections at energies relevant to the modeling of the transport, acceleration, and interaction of energetic neutral atoms (ENA) in space (approximately few MeV per nucleon) and especially for multi-electron ions must rely on detailed, but computationally expensive, quantum-mechanical description of the collision process. Kuang's semi-classical approach is an elegant and efficient way to arrive at these estimates. Motivated by ENA modeling efforts for apace applications, we shall briefly present this approach along with sample applications and report on current progress.

On the semiclassical treatment of hot nuclear systems

NASA Astrophysics Data System (ADS)

Bartel, J.; Brack, M.; Guet, C.; Håkansson, H.-B.

1984-05-01

We discuss two different semiclassical approaches for calculating properties of hot nuclei and compare them to Hartree-Fock calculations using the same effective interaction. Good agreement is found for the entropy and the root-mean square radii as functions of the excitation energy. For a realistic Skyrme force we evaluate the temperature dependence of the free surface, curvature and constant energy coefficients of the liquid drop model, considering a plane interface of condensed symmetric nuclear matter in thermodynamical equilibrium with a nucleon gas. Present address: ASEA-PFBC AB, S-61220 Finspong, Sweden.

Regular black holes from semi-classical down to Planckian size

NASA Astrophysics Data System (ADS)

Spallucci, Euro; Smailagic, Anais

In this paper, we review various models of curvature singularity free black holes (BHs). In the first part of the review, we describe semi-classical solutions of the Einstein equations which, however, contains a “quantum” input through the matter source. We start by reviewing the early model by Bardeen where the metric is regularized by-hand through a short-distance cutoff, which is justified in terms of nonlinear electro-dynamical effects. This toy-model is useful to point-out the common features shared by all regular semi-classical black holes. Then, we solve Einstein equations with a Gaussian source encoding the quantum spread of an elementary particle. We identify, the a priori arbitrary, Gaussian width with the Compton wavelength of the quantum particle. This Compton-Gauss model leads to the estimate of a terminal density that a gravitationally collapsed object can achieve. We identify this density to be the Planck density, and reformulate the Gaussian model assuming this as its peak density. All these models, are physically reliable as long as the BH mass is big enough with respect to the Planck mass. In the truly Planckian regime, the semi-classical approximation breaks down. In this case, a fully quantum BH description is needed. In the last part of this paper, we propose a nongeometrical quantum model of Planckian BHs implementing the Holographic Principle and realizing the “classicalization” scenario recently introduced by Dvali and collaborators. The classical relation between the mass and radius of the BH emerges only in the classical limit, far away from the Planck scale.

Generalization of the coherent-state path integrals and systematic derivation of semiclassical propagators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koda, Shin-ichi; Takatsuka, Kazuo

The coherent path integral is generalized such that the identity operator represented in a complete (actually overcomplete) set of the coherent states with the ''time-variable'' exponents are inserted between two consecutive short-time propagators. Since such a complete set of any given exponent can constitute the identity operator, the exponent may be varied from time to time without loss of generality as long as it is set common to all the Gaussians. However, a finite truncation of the coherent state expansion should result in different values of the propagator depending on the choice of the exponents. Furthermore, approximation methodology to treatmore » with the exact propagator can also depend on this choice, and thereby many different semiclassical propagators may emerge from these combinations. Indeed, we show that the well-known semiclassical propagators such as those of Van Vleck, Herman-Kluk, Heller's thawed Gaussian, and many others can be derived in a systematic manner, which enables one to comprehend these semiclassical propagators from a unified point of view. We are particularly interested in our generalized form of the Herman-Kluk propagator, since the relative accuracy of this propagator has been well established by Kay, and since, nevertheless, its derivation was not necessarily clear. Thus our generalized Herman-Kluk propagator replaces the classical Hamiltonian with a Gaussian averaged quantum Hamiltonian, generating non-Newtonian trajectories. We perform a numerical test to assess the quality of such a family of generalized Herman-Kluk propagators and find that the original Herman-Kluk gives an accurate result. The reason why this has come about is also discussed.« less

Non-Condon equilibrium Fermi’s golden rule electronic transition rate constants via the linearized semiclassical method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Xiang; Geva, Eitan

2016-06-28

In this paper, we test the accuracy of the linearized semiclassical (LSC) expression for the equilibrium Fermi’s golden rule rate constant for electronic transitions in the presence of non-Condon effects. We do so by performing a comparison with the exact quantum-mechanical result for a model where the donor and acceptor potential energy surfaces are parabolic and identical except for shifts in the equilibrium energy and geometry, and the coupling between them is linear in the nuclear coordinates. Since non-Condon effects may or may not give rise to conical intersections, both possibilities are examined by considering: (1) A modified Garg-Onuchic-Ambegaokar modelmore » for charge transfer in the condensed phase, where the donor-acceptor coupling is linear in the primary mode coordinate, and for which non-Condon effects do not give rise to a conical intersection; (2) the linear vibronic coupling model for electronic transitions in gas phase molecules, where non-Condon effects give rise to conical intersections. We also present a comprehensive comparison between the linearized semiclassical expression and a progression of more approximate expressions. The comparison is performed over a wide range of frictions and temperatures for model (1) and over a wide range of temperatures for model (2). The linearized semiclassical method is found to reproduce the exact quantum-mechanical result remarkably well for both models over the entire range of parameters under consideration. In contrast, more approximate expressions are observed to deviate considerably from the exact result in some regions of parameter space.« less

The state of Hawking radiation is non-classical

NASA Astrophysics Data System (ADS)

Brustein, Ram; Medved, A. J. M.; Zigdon, Yoav

2018-01-01

We show that the state of the Hawking radiation emitted from a large Schwarzschild black hole (BH) deviates significantly from a classical state, in spite of its apparent thermal nature. For this state, the occupation numbers of single modes of massless asymptotic fields, such as photons, gravitons and possibly neutrinos, are small and, as a result, their relative fluctuations are large. The occupation numbers of massive fields are much smaller and suppressed beyond even the expected Boltzmann suppression. It follows that this type of thermal state cannot be viewed as classical or even semiclassical. We substantiate this claim by showing that, in a state with low occupation numbers, physical observables have large quantum fluctuations and, as such, cannot be faithfully described by a mean-field or by a WKB-like semiclassical state. Since the evolution of the BH is unitary, our results imply that the state of the BH interior must also be non-classical when described in terms of the asymptotic fields. We show that such a non-classical interior cannot be described in terms of a semiclassical geometry, even though the average curvature is sub-Planckian.

Barrier modification in sub-barrier fusion reaction 64Ni+100Mo using Wong formula with Skyrme forces in semiclassical formalism

NASA Astrophysics Data System (ADS)

Kumar, Raj; Gupta, Raj K.

2011-09-01

We obtain the nuclear proximity potential by using semiclassical extended Thomas Fermi (ETF) approach in Skyrme energy density formalism (SEDF), and use it in the extended l-summed Wong formula under frozen density approximation. This method has the advantage of allowing the use of different Skyrme forces, giving different barriers. Thus, for a given reaction, we could choose a Skyrme force with proper barrier characteristics, not-requiring extra "barrier lowering" or "barrier narrowing" for a best fit to data. For the 64Ni+100Mo reaction, the l-summed Wong formula, with effects of deformations and orientations of nuclei included, fits the fusion-evaporation cross section data exactly for the force GSkI, requiring additional barrier modifications for forces SIII and SV. However, the same for other similar reactions, like 58,64Ni+58,64Ni, fit the data best for SIII force. Hence, the barrier modification effects in l-summed Wong expression depend on the choice of Skyrme force in semiclassical ETF method.

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

NASA Astrophysics Data System (ADS)

Smets, Quentin; Verreck, Devin; Verhulst, Anne S.; Rooyackers, Rita; Merckling, Clément; Van De Put, Maarten; Simoen, Eddy; Vandervorst, Wilfried; Collaert, Nadine; Thean, Voon Y.; Sorée, Bart; Groeseneken, Guido; Heyns, Marc M.

2014-05-01

Promising predictions are made for III-V tunnel-field-effect transistor (FET), but there is still uncertainty on the parameters used in the band-to-band tunneling models. Therefore, two simulators are calibrated in this paper; the first one uses a semi-classical tunneling model based on Kane's formalism, and the second one is a quantum mechanical simulator implemented with an envelope function formalism. The calibration is done for In0.53Ga0.47As using several p+/intrinsic/n+ diodes with different intrinsic region thicknesses. The dopant profile is determined by SIMS and capacitance-voltage measurements. Error bars are used based on statistical and systematic uncertainties in the measurement techniques. The obtained parameters are in close agreement with theoretically predicted values and validate the semi-classical and quantum mechanical models. Finally, the models are applied to predict the input characteristics of In0.53Ga0.47As n- and p-lineTFET, with the n-lineTFET showing competitive performance compared to MOSFET.

Numerical solutions of the semiclassical Boltzmann ellipsoidal-statistical kinetic model equation

PubMed Central

Yang, Jaw-Yen; Yan, Chin-Yuan; Huang, Juan-Chen; Li, Zhihui

2014-01-01

Computations of rarefied gas dynamical flows governed by the semiclassical Boltzmann ellipsoidal-statistical (ES) kinetic model equation using an accurate numerical method are presented. The semiclassical ES model was derived through the maximum entropy principle and conserves not only the mass, momentum and energy, but also contains additional higher order moments that differ from the standard quantum distributions. A different decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. The numerical method in phase space combines the discrete-ordinate method in momentum space and the high-resolution shock capturing method in physical space. Numerical solutions of two-dimensional Riemann problems for two configurations covering various degrees of rarefaction are presented and various contours of the quantities unique to this new model are illustrated. When the relaxation time becomes very small, the main flow features a display similar to that of ideal quantum gas dynamics, and the present solutions are found to be consistent with existing calculations for classical gas. The effect of a parameter that permits an adjustable Prandtl number in the flow is also studied. PMID:25104904

Approximate solution to the Callan-Giddings-Harvey-Strominger field equations for two-dimensional evaporating black holes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ori, Amos

2010-11-15

Callan, Giddings, Harvey, and Strominger (CGHS) previously introduced a two-dimensional semiclassical model of gravity coupled to a dilaton and to matter fields. Their model yields a system of field equations which may describe the formation of a black hole in gravitational collapse as well as its subsequent evaporation. Here we present an approximate analytical solution to the semiclassical CGHS field equations. This solution is constructed using the recently introduced formalism of flux-conserving hyperbolic systems. We also explore the asymptotic behavior at the horizon of the evaporating black hole.

Mean-trajectory approximation for electronic and vibrational-electronic nonlinear spectroscopy

NASA Astrophysics Data System (ADS)

Loring, Roger F.

2017-04-01

Mean-trajectory approximations permit the calculation of nonlinear vibrational spectra from semiclassically quantized trajectories on a single electronically adiabatic potential surface. By describing electronic degrees of freedom with classical phase-space variables and subjecting these to semiclassical quantization, mean-trajectory approximations may be extended to compute both nonlinear electronic spectra and vibrational-electronic spectra. A general mean-trajectory approximation for both electronic and nuclear degrees of freedom is presented, and the results for purely electronic and for vibrational-electronic four-wave mixing experiments are quantitatively assessed for harmonic surfaces with linear electronic-nuclear coupling.

Scale-invariant curvature fluctuations from an extended semiclassical gravity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pinamonti, Nicola, E-mail: pinamont@dima.unige.it, E-mail: siemssen@dima.unige.it; INFN Sezione di Genova, Via Dodecaneso 33, 16146 Genova; Siemssen, Daniel, E-mail: pinamont@dima.unige.it, E-mail: siemssen@dima.unige.it

2015-02-15

We present an extension of the semiclassical Einstein equations which couple n-point correlation functions of a stochastic Einstein tensor to the n-point functions of the quantum stress-energy tensor. We apply this extension to calculate the quantum fluctuations during an inflationary period, where we take as a model a massive conformally coupled scalar field on a perturbed de Sitter space and describe how a renormalization independent, almost-scale-invariant power spectrum of the scalar metric perturbation is produced. Furthermore, we discuss how this model yields a natural basis for the calculation of non-Gaussianities of the considered metric fluctuations.

Subdiffraction incoherent optical imaging via spatial-mode demultiplexing: Semiclassical treatment

NASA Astrophysics Data System (ADS)

Tsang, Mankei

2018-02-01

I present a semiclassical analysis of a spatial-mode demultiplexing (SPADE) measurement scheme for far-field incoherent optical imaging under the effects of diffraction and photon shot noise. Building on previous results that assume two point sources or the Gaussian point-spread function, I generalize SPADE for a larger class of point-spread functions and evaluate its errors in estimating the moments of an arbitrary subdiffraction object. Compared with the limits to direct imaging set by the Cramér-Rao bounds, the results show that SPADE can offer far superior accuracy in estimating second- and higher-order moments.

Swings and roundabouts: optical Poincaré spheres for polarization and Gaussian beams

NASA Astrophysics Data System (ADS)

Dennis, M. R.; Alonso, M. A.

2017-02-01

The connection between Poincaré spheres for polarization and Gaussian beams is explored, focusing on the interpretation of elliptic polarization in terms of the isotropic two-dimensional harmonic oscillator in Hamiltonian mechanics, its canonical quantization and semiclassical interpretation. This leads to the interpretation of structured Gaussian modes, the Hermite-Gaussian, Laguerre-Gaussian and generalized Hermite-Laguerre-Gaussian modes as eigenfunctions of operators corresponding to the classical constants of motion of the two-dimensional oscillator, which acquire an extra significance as families of classical ellipses upon semiclassical quantization. This article is part of the themed issue 'Optical orbital angular momentum'.

Stable long-time semiclassical description of zero-point energy in high-dimensional molecular systems.

PubMed

Garashchuk, Sophya; Rassolov, Vitaly A

2008-07-14

Semiclassical implementation of the quantum trajectory formalism [J. Chem. Phys. 120, 1181 (2004)] is further developed to give a stable long-time description of zero-point energy in anharmonic systems of high dimensionality. The method is based on a numerically cheap linearized quantum force approach; stabilizing terms compensating for the linearization errors are added into the time-evolution equations for the classical and nonclassical components of the momentum operator. The wave function normalization and energy are rigorously conserved. Numerical tests are performed for model systems of up to 40 degrees of freedom.

Can Black Hole Relax Unitarily?

NASA Astrophysics Data System (ADS)

Solodukhin, S. N.

2005-03-01

We review the way the BTZ black hole relaxes back to thermal equilibrium after a small perturbation and how it is seen in the boundary (finite volume) CFT. The unitarity requires the relaxation to be quasi-periodic. It is preserved in the CFT but is not obvious in the case of the semiclassical black hole the relaxation of which is driven by complex quasi-normal modes. We discuss two ways of modifying the semiclassical black hole geometry to maintain unitarity: the (fractal) brick wall and the worm-hole modification. In the latter case the entropy comes out correctly as well.

Elastic scattering of low energy electrons in partially ionized dense semiclassical plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dzhumagulova, K. N., E-mail: dzhumagulova.karlygash@gmail.com; Shalenov, E. O.; Ramazanov, T. S.

2015-08-15

Elastic scattering of electrons by hydrogen atoms in a dense semiclassical hydrogen plasma for low impact energies has been studied. Differential scattering cross sections were calculated within the effective model of electron-atom interaction taking into account the effect of screening as well as the quantum mechanical effect of diffraction. The calculations were carried out on the basis of the phase-function method. The influence of the diffraction effect on the Ramsauer–Townsend effect was studied on the basis of a comparison with results made within the effective polarization model of the Buckingham type.

On the semi-classical limit of scalar products of the XXZ spin chain

NASA Astrophysics Data System (ADS)

Jiang, Yunfeng; Brunekreef, Joren

2017-03-01

We study the scalar products between Bethe states in the XXZ spin chain with anisotropy |Δ| > 1 in the semi-classical limit where the length of the spin chain and the number of magnons tend to infinity with their ratio kept finite and fixed. Our method is a natural yet non-trivial generalization of similar methods developed for the XXX spin chain. The final result can be written in a compact form as a contour integral in terms of Faddeev's quantum dilogarithm function, which in the isotropic limit reduces to the classical dilogarithm function.

Semiclassical analysis for pseudo-relativistic Hartree equations

NASA Astrophysics Data System (ADS)

Cingolani, Silvia; Secchi, Simone

2015-06-01

In this paper we study the semiclassical limit for the pseudo-relativistic Hartree equation $\\sqrt{-\\varepsilon^2 \\Delta + m^2}u + V u = (I_\\alpha * |u|^{p}) |u|^{p-2}u$ in $\\mathbb{R}^N$ where $m>0$, $2 \\leq p < \\frac{2N}{N-1}$, $V \\colon \\mathbb{R}^N \\to \\mathbb{R}$ is an external scalar potential, $I_\\alpha (x) = \\frac{c_{N,\\alpha}}{|x|^{N-\\alpha}}$ is a convolution kernel, $c_{N,\\alpha}$ is a positive constant and $(N-1)p-N<\\alpha

The quantum N-body problem in the mean-field and semiclassical regime

NASA Astrophysics Data System (ADS)

Golse, François

2018-04-01

The present work discusses the mean-field limit for the quantum N-body problem in the semiclassical regime. More precisely, we establish a convergence rate for the mean-field limit which is uniform as the ratio of Planck constant to the action of the typical single particle tends to zero. This convergence rate is formulated in terms of a quantum analogue of the quadratic Monge-Kantorovich or Wasserstein distance. This paper is an account of some recent collaboration with C. Mouhot, T. Paul and M. Pulvirenti. This article is part of the themed issue `Hilbert's sixth problem'.

Statistics of Gaussian packets on metric and decorated graphs.

PubMed

Chernyshev, V L; Shafarevich, A I

2014-01-28

We study a semiclassical asymptotics of the Cauchy problem for a time-dependent Schrödinger equation on metric and decorated graphs with a localized initial function. A decorated graph is a topological space obtained from a graph via replacing vertices with smooth Riemannian manifolds. The main term of an asymptotic solution at an arbitrary finite time is a sum of Gaussian packets and generalized Gaussian packets (localized near a certain set of codimension one). We study the number of packets as time tends to infinity. We prove that under certain assumptions this number grows in time as a polynomial and packets fill the graph uniformly. We discuss a simple example of the opposite situation: in this case, a numerical experiment shows a subexponential growth.

Revisiting Adiabatic Switching for Initial Conditions in Quasi-Classical Trajectory Calculations: Application to CH4.

PubMed

Qu, Chen; Bowman, Joel M

2016-07-14

Semiclassical quantization of vibrational energies, using adiabatic switching (AS), is applied to CH4 using a recent ab initio potential energy surface, for which exact quantum calculations of vibrational energies are available. Details of the present calculations, which employ a harmonic normal-mode zeroth-order Hamiltonian, emphasize the importance of transforming to the Eckart frame during the propagation of the adiabatically switched Hamiltonian. The AS energies for the zero-point, and fundamental excitations of two modes are in good agreement with the quantum ones. The use of AS in the context of quasi-classical trajectory calculations is revisited, following previous work reported in 1995, which did not recommend the procedure. We come to a different conclusion here.

A classical phase r-centroid approach to molecular wave packet dynamics illustrating the danger of using an incomplete set of initial states for thermal averaging

NASA Astrophysics Data System (ADS)

Hansson, Tony

1999-08-01

An inexpensive semiclassical method to simulate time-resolved pump-probe spectroscopy on molecular wave packets is applied to NaK molecules at high temperature. The method builds on the introduction of classical phase factors related to the r-centroids for vibronic transitions and assumes instantaneous laser-molecule interaction. All observed quantum mechanical features are reproduced - for short times where experimental data are available even quantitatively. Furthermore, it is shown that fully quantum dynamical molecular wave packet calculations on molecules at elevated temperatures, which do not include all rovibrational states, must be regarded with caution, as they easily might yield even qualitatively incorrect results.

Steering continuum electron dynamics by low-energy attosecond streaking

NASA Astrophysics Data System (ADS)

Geng, Ji-Wei; Xiong, Wei-Hao; Xiao, Xiang-Ru; Gong, Qihuang; Peng, Liang-You

2016-08-01

A semiclassical model is developed to understand the electronic dynamics in the low-energy attosecond streaking. Under a relatively strong infrared (IR) pulse, the low-energy part of photoelectrons initialized by a single attosecond pulse (SAP) can either rescatter with the ionic core and induce interferences structures in the momentum spectra of the ionized electrons or be recaptured into the Rydberg states. The Coulomb potential plays essential roles in both the electron rescattering and recapturing processes. We find that by changing the time delay between the SAP and the IR pulse, the photoelectrons yield or the population of the Rydberg states can be effectively controlled. The present study demonstrates a fascinating way to steer the electron motion in the continuum.

Linking protein structure and dynamics to catalysis: the role of hydrogen tunnelling

PubMed Central

Klinman, Judith P

2006-01-01

Early studies of enzyme-catalysed hydride transfer reactions indicated kinetic anomalies that were initially interpreted in the context of a ‘tunnelling correction’. An alternate model for tunnelling emerged following studies of the hydrogen atom transfer catalysed by the enzyme soybean lipoxygenase. This invokes full tunnelling of all isotopes of hydrogen, with reaction barriers reflecting the heavy atom, environmental reorganization terms. Using the latter approach, we offer an integration of the aggregate data implicating hydrogen tunnelling in enzymes (i.e. deviations from Swain–Schaad relationships and the semi-classical temperature dependence of the hydrogen isotope effect). The impact of site-specific mutations of enzymes plays a critical role in our understanding of the factors that control tunnelling in enzyme reactions. PMID:16873120

An Experimental and Theoretical Study of Nitrogen-Broadened Acetylene Lines

NASA Technical Reports Server (NTRS)

Thibault, Franck; Martinez, Raul Z.; Bermejo, Dionisio; Ivanov, Sergey V.; Buzykin, Oleg G.; Ma, Qiancheng

2014-01-01

We present experimental nitrogen-broadening coefficients derived from Voigt profiles of isotropic Raman Q-lines measured in the 2 band of acetylene (C2H2) at 150 K and 298 K, and compare them to theoretical values obtained through calculations that were carried out specifically for this work. Namely, full classical calculations based on Gordon's approach, two kinds of semi-classical calculations based on Robert Bonamy method as well as full quantum dynamical calculations were performed. All the computations employed exactly the same ab initio potential energy surface for the C2H2N2 system which is, to our knowledge, the most realistic, accurate and up-to-date one. The resulting calculated collisional half-widths are in good agreement with the experimental ones only for the full classical and quantum dynamical methods. In addition, we have performed similar calculations for IR absorption lines and compared the results to bibliographic values. Results obtained with the full classical method are again in good agreement with the available room temperature experimental data. The quantum dynamical close-coupling calculations are too time consuming to provide a complete set of values and therefore have been performed only for the R(0) line of C2H2. The broadening coefficient obtained for this line at 173 K and 297 K also compares quite well with the available experimental data. The traditional Robert Bonamy semi-classical formalism, however, strongly overestimates the values of half-width for both Qand R-lines. The refined semi-classical Robert Bonamy method, first proposed for the calculations of pressure broadening coefficients of isotropic Raman lines, is also used for IR lines. By using this improved model that takes into account effects from line coupling, the calculated semi-classical widths are significantly reduced and closer to the measured ones.

Black holes as bubble nucleation sites

NASA Astrophysics Data System (ADS)

Gregory, Ruth; Moss, Ian G.; Withers, Benjamin

2014-03-01

We consider the effect of inhomogeneities on the rate of false vacuum decay. Modelling the inhomogeneity by a black hole, we construct explicit Euclidean instantons which describe the nucleation of a bubble of true vacuum centred on the inhomogeneity. We find that inhomogeneity significantly enhances the nucleation rate over that of the Coleman-de Luccia instanton — the black hole acts as a nucleation site for the bubble. The effect is larger than previously believed due to the contributions to the action from conical singularities. For a sufficiently low initial mass, the original black hole is replaced by flat space during this process, as viewed by a single causal patch observer. Increasing the initial mass, we find a critical value above which a black hole remnant survives the process. This resulting black hole can have a higher mass than the original black hole, but always has a lower entropy. We compare the process to bubble-to-bubble transitions, where there is a semi-classical Lorentzian description in the WKB approximation.

Theory of molecular rate processes in the presence of intense laser radiation

NASA Technical Reports Server (NTRS)

George, T. F.; Zimmerman, I. H.; Devries, P. L.; Yuan, J.-M.; Lam, K.-S.; Bellum, J. C.; Lee, H.-W.; Slutsky, M. S.; Lin, J.-T.

1979-01-01

The present paper deals with the influence of intense laser radiation on gas-phase molecular rate processes. Representations of the radiation field, the particle system, and the interaction involving these two entities are discussed from a general rather than abstract point of view. The theoretical methods applied are outlined, and the formalism employed is illustrated by application to a variety of specific processes. Quantum mechanical and semiclassical treatments of representative atom-atom and atom-diatom collision processes in the presence of a field are examined, and examples of bound-continuum processes and heterogeneous catalysis are discussed within the framework of both quantum-mechanical and semiclassical theories.

Experimental Evidence for Hydrogen Tunneling when the Isotopic Arrhenius Prefactor (AH/AD) is Unity

PubMed Central

Sharma, Sudhir C.; Klinman, Judith P.

2009-01-01

The temperature dependence of the kinetic isotope effect (KIE) is one of the major tools used for the investigation of hydrogen tunneling in condensed phase. Hydrogen transfer reactions displaying isotopic Arrhenius prefactor ratios (AH/AD) of unity are generally ascribed to a semi-classical mechanism. Here, we have identified a double mutant of soybean lipoxygenase (SLO-1, an enzyme previously shown to follow quantum mechanical hydrogen tunneling), that displays an AH/AD of unity and highly elevated (non-classical) KIEs. This observation highlights the shortcoming of assigning a hydrogen transfer reaction to a semi-classical model based solely on an Arrhenius prefactor ratio. PMID:19061319

Gravitational decoherence, alternative quantum theories and semiclassical gravity

NASA Astrophysics Data System (ADS)

Hu, B. L.

2014-04-01

In this report we discuss three aspects: 1) Semiclassical gravity theory (SCG): 4 levels of theories describing the interaction of quantum matter with classical gravity. 2) Alternative Quantum Theories: Discerning those which are derivable from general relativity (GR) plus quantum field theory (QFT) from those which are not 3) Gravitational Decoherence: derivation of a master equation and examination of the assumptions which led to the claims of observational possibilities. We list three sets of corresponding problems worthy of pursuit: a) Newton-Schrödinger Equations in relation to SCG; b) Master equation of gravity-induced effects serving as discriminator of 2); and c) Role of gravity in macroscopic quantum phenomena.

Quadratic Forms and Semiclassical Eigenfunction Hypothesis for Flat Tori

NASA Astrophysics Data System (ADS)

T. Sardari, Naser

2018-03-01

Let Q( X) be any integral primitive positive definite quadratic form in k variables, where {k≥4}, and discriminant D. For any integer n, we give an upper bound on the number of integral solutions of Q( X) = n in terms of n, k, and D. As a corollary, we prove a conjecture of Lester and Rudnick on the small scale equidistribution of almost all functions belonging to any orthonormal basis of a given eigenspace of the Laplacian on the flat torus {T^d} for {d≥ 5}. This conjecture is motivated by the work of Berry [2,3] on the semiclassical eigenfunction hypothesis.

Semiclassical Wheeler-DeWitt equation: Solutions for long-wavelength fields

NASA Astrophysics Data System (ADS)

Salopek, D. S.; Stewart, J. M.; Parry, J.

1993-07-01

In the long-wavelength approximation, a general set of semiclassical wave functionals is given for gravity and matter interacting in 3+1 dimensions. In the long-wavelength theory, one neglects second-order spatial gradients in the energy constraint. These solutions satisfy the Hamilton-Jacobi equation, the momentum constraint, and the equation of continuity. It is essential to introduce inhomogeneities to discuss the role of time. The time hypersurface is chosen to be a homogeneous field in the wave functional. It is shown how to introduce tracer particles through a dust field χ into the dynamical system. The formalism can be used to describe stochastic inflation.

Periodic Orbits and Semiclassical Form Factor in Barrier Billiards

NASA Astrophysics Data System (ADS)

Giraud, O.

2005-11-01

Using heuristic arguments based on the trace formulas, we analytically calculate the semiclassical two-point correlation form factor for a family of rectangular billiards with a barrier of height irrational with respect to the side of the billiard and located at any rational position p/q from the side. To do this, we first obtain the asymptotic density of lengths for each family of periodic orbits by a Siegel-Veech formula. The result obtained for these pseudo-integrable, non-Veech billiards is different but not far from the value of 1/2 expected for semi-Poisson statistics and from values of obtained previously in the case of Veech billiards.

Estimates of the thermal conductivity and the thermoelectric properties of PbTiO3 from first principles

NASA Astrophysics Data System (ADS)

Roy, Anindya

2016-03-01

The lattice thermal conductivity (κL) of PbTiO3 is estimated using a combination of ab initio calculations and the semiclassical Boltzmann transport equation. The computed κL is remarkably low, nearly comparable with the κL of good thermoelectric materials such as PbTe. In addition, a semiclassical analysis of the electronic transport quantities is presented, which suggests excellent thermoelectric properties, with a figure of merit z T well over 1 for a wide range of temperatures. For thermoelectric applications, the κL could be further reduced by utilizing different morphologies and compositions.

Shells, orbit bifurcations, and symmetry restorations in Fermi systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Magner, A. G., E-mail: magner@kinr.kiev.ua; Koliesnik, M. V.; Arita, K.

The periodic-orbit theory based on the improved stationary-phase method within the phase-space path integral approach is presented for the semiclassical description of the nuclear shell structure, concerning themain topics of the fruitful activity ofV.G. Soloviev. We apply this theory to study bifurcations and symmetry breaking phenomena in a radial power-law potential which is close to the realistic Woods–Saxon one up to about the Fermi energy. Using the realistic parametrization of nuclear shapes we explain the origin of the double-humped fission barrier and the asymmetry in the fission isomer shapes by the bifurcations of periodic orbits. The semiclassical origin of themore » oblate–prolate shape asymmetry and tetrahedral shapes is also suggested within the improved periodic-orbit approach. The enhancement of shell structures at some surface diffuseness and deformation parameters of such shapes are explained by existence of the simple local bifurcations and new non-local bridge-orbit bifurcations in integrable and partially integrable Fermi-systems. We obtained good agreement between the semiclassical and quantum shell-structure components of the level density and energy for several surface diffuseness and deformation parameters of the potentials, including their symmetry breaking and bifurcation values.« less

Rydberg Atoms in Strong Fields: a Testing Ground for Quantum Chaos.

NASA Astrophysics Data System (ADS)

Courtney, Michael

1995-01-01

Rydberg atoms in strong static electric and magnetic fields provide experimentally accessible systems for studying the connections between classical chaos and quantum mechanics in the semiclassical limit. This experimental accessibility has motivated the development of reliable quantum mechanical solutions. This thesis uses both experimental and computed quantum spectra to test the central approaches to quantum chaos. These central approaches consist mainly of developing methods to compute the spectra of quantum systems in non -perturbative regimes, correlating statistical descriptions of eigenvalues with the classical behavior of the same Hamiltonian, and the development of semiclassical methods such as periodic-orbit theory. Particular emphasis is given to identifying the spectral signature of recurrences --quantum wave packets which follow classical orbits. The new findings include: the breakdown of the connection between energy-level statistics and classical chaos in odd-parity diamagnetic lithium, the discovery of the signature of very long period orbits in atomic spectra, quantitative evidence for the scattering of recurrences by the alkali -metal core, quantitative description of the behavior of recurrences near bifurcations, and a semiclassical interpretation of the evolution of continuum Stark spectra. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253-1690.).

Symmetry-Based Techniques for Qualitative Understanding of Rovibrational Effects in Spherical-Top Molecular Spectra and Dynamics

NASA Astrophysics Data System (ADS)

Mitchell, Justin Chadwick

2011-12-01

Using light to probe the structure of matter is as natural as opening our eyes. Modern physics and chemistry have turned this art into a rich science, measuring the delicate interactions possible at the molecular level. Perhaps the most commonly used tool in computational spectroscopy is that of matrix diagonalization. While this is invaluable for calculating everything from molecular structure and energy levels to dipole moments and dynamics, the process of numerical diagonalization is an opaque one. This work applies symmetry and semi-classical techniques to elucidate numerical spectral analysis for high-symmetry molecules. Semi-classical techniques, such as the Potential Energy Surfaces, have long been used to help understand molecular vibronic and rovibronic spectra and dynamics. This investigation focuses on newer semi-classical techniques that apply Rotational Energy Surfaces (RES) to rotational energy level clustering effects in high-symmetry molecules. Such clusters exist in rigid rotor molecules as well as deformable spherical tops. This study begins by using the simplicity of rigid symmetric top molecules to clarify the classical-quantum correspondence of RES semi-classical analysis and then extends it to a more precise and complete theory of modern high-resolution spectra. RES analysis is extended to molecules having more complex and higher rank tensorial rotational and rovibrational Hamiltonians than were possible to understand before. Such molecules are shown to produce an extraordinary range of rotational level clusters, corresponding to a panoply of symmetries ranging from C4v to C2 and C1 (no symmetry) with a corresponding range of new angular momentum localization and J-tunneling effects. Using RES topography analysis and the commutation duality relations between symmetry group operators in the lab-frame to those in the body-frame, it is shown how to better describe and catalog complex splittings found in rotational level clusters. Symmetry character analysis is generalized to give analytic eigensolutions. An appendix provides vibrational analogies. For the first time, interactions between molecular vibrations (polyads) are described semi-classically by multiple RES. This is done for the nu 3/2nu4 dyad of CF4. The nine-surface RES topology of the U(9)-dyad agrees with both computational and experimental work. A connection between this and a simpler U(2) example is detailed in an Appendix.

Semiclassical study of quantum coherence and isotope effects in ultrafast electron transfer reactions coupled to a proton and a phonon bath.

PubMed

Venkataraman, Charulatha

2011-11-28

The linearized semiclassical initial value representation is employed to describe ultrafast electron transfer processes coupled to a phonon bath and weakly coupled to a proton mode. The goal of our theoretical investigation is to understand the influence of the proton on the electronic dynamics in various bath relaxation regimes. More specifically, we study the impact of the proton on coherences and analyze if the coupling to the proton is revealed in the form of an isotope effect. This will be important in distinguishing reactions in which the proton does not undergo significant rearrangement from those in which the electron transfer is accompanied by proton transfer. Unlike other methodologies widely employed to describe nonadiabatic electron transfer, this approach treats the electronic and nuclear degrees of freedom consistently. However, due to the linearized approximation, quantum interference effects are not captured accurately. Our study shows that at small phonon bath reorganization energies, coherent oscillations and isotope effect are observed in both slow and fast bath regimes. The coherences are more substantially damped by deuterium in comparison to the proton. Further, in contrast to the dynamics of the spin-boson model, the coherences are not long-lived. At large bath reorganization energies, the decay is incoherent in the slow and fast bath regimes. In this case, the extent of the isotope effect depends on the relative relaxation timescales of the proton mode and the phonon bath. The isotope effect is magnified for baths that relax on picosecond timescales in contrast to baths that relax in femtoseconds.

Variational mixed quantum/semiclassical simulation of dihalogen guest and rare-gas solid host dynamics

NASA Astrophysics Data System (ADS)

Cheng, Xiaolu; Cina, Jeffrey A.

2014-07-01

A variational mixed quantum-semiclassical theory for the internal nuclear dynamics of a small molecule and the induced small-amplitude coherent motion of a low-temperature host medium is developed, tested, and used to simulate the temporal evolution of nonstationary states of the internal molecular and surrounding medium degrees of freedom. In this theory, termed the Fixed Vibrational Basis/Gaussian Bath (FVB/GB) method, the system is treated fully quantum mechanically while Gaussian wave packets are used for the bath degrees of freedom. An approximate time-dependent wave function of the entire model is obtained instead of just a reduced system density matrix, so the theory enables the analysis of the entangled system and bath dynamics that ensues following initial displacement of the internal-molecular (system) coordinate from its equilibrium position. The norm- and energy-conserving properties of the propagation of our trial wave function are natural consequences of the Dirac-Frenkel-McLachlan variational principle. The variational approach also stabilizes the time evolution in comparison to the same ansatz propagated under a previously employed locally quadratic approximation to the bath potential and system-bath interaction terms in the bath-parameter equations of motion. Dynamics calculations are carried out for molecular iodine in a 2D krypton lattice that reveal both the time-course of vibrational decoherence and the details of host-atom motion accompanying energy dissipation and dephasing. This work sets the stage for the comprehensive simulation of ultrafast time-resolved optical experiments on small molecules in low-temperature solids.

A model for explaining fusion suppression using classical trajectory method

NASA Astrophysics Data System (ADS)

Phookan, C. K.; Kalita, K.

2015-01-01

We adopt a semi-classical approach for explanation of projectile breakup and above barrier fusion suppression for the reactions 6Li+152Sm and 6Li+144Sm. The cut-off impact parameter for fusion is determined by employing quantum mechanical ideas. Within this cut-off impact parameter for fusion, the fraction of projectiles undergoing breakup is determined using the method of classical trajectory in two-dimensions. For obtaining the initial conditions of the equations of motion, a simplified model of the 6Li nucleus has been proposed. We introduce a simple formula for explanation of fusion suppression. We find excellent agreement between the experimental and calculated fusion cross section. A slight modification of the above formula for fusion suppression is also proposed for a three-dimensional model.

Scattering of accelerated wave packets

NASA Astrophysics Data System (ADS)

Longhi, S.; Horsley, S. A. R.; Della Valle, G.

2018-03-01

Wave-packet scattering from a stationary potential is significantly modified when the wave packet is subject to an external time-dependent force during the interaction. In the semiclassical limit, wave-packet motion is simply described by Newtonian equations, and the external force can, for example, cancel the potential force, making a potential barrier transparent. Here we consider wave-packet scattering from reflectionless potentials, where in general the potential becomes reflective when probed by an accelerated wave packet. In the particular case of the recently introduced class of complex Kramers-Kronig potentials we show that a broad class of time-dependent forces can be applied without inducing any scattering, while there is a breakdown of the reflectionless property when there is a broadband distribution of initial particle momentum, involving both positive and negative components.

Peculiarities of spike multimode generation of a superradiant distributed feedback laser

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kocharovskaya, E R; Ginzburg, N S; Sergeev, A S

2011-08-31

Using one-dimensional semiclassical Maxwell - Bloch equations with account for the coherent polarisation dynamics, we have studied spike generation regimes of a superradiant distributed feedback laser in the case of inhomogeneous broadening of the spectral line of an active medium. By analysing the dynamic spectra of inversion of the active medium and laser radiation, we have revealed the relationship of individual spikes of radiation and their modulation with specific parts in the spectral line of the active medium and mode beatings. It has been shown that the broadening and shift of the lasing spectrum with respect to the initial electromagneticmore » Bragg-cavity modes is accompanied by a strong spectral gradient of inversion that is typical of the superradiant regimes. (control of radiation parameters)« less

Semiclassical analysis of spectral singularities and their applications in optics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mostafazadeh, Ali

2011-08-15

Motivated by possible applications of spectral singularities in optics, we develop a semiclassical method of computing spectral singularities. We use this method to examine the spectral singularities of a planar slab gain medium whose gain coefficient varies due to the exponential decay of the intensity of the pumping beam inside the medium. For both singly and doublypumped samples, we obtain universal upper bounds on the decay constant beyond which no lasing occurs. Furthermore, we show that the dependence of the wavelength of the spectral singularities on the value of the decay constant is extremely mild. This is an indication ofmore » the stability of optical spectral singularities.« less

Statistics of time delay and scattering correlation functions in chaotic systems. I. Random matrix theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Novaes, Marcel

2015-06-15

We consider the statistics of time delay in a chaotic cavity having M open channels, in the absence of time-reversal invariance. In the random matrix theory approach, we compute the average value of polynomial functions of the time delay matrix Q = − iħS{sup †}dS/dE, where S is the scattering matrix. Our results do not assume M to be large. In a companion paper, we develop a semiclassical approximation to S-matrix correlation functions, from which the statistics of Q can also be derived. Together, these papers contribute to establishing the conjectured equivalence between the random matrix and the semiclassical approaches.

Comparison of local exchange potentials of electron-N2 scattering

NASA Astrophysics Data System (ADS)

Rumble, J. R., Jr.; Truhlar, D. G.

1980-05-01

Vibrationally and electronically elastic electron scattering by N2 at 2-30 eV impact energy is considered. Static, static-exchange, and static-exchange-plus-polarization potentials, Cade-Sales-Wahl and INDO/1s wave functions, and semiclassical exchange and Hara free-electron-gas exchange potentials are examined. It is shown that the semiclassical exchange approximation is too attractive at low energy for N2. It is also shown quantitatively by consideration of partial and total integral cross sections how the effects of approximations to exchange become smaller as the incident energy is increased until the differences are about 8% for the total integral cross section at 30 eV.

A new semiclassical decoupling scheme for electronic transitions in molecular collisions - Application to vibrational-to-electronic energy transfer

NASA Technical Reports Server (NTRS)

Lee, H.-W.; Lam, K. S.; Devries, P. L.; George, T. F.

1980-01-01

A new semiclassical decoupling scheme (the trajectory-based decoupling scheme) is introduced in a computational study of vibrational-to-electronic energy transfer for a simple model system that simulates collinear atom-diatom collisions. The probability of energy transfer (P) is calculated quasiclassically using the new scheme as well as quantum mechanically as a function of the atomic electronic-energy separation (lambda), with overall good agreement between the two sets of results. Classical mechanics with the new decoupling scheme is found to be capable of predicting resonance behavior whereas an earlier decoupling scheme (the coordinate-based decoupling scheme) failed. Interference effects are not exhibited in P vs lambda results.

Semiclassical approach to finite-temperature quantum annealing with trapped ions

NASA Astrophysics Data System (ADS)

Raventós, David; Graß, Tobias; Juliá-Díaz, Bruno; Lewenstein, Maciej

2018-05-01

Recently it has been demonstrated that an ensemble of trapped ions may serve as a quantum annealer for the number-partitioning problem [Nat. Commun. 7, 11524 (2016), 10.1038/ncomms11524]. This hard computational problem may be addressed by employing a tunable spin-glass architecture. Following the proposal of the trapped-ion annealer, we study here its robustness against thermal effects; that is, we investigate the role played by thermal phonons. For the efficient description of the system, we use a semiclassical approach, and benchmark it against the exact quantum evolution. The aim is to understand better and characterize how the quantum device approaches a solution of an otherwise difficult to solve NP-hard problem.

Opening-assisted coherent transport in the semiclassical regime

NASA Astrophysics Data System (ADS)

Zhang, Yang; Celardo, G. Luca; Borgonovi, Fausto; Kaplan, Lev

2017-02-01

We study quantum enhancement of transport in open systems in the presence of disorder and dephasing. Quantum coherence effects may significantly enhance transport in open systems even in the semiclassical regime (where the decoherence rate is greater than the intersite hopping amplitude), as long as the disorder is sufficiently strong. When the strengths of disorder and dephasing are fixed, there is an optimal opening strength at which the coherent transport enhancement is optimized. Analytic results are obtained in two simple paradigmatic tight-binding models of large systems: the linear chain and the fully connected network. The physical behavior is also reflected in the Fenna-Matthews-Olson (FMO) photosynthetic complex, which may be viewed as intermediate between these paradigmatic models.

NMR lineshape equations for hindered methyl group: a comparison of the semi-classical and quantum mechanical models

NASA Astrophysics Data System (ADS)

Bernatowicz, P.; Szymański, S.

2003-09-01

The semiclassical and quantum mechanical NMR lineshape equations for a hindered methyl group are compared. In both the approaches, the stochastic dynamics can be interpreted in terms of a progressive symmetrization of the spin density matrix. However, the respective ways of achieving the same limiting symmetry can be remarkably different. From numerical lineshape simulations it is inferred that in the regime of intermediate exchange, where the conventional theory predicts occurrence of a single Lorentzian, the actual spectrum can have nontrivial features. This observation may open new perspectives in the search for nonclassical effects in the stochastic behavior of methyl groups in liquid-phase NMR.

On the Anticipatory Aspects of the Four Interactions: what the Known Classical and Semi-Classical Solutions Teach us

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lusanna, Luca

2004-08-19

The four (electro-magnetic, weak, strong and gravitational) interactions are described by singular Lagrangians and by Dirac-Bergmann theory of Hamiltonian constraints. As a consequence a subset of the original configuration variables are gauge variables, not determined by the equations of motion. Only at the Hamiltonian level it is possible to separate the gauge variables from the deterministic physical degrees of freedom, the Dirac observables, and to formulate a well posed Cauchy problem for them both in special and general relativity. Then the requirement of causality dictates the choice of retarded solutions at the classical level. However both the problems of themore » classical theory of the electron, leading to the choice of (1/2) (retarded + advanced) solutions, and the regularization of quantum field theory, leading to the Feynman propagator, introduce anticipatory aspects. The determination of the relativistic Darwin potential as a semi-classical approximation to the Lienard-Wiechert solution for particles with Grassmann-valued electric charges, regularizing the Coulomb self-energies, shows that these anticipatory effects live beyond the semi-classical approximation (tree level) under the form of radiative corrections, at least for the electro-magnetic interaction.Talk and 'best contribution' at The Sixth International Conference on Computing Anticipatory Systems CASYS'03, Liege August 11-16, 2003.« less

Stochastic Gravity: Theory and Applications.

PubMed

Hu, Bei Lok; Verdaguer, Enric

2004-01-01

Whereas semiclassical gravity is based on the semiclassical Einstein equation with sources given by the expectation value of the stress-energy tensor of quantum fields, stochastic semiclassical gravity is based on the Einstein-Langevin equation, which has in addition sources due to the noise kernel. The noise kernel is the vacuum expectation value of the (operatorvalued) stress-energy bi-tensor which describes the fluctuations of quantum matter fields in curved spacetimes. In the first part, we describe the fundamentals of this new theory via two approaches: the axiomatic and the functional. The axiomatic approach is useful to see the structure of the theory from the framework of semiclassical gravity, showing the link from the mean value of the stress-energy tensor to their correlation functions. The functional approach uses the Feynman-Vernon influence functional and the Schwinger-Keldysh closed-time-path effective action methods which are convenient for computations. It also brings out the open systems concepts and the statistical and stochastic contents of the theory such as dissipation, fluctuations, noise, and decoherence. We then focus on the properties of the stress-energy bi-tensor. We obtain a general expression for the noise kernel of a quantum field defined at two distinct points in an arbitrary curved spacetime as products of covariant derivatives of the quantum field's Green function. In the second part, we describe three applications of stochastic gravity theory. First, we consider metric perturbations in a Minkowski spacetime. We offer an analytical solution of the Einstein-Langevin equation and compute the two-point correlation functions for the linearized Einstein tensor and for the metric perturbations. Second, we discuss structure formation from the stochastic gravity viewpoint, which can go beyond the standard treatment by incorporating the full quantum effect of the inflaton fluctuations. Third, we discuss the backreaction of Hawking radiation in the gravitational background of a quasi-static black hole (enclosed in a box). We derive a fluctuation-dissipation relation between the fluctuations in the radiation and the dissipative dynamics of metric fluctuations.

Tunable axial gauge fields in engineered Weyl semimetals: semiclassical analysis and optical lattice implementations

NASA Astrophysics Data System (ADS)

Roy, Sthitadhi; Kolodrubetz, Michael; Goldman, Nathan; Grushin, Adolfo G.

2018-04-01

In this work, we describe a toolbox to realize and probe synthetic axial gauge fields in engineered Weyl semimetals. These synthetic electromagnetic fields, which are sensitive to the chirality associated with Weyl nodes, emerge due to spatially and temporally dependent shifts of the corresponding Weyl momenta. First, we introduce two realistic models, inspired by recent cold-atom developments, which are particularly suitable for the exploration of these synthetic axial gauge fields. Second, we describe how to realize and measure the effects of such axial fields through center-of-mass observables, based on semiclassical equations of motion and exact numerical simulations. In particular, we suggest realistic protocols to reveal an axial Hall response due to the axial electric field \

Geometry of magnetic rotational (MR) band-crossing phenomenon in MR bands

NASA Astrophysics Data System (ADS)

Devi, K. Rojeeta; Kumar, Suresh; Palit, R.

2018-07-01

A semiclassical (SC) approach is proposed to calculate the B( M1) transition rates in the band-crossing region of two magnetic rotational (MR) bands. In the present work, a geometry is suggested for the shear blades to govern its behaviour during the band-crossing. In the crossing region, gradual alignment of two nucleons is responsible for the crossing behaviour and it must give a quantised resultant angular momentum. As an example, it is successfully implemented for the MR bands in the mass A=110 and A=200 regions. A good agreement of the present semiclassical calculations with the experimental values is presented and furthermore, it is seen that the present proposal is also helpful to see the core contribution in the MR phenomenon.

Heisenberg limit for displacements with semiclassical states

NASA Astrophysics Data System (ADS)

Luis, Alfredo

2004-04-01

We analyze the quantum limit to the sensitivity of the detection of small displacements. We focus on the case of free particles and harmonic oscillators as the systems experiencing the displacement. We show that the minimum displacement detectable is proportional to the inverse of the square root of the mean value of the energy in the state experiencing the displacement (Heisenberg limit). We present a measuring scheme that reaches this limit using semiclassical states. We examine the performance of this strategy under realistic practical conditions by computing the effect of imperfections such as losses and nonunit detection efficiencies. This analysis confirms the robustness of this measuring strategy by showing that the experimental imperfections can be suitably compensated by increasing the mean energy of the input state.

Extended generalized geometry and a DBI-type effective action for branes ending on branes

NASA Astrophysics Data System (ADS)

Jurčo, Branislav; Schupp, Peter; Vysoký, Jan

2014-08-01

Starting from the Nambu-Goto bosonic membrane action, we develop a geometric description suitable for p-brane backgrounds. With tools of generalized geometry we derive the pertinent generalization of the string open-closed relations to the p-brane case. Nambu-Poisson structures are used in this context to generalize the concept of semi-classical noncommutativity of D-branes governed by a Poisson tensor. We find a natural description of the correspondence of recently proposed commutative and noncommutative versions of an effective action for p-branes ending on a p '-brane. We calculate the power series expansion of the action in background independent gauge. Leading terms in the double scaling limit are given by a generalization of a (semi-classical) matrix model.

Hybrid Semiclassical Theory of Quantum Quenches in One-Dimensional Systems

NASA Astrophysics Data System (ADS)

Moca, Cǎtǎlin Paşcu; Kormos, Márton; Zaránd, Gergely

2017-09-01

We develop a hybrid semiclassical method to study the time evolution of one-dimensional quantum systems in and out of equilibrium. Our method handles internal degrees of freedom completely quantum mechanically by a modified time-evolving block decimation method while treating orbital quasiparticle motion classically. We can follow dynamics up to time scales well beyond the reach of standard numerical methods to observe the crossover between preequilibrated and locally phase equilibrated states. As an application, we investigate the quench dynamics and phase fluctuations of a pair of tunnel-coupled one-dimensional Bose condensates. We demonstrate the emergence of soliton-collision-induced phase propagation, soliton-entropy production, and multistep thermalization. Our method can be applied to a wide range of gapped one-dimensional systems.

Nonclassical and semiclassical para-Bose states

NASA Astrophysics Data System (ADS)

Huerta Alderete, C.; Villanueva Vergara, Liliana; Rodríguez-Lara, B. M.

2017-04-01

Motivated by the proposal to simulate para-Bose oscillators in a trapped-ion setup [C. Huerta Alderete and B. M. Rodríguez-Lara, Phys. Rev. A 95, 013820 (2017), 10.1103/PhysRevA.95.013820], we introduce an overcomplete, nonorthogonal basis for para-Bose Hilbert spaces. The states spanning these bases can be experimentally realized in the trapped-ion simulation via time evolution. The para-Bose states show both nonclassical and semiclassical statistics on their Fock state distribution, asymmetric field quadrature variances, and do not minimize the uncertainty relation for the field quadratures. These properties are analytically controlled by the para-Bose order and the evolution time; both parameters might be feasible for fine tuning in the trapped-ion quantum simulation.

Statistics of time delay and scattering correlation functions in chaotic systems. II. Semiclassical approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Novaes, Marcel

2015-06-15

We consider S-matrix correlation functions for a chaotic cavity having M open channels, in the absence of time-reversal invariance. Relying on a semiclassical approximation, we compute the average over E of the quantities Tr[S{sup †}(E − ϵ) S(E + ϵ)]{sup n}, for general positive integer n. Our result is an infinite series in ϵ, whose coefficients are rational functions of M. From this, we extract moments of the time delay matrix Q = − iħS{sup †}dS/dE and check that the first 8 of them agree with the random matrix theory prediction from our previous paper [M. Novaes, J. Math. Phys.more » 56, 062110 (2015)].« less

Quantum and semiclassical physics behind ultrafast optical nonlinearity in the midinfrared: the role of ionization dynamics within the field half cycle.

PubMed

Serebryannikov, E E; Zheltikov, A M

2014-07-25

Ultrafast ionization dynamics within the field half cycle is shown to be the key physical factor that controls the properties of optical nonlinearity as a function of the carrier wavelength and intensity of a driving laser field. The Schrödinger-equation analysis of a generic hydrogen quantum system reveals universal tendencies in the wavelength dependence of optical nonlinearity, shedding light on unusual properties of optical nonlinearities in the midinfrared. For high-intensity low-frequency fields, free-state electrons are shown to dominate over bound electrons in the overall nonlinear response of a quantum system. In this regime, semiclassical models are shown to offer useful insights into the physics behind optical nonlinearity.

Toward simulating complex systems with quantum effects

NASA Astrophysics Data System (ADS)

Kenion-Hanrath, Rachel Lynn

Quantum effects like tunneling, coherence, and zero point energy often play a significant role in phenomena on the scales of atoms and molecules. However, the exact quantum treatment of a system scales exponentially with dimensionality, making it impractical for characterizing reaction rates and mechanisms in complex systems. An ongoing effort in the field of theoretical chemistry and physics is extending scalable, classical trajectory-based simulation methods capable of capturing quantum effects to describe dynamic processes in many-body systems; in the work presented here we explore two such techniques. First, we detail an explicit electron, path integral (PI)-based simulation protocol for predicting the rate of electron transfer in condensed-phase transition metal complex systems. Using a PI representation of the transferring electron and a classical representation of the transition metal complex and solvent atoms, we compute the outer sphere free energy barrier and dynamical recrossing factor of the electron transfer rate while accounting for quantum tunneling and zero point energy effects. We are able to achieve this employing only a single set of force field parameters to describe the system rather than parameterizing along the reaction coordinate. Following our success in describing a simple model system, we discuss our next steps in extending our protocol to technologically relevant materials systems. The latter half focuses on the Mixed Quantum-Classical Initial Value Representation (MQC-IVR) of real-time correlation functions, a semiclassical method which has demonstrated its ability to "tune'' between quantum- and classical-limit correlation functions while maintaining dynamic consistency. Specifically, this is achieved through a parameter that determines the quantumness of individual degrees of freedom. Here, we derive a semiclassical correction term for the MQC-IVR to systematically characterize the error introduced by different choices of simulation parameters, and demonstrate the ability of this approach to optimize MQC-IVR simulations.

Investigation of Kp- and Kd-atom formation and their collisional processes with hydrogen and deuterium targets by the classical-trajectory Monte Carlo method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raeisi, G. M.; Department of Physics, Shahrekord University, Shahrekord 115; Kalantari, S. Z.

The classical-trajectory Monte Carlo method has been used to study the capture of negative kaons by hydrogen and deuterium atoms; subsequently, the elastic scattering, Stark mixing, and Coulomb deexcitation cross sections of Kp and Kd atoms have been determined. The results for kaonic atom formation confirm the initial conditions that have been parametrically applied by most atomic cascade models. Our results show that Coulomb deexcitation in Kp and Kd atoms with {Delta}n>1 is important in addition to n=1. We have shown that the contribution of molecular structure effects to the cross sections of the collisional processes is larger than themore » isotopic effects of the targets. We have also compared our results with the semiclassical approaches.« less

Behavior of Tachyon in String Cosmology Based on Gauged WZW Model

NASA Astrophysics Data System (ADS)

Lee, Sunggeun; Nam, Soonkeon

We investigate a string theoretic cosmological model in the context of the gauged Wess-Zumino-Witten model. Our model is based on a product of non-compact coset space and a spectator flat space; [SL(2, R)/U(1)]k × ℝ2. We extend the formerly studied semiclassical consideration with infinite Kac-Moody level k to a finite one. In this case, the tachyon field appears in the effective action, and we solve the Einstein equation to determine the behavior of tachyon as a function of time. We find that tachyon field dominates over dilaton field in early times. In particular, we consider the energy conditions of the matter fields consisting of the dilaton and the tachyon which affect the initial singularity. We find that not only the strong energy but also the null energy condition is violated.

Experimental demonstration of entanglement-assisted coding using a two-mode squeezed vacuum state

NASA Astrophysics Data System (ADS)

Mizuno, Jun; Wakui, Kentaro; Furusawa, Akira; Sasaki, Masahide

2005-01-01

We have experimentally realized the scheme initially proposed as quantum dense coding with continuous variables [

Discrete sudden perturbation theory for inelastic scattering. I. Quantum and semiclassical treatment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cross, R.J.

1985-12-01

A double perturbation theory is constructed to treat rotationally and vibrationally inelastic scattering. It uses both the elastic scattering from the spherically averaged potential and the infinite-order sudden (IOS) approximation as the unperturbed solutions. First, a standard perturbation expansion is done to express the radial wave functions in terms of the elastic wave functions. The resulting coupled equations are transformed to the discrete-variable representation where the IOS equations are diagonal. Then, the IOS solutions are removed from the equations which are solved by an exponential perturbation approximation. The results for Ar+N/sub 2/ are very much more accurate than the IOSmore » and somewhat more accurate than a straight first-order exponential perturbation theory. The theory is then converted into a semiclassical, time-dependent form by using the WKB approximation. The result is an integral of the potential times a slowly oscillating factor over the classical trajectory. A method of interpolating the result is given so that the calculation is done at the average velocity for a given transition. With this procedure, the semiclassical version of the theory is more accurate than the quantum version and very much faster. Calculations on Ar+N/sub 2/ show the theory to be much more accurate than the infinite-order sudden (IOS) approximation and the exponential time-dependent perturbation theory.« less

The curious incident of multi-instantons and the necessity of Lefschetz thimbles

DOE PAGES

Behtash, Alireza; Poppitz, Erich; Sulejmanpasic, Tin; ...

2015-11-25

Here, we smore » how that compatibility of supersymmetry with exact semi-classics demands that in calculating multi-instanton amplitudes, the “separation” quasi-zeromode must be complexified and the integration cycles must be found by using complex gradient flow (or Picard-Lefschetz equations.) As a non-trivial application, we study N = 2 extended supersymmetric quantum mechanics. Even though in this case supersymmetry is unbroken, the instanton-anti-instanton amplitude (naively calculated) seems to contribute to the ground state energy. We show, however, that the instanton-anti-instanton event consists of two parts: a fermion-correlated and a scalar-correlated event. Although both of these contributions are naively of the same sign and the latter is superficially higher order in the perturbative coupling, we show that the two contributions exactly cancel when they are evaluated on Lefschetz thimbles due to their relative Hidden Topological Angles (HTAs). This gives strong evidence that the semi-classical expansion using Lefschetz thimbles is not only a meaningful prescription for higher order semi-classics, but a necessary one. This deduction seems to be universal and applicable to both supersymmetric and non-supersymmetric theories. In conclusion we speculate that similar conspiracies are responsible for the non-formation of certain molecular contributions in theories where instantons have more than two fermionic zeromodes and do not contribute to the superpotential.« less

Asymptotics of quantum weighted Hurwitz numbers

NASA Astrophysics Data System (ADS)

Harnad, J.; Ortmann, Janosch

2018-06-01

This work concerns both the semiclassical and zero temperature asymptotics of quantum weighted double Hurwitz numbers. The partition function for quantum weighted double Hurwitz numbers can be interpreted in terms of the energy distribution of a quantum Bose gas with vanishing fugacity. We compute the leading semiclassical term of the partition function for three versions of the quantum weighted Hurwitz numbers, as well as lower order semiclassical corrections. The classical limit is shown to reproduce the simple single and double Hurwitz numbers studied by Okounkov and Pandharipande (2000 Math. Res. Lett. 7 447–53, 2000 Lett. Math. Phys. 53 59–74). The KP-Toda τ-function that serves as generating function for the quantum Hurwitz numbers is shown to have the τ-function of Okounkov and Pandharipande (2000 Math. Res. Lett. 7 447–53, 2000 Lett. Math. Phys. 53 59–74) as its leading term in the classical limit, and, with suitable scaling, the same holds for the partition function, the weights and expectations of Hurwitz numbers. We also compute the zero temperature limit of the partition function and quantum weighted Hurwitz numbers. The KP or Toda τ-function serving as generating function for the quantum Hurwitz numbers are shown to give the one for Belyi curves in the zero temperature limit and, with suitable scaling, the same holds true for the partition function, the weights and the expectations of Hurwitz numbers.

Semiclassical transport in nearly symmetric quantum dots. I. Symmetry breaking in the dot.

PubMed

Whitney, Robert S; Schomerus, Henning; Kopp, Marten

2009-11-01

We apply the semiclassical theory of transport to quantum dots with exact and approximate spatial symmetries; left-right mirror symmetry, up-down mirror symmetry, inversion symmetry, or fourfold symmetry. In this work-the first of a pair of articles-we consider (a) perfectly symmetric dots and (b) nearly symmetric dots in which the symmetry is broken by the dot's internal dynamics. The second article addresses symmetry-breaking by displacement of the leads. Using semiclassics, we identify the origin of the symmetry-induced interference effects that contribute to weak localization corrections and universal conductance fluctuations. For perfect spatial symmetry, we recover results previously found using the random-matrix theory conjecture. We then go on to show how the results are affected by asymmetries in the dot, magnetic fields, and decoherence. In particular, the symmetry-asymmetry crossover is found to be described by a universal dependence on an asymmetry parameter gamma_{asym} . However, the form of this parameter is very different depending on how the dot is deformed away from spatial symmetry. Symmetry-induced interference effects are completely destroyed when the dot's boundary is globally deformed by less than an electron wavelength. In contrast, these effects are only reduced by a finite amount when a part of the dot's boundary smaller than a lead-width is deformed an arbitrarily large distance.

Semiclassical dynamics of spin density waves

NASA Astrophysics Data System (ADS)

Chern, Gia-Wei; Barros, Kipton; Wang, Zhentao; Suwa, Hidemaro; Batista, Cristian D.

2018-01-01

We present a theoretical framework for equilibrium and nonequilibrium dynamical simulation of quantum states with spin-density-wave (SDW) order. Within a semiclassical adiabatic approximation that retains electron degrees of freedom, we demonstrate that the SDW order parameter obeys a generalized Landau-Lifshitz equation. With the aid of an enhanced kernel polynomial method, our linear-scaling quantum Landau-Lifshitz dynamics (QLLD) method enables dynamical SDW simulations with N ≃105 lattice sites. Our real-space formulation can be used to compute dynamical responses, such as the dynamical structure factor, of complex and even inhomogeneous SDW configurations at zero or finite temperatures. Applying the QLLD to study the relaxation of a noncoplanar topological SDW under the excitation of a short pulse, we further demonstrate the crucial role of spatial correlations and fluctuations in the SDW dynamics.

Semi-classical approach to transitionless quantum driving: Explicitness and Locality

NASA Astrophysics Data System (ADS)

Loewe, Benjamin; Hipolito, Rafael; Goldbart, Paul M.

Berry has shown that, via a reverse engineering strategy, non-adiabatic transitions in time-dependent quantum systems can be stifled through the introduction of a specific auxiliary hamiltonian. This hamiltonian comes, however, expressed as a formal sum of outer products of the original instantaneous eigenstates and their time-derivatives. Generically, how to create such an operator in the laboratory is thus not evident. Furthermore, the operator may be non- local. By following a semi-classical approach, we obtain a recipe that yields the auxiliary hamiltonian explicitly in terms of the fundamental operators of the system (e.g., position and momentum). By using this formalism, we are able to ascertain criteria for the locality of the auxiliary hamiltonian, and also to determine its exact form in certain special cases.

Quantum theory of the far-off-resonance continuous-wave Raman laser: Heisenberg-Langevin approach

NASA Astrophysics Data System (ADS)

Roos, P. A.; Murphy, S. K.; Meng, L. S.; Carlsten, J. L.; Ralph, T. C.; White, A. G.; Brasseur, J. K.

2003-07-01

We present the quantum theory of the far-off-resonance continuous-wave Raman laser using the Heisenberg-Langevin approach. We show that the simplified quantum Langevin equations for this system are mathematically identical to those of the nondegenerate optical parametric oscillator in the time domain with the following associations: pump ↔ pump, Stokes ↔ signal, and Raman coherence ↔ idler. We derive analytical results for both the steady-state behavior and the time-dependent noise spectra, using standard linearization procedures. In the semiclassical limit, these results match with previous purely semiclassical treatments, which yield excellent agreement with experimental observations. The analytical time-dependent results predict perfect photon statistics conversion from the pump to the Stokes and nonclassical behavior under certain operational conditions.

On the total bandwidth for the rational Harper's equation

NASA Astrophysics Data System (ADS)

Helffer, Bernard; Kerdelhué, Phillippe

1995-10-01

In the last years several contributions have been done around the total bandwidth of the spectrum for the Harper's operator. In particular an interesting conjecture has been proposed by Thouless which gives also strong convincing arguments for the proof in special cases. On the other hand, in the study of the Cantor structure of the spectrum, B. Helffer and J. Sjöstrand have justified an heuristic semiclassical approach proposed by M. Wilkinson. The aim of this article is to explain how one can use the first step of this approach to give a rigorous semi-classical proof of the Thouless formula in some of the simplest cases. We shall also indicate how one can hope with more effort to prove rigorously recent results of Last and Wilkinson on the same conjecture.

Semiclassical theory of Hall viscosity

NASA Astrophysics Data System (ADS)

Biswas, Rudro

2014-03-01

Hall viscosity is an intriguing stress response in quantum Hall systems and is predicted to be observable via the conductivity in an inhomogeneous electric field. This has been studied extensively using a range of techniques, such as adiabatic transport, effective field theories, and Kubo formulae. All of these are, however, agnostic as to the distinction between strongly correlated quantum Hall states and non-interacting ones, where the effect arises due to the fundamental non-commuting nature of velocities and orbit positions in a magnetic field. In this talk I shall develop the semiclassical theory of quantized cyclotron orbits drifting in an applied inhomogeneous electric field and use it to provide a clear physical picture of how single particle properties in a magnetic field contribute to the Hall viscosity-dependence of the conductivity.

Principle of least decoherence for Newtonian semiclassical gravity

NASA Astrophysics Data System (ADS)

Tilloy, Antoine; Diósi, Lajos

2017-11-01

Recent works have proved that semiclassical theories of gravity needed not be fundamentally inconsistent, at least in the Newtonian regime. Using the machinery of continuous measurement theory and feedback, it was shown that one could construct well-behaved models of hybrid quantum-classical dynamics at the price of an imposed (nonunique) decoherence structure. We introduce a principle of least decoherence (PLD) which allows us to naturally single out a unique model from all the available options; up to some unspecified short distance regularization scale. Interestingly, the resulting model is found to coincide with the old—erstwhile only heuristically motivated—proposal of Penrose and one of us for gravity-related spontaneous decoherence and collapse. Finally, this paper suggests that it is in the submillimeter behavior of gravity that new phenomena might be found.

Quantum Chaos

NASA Astrophysics Data System (ADS)

Casati, Giulio; Chirikov, Boris

2006-11-01

Preface; Acknowledgments; Introduction: 1. The legacy of chaos in quantum mechanics G. Casati and B. V. Chirikov; Part I. Classical Chaos and Quantum Localization: 2. Stochastic behaviour of a quantum pendulum under a periodic perturbation G. Casati, B. V. Chirikov, F. M. Izrailev and J. Ford; 3. Quantum dynamics of a nonintegrable system D. R. Grempel, R. E. Prange and S. E. Fishman; 4. Excitation of molecular rotation by periodic microwave pulses. A testing ground for Anderson localization R. Blümel, S. Fishman and U. Smilansky; 5. Localization of diffusive excitation in multi-level systems D. K. Shepelyansky; 6. Classical and quantum chaos for a kicked top F. Haake, M. Kus and R. Scharf; 7. Self-similarity in quantum dynamics L. E. Reichl and L. Haoming; 8. Time irreversibility of classically chaotic quantum dynamics K. Ikeda; 9. Effect of noise on time-dependent quantum chaos E. Ott, T. M. Antonsen Jr and J. D. Hanson; 10. Dynamical localization, dissipation and noise R. F. Graham; 11. Maximum entropy models and quantum transmission in disordered systems J.-L. Pichard and M. Sanquer; 12. Solid state 'atoms' in intense oscillating fields M. S. Sherwin; Part II. Atoms in Strong Fields: 13. Localization of classically chaotic diffusion for hydrogen atoms in microwave fields J. E. Bayfield, G. Casati, I. Guarneri and D. W. Sokol; 14. Inhibition of quantum transport due to 'scars' of unstable periodic orbits R. V. Jensen, M. M. Sanders, M. Saraceno and B. Sundaram; 15. Rubidium Rydberg atoms in strong fields G. Benson, G. Raithel and H. Walther; 16. Diamagnetic Rydberg atom: confrontation of calculated and observed spectra C.-H. Iu, G. R. Welch, M. M. Kash, D. Kleppner, D. Delande and J. C. Gay; 17. Semiclassical approximation for the quantum states of a hydrogen atom in a magnetic field near the ionization limit M. Y. Kuchiev and O. P. Sushkov; 18. The semiclassical helium atom D. Wintgen, K. Richter and G. Tanner; 19. Stretched helium: a model for quantum chaos in two-electron atoms R. Blümel and W. P. Reinhardt; Part III. Semiclassical Approximations: 20. Semiclassical theory of spectral rigidity M. V. Berry; 21. Semiclassical structure of trace formulas R. G. Littlejohn; 22. h-Expansion for quantum trace formulas P. Gaspard; 23. Pinball scattering B. Eckhardt, G. Russberg, P. Cvitanovic, P. E. Rosenqvist and P. Scherer; 24. Logarithm breaking time in quantum chaos G. P. Berman and G. M. Zaslavsky; 25. Semiclassical propagation: how long can it last? M. A. Sepulveda, S. Tomsovic and E. J. Heller; 26. The quantized Baker's transformation N. L. Balazs and A. Voros; 27. Classical structures in the quantized baker transformation M. Saraceno; 28. Quantum nodal points as fingerprints of classical chaos P. Leboeuf and A. Voros; 29. Chaology of action billiards A. M. Ozorio de Almeida and M. A. M. de Aguiar; Part IV. Level Statistics and Random Matrix Theory: 30. Characterization of chaotic quantum spectra and universality of level fluctuation laws O. Bohigas, M. J. Giannono, and C. Schmit; 31. Quantum chaos, localization and band random matrices F. M. Izrailev; 32. Structural invariance in channel space: a step toward understanding chaotic scattering in quantum mechanics T. H. Seligman; 33. Spectral properties of a Fermi accelerating disk R. Badrinarayanan and J. J. José; 34. Spectral properties of systems with dynamical localization T. Dittrich and U. Smilansky; 35. Unbound quantum diffusion and fractal spectra T. Geisel, R. Ketzmerick and G. Petschel; 36. Microwave studies in irregularly shaped billiards H.-J. Stöckmann, J. Stein and M. Kollman; Index.

Quantum Chaos

NASA Astrophysics Data System (ADS)

Casati, Giulio; Chirikov, Boris

1995-04-01

Preface; Acknowledgments; Introduction: 1. The legacy of chaos in quantum mechanics G. Casati and B. V. Chirikov; Part I. Classical Chaos and Quantum Localization: 2. Stochastic behaviour of a quantum pendulum under a periodic perturbation G. Casati, B. V. Chirikov, F. M. Izrailev and J. Ford; 3. Quantum dynamics of a nonintegrable system D. R. Grempel, R. E. Prange and S. E. Fishman; 4. Excitation of molecular rotation by periodic microwave pulses. A testing ground for Anderson localization R. Blümel, S. Fishman and U. Smilansky; 5. Localization of diffusive excitation in multi-level systems D. K. Shepelyansky; 6. Classical and quantum chaos for a kicked top F. Haake, M. Kus and R. Scharf; 7. Self-similarity in quantum dynamics L. E. Reichl and L. Haoming; 8. Time irreversibility of classically chaotic quantum dynamics K. Ikeda; 9. Effect of noise on time-dependent quantum chaos E. Ott, T. M. Antonsen Jr and J. D. Hanson; 10. Dynamical localization, dissipation and noise R. F. Graham; 11. Maximum entropy models and quantum transmission in disordered systems J.-L. Pichard and M. Sanquer; 12. Solid state 'atoms' in intense oscillating fields M. S. Sherwin; Part II. Atoms in Strong Fields: 13. Localization of classically chaotic diffusion for hydrogen atoms in microwave fields J. E. Bayfield, G. Casati, I. Guarneri and D. W. Sokol; 14. Inhibition of quantum transport due to 'scars' of unstable periodic orbits R. V. Jensen, M. M. Sanders, M. Saraceno and B. Sundaram; 15. Rubidium Rydberg atoms in strong fields G. Benson, G. Raithel and H. Walther; 16. Diamagnetic Rydberg atom: confrontation of calculated and observed spectra C.-H. Iu, G. R. Welch, M. M. Kash, D. Kleppner, D. Delande and J. C. Gay; 17. Semiclassical approximation for the quantum states of a hydrogen atom in a magnetic field near the ionization limit M. Y. Kuchiev and O. P. Sushkov; 18. The semiclassical helium atom D. Wintgen, K. Richter and G. Tanner; 19. Stretched helium: a model for quantum chaos in two-electron atoms R. Blümel and W. P. Reinhardt; Part III. Semiclassical Approximations: 20. Semiclassical theory of spectral rigidity M. V. Berry; 21. Semiclassical structure of trace formulas R. G. Littlejohn; 22. h-Expansion for quantum trace formulas P. Gaspard; 23. Pinball scattering B. Eckhardt, G. Russberg, P. Cvitanovic, P. E. Rosenqvist and P. Scherer; 24. Logarithm breaking time in quantum chaos G. P. Berman and G. M. Zaslavsky; 25. Semiclassical propagation: how long can it last? M. A. Sepulveda, S. Tomsovic and E. J. Heller; 26. The quantized Baker's transformation N. L. Balazs and A. Voros; 27. Classical structures in the quantized baker transformation M. Saraceno; 28. Quantum nodal points as fingerprints of classical chaos P. Leboeuf and A. Voros; 29. Chaology of action billiards A. M. Ozorio de Almeida and M. A. M. de Aguiar; Part IV. Level Statistics and Random Matrix Theory: 30. Characterization of chaotic quantum spectra and universality of level fluctuation laws O. Bohigas, M. J. Giannono, and C. Schmit; 31. Quantum chaos, localization and band random matrices F. M. Izrailev; 32. Structural invariance in channel space: a step toward understanding chaotic scattering in quantum mechanics T. H. Seligman; 33. Spectral properties of a Fermi accelerating disk R. Badrinarayanan and J. J. José; 34. Spectral properties of systems with dynamical localization T. Dittrich and U. Smilansky; 35. Unbound quantum diffusion and fractal spectra T. Geisel, R. Ketzmerick and G. Petschel; 36. Microwave studies in irregularly shaped billiards H.-J. Stöckmann, J. Stein and M. Kollman; Index.

Quasiparticle motion in some classical and quantum mechanical systems: Investigations of nanoscale friction and polaron mobility

NASA Astrophysics Data System (ADS)

Tiwari, Mukesh

In this thesis, we investigate some topics of transport in classical and quantum systems. The classical system under study is related to friction at the nanoscale. The first model we consider is that of a dimer moving on a 1-dimensional periodic substrate; we study the role of an internal channel of dissipation on the effective damping experienced by the dimer during its motion. With the view that understanding of the processes at the microscopic scale can shed some light on the origin of frictional forces, we undertake a systematic study of the scattering of a free particle by a harmonic oscillator. This study starts from a Hamiltonian description of the system, without any phenomenological damping. The dissipation in this system results from an exchange of energy between the particle and the oscillator when they are in close proximity. This classical scattering problem becomes chaotic as a result of exchange of energy. We present, in detail, a study of the chaotic scattering process for an initially static oscillator. In the case of an initially excited oscillator, extraction of information about the chaotic set requires the construction of Smale horseshoe on an appropriate Poincare surface of section. A discussion on the construction of this chaotic invariant set is also provided in this thesis. Interacting quasiparticle-boson systems form an important part of condensed matter physics. Various approximation schemes are often employed in the study of these systems. In order to understand the response of a quasi-particle to externally applied electric fields, we study in the second part of this thesis, the 2-site quantum dimer under the semiclassical approximation. The role of initial phases and effects of resonance between phonon frequency and the frequency due to the Stark splitting of states is investigated. This thesis also contains discussions regarding the frequency response of both degenerate and nondegenerate adiabatic semiclassical models and self-trapping observed in these systems. A review of the derivation of the generalized master equation and the relationship of the memory function to bath spectra is also provided. The formal theory is then applied to the 2-site nondegenerate quantum mechanical polaron model and the effect of a constant electric field on the evolution is studied both in the short and long time limit. The role of temperature and of coupling to the bath on the spectrum, and ultimately on the evolution, are also discussed.

Cauchy problem in spacetimes with closed timelike curves

NASA Astrophysics Data System (ADS)

Friedman, John; Morris, Michael S.; Novikov, Igor D.; Echeverria, Fernando; Klinkhammer, Gunnar; Thorne, Kip S.; Yurtsever, Ulvi

1990-09-01

The laws of physics might permit the existence, in the real Universe, of closed timelike curves (CTC's). Macroscopic CTC's might be a semiclassical consequence of Planck-scale, quantum gravitational, Lorentzian foam, if such foam exists. If CTC's are permitted, then the semiclassical laws of physics (the laws with gravity classical and other fields quantized or classical) should be augmented by a principle of self-consistency, which states that a local solution to the equations of physics can occur in the real Universe only if it can be extended to be part of a global solution, one which is well defined throughout the (nonsingular regions of) classical spacetime. The consequences of this principle are explored for the Cauchy problem of the evolution of a classical, massless scalar field Φ (satisfying □Φ=0) in several model spacetimes with CTC's. In general, self-consistency constrains the initial data for the field Φ. For a family of spacetimes with traversible wormholes, which initially possess no CTC's and then evolve them to the future of a stable Cauchy horizon scrH, self-consistency seems to place no constraints on initial data for Φ that are posed on past null infinity, and none on data posed on spacelike slices which precede scrH. By contrast, initial data posed in the future of scrH, where the CTC's reside, are constrained; but the constraints appear to be mild in the sense that in some neighborhood of every event one is free to specify initial data arbitrarily, with the initial data elsewhere being adjusted to guarantee self-consistent evolution. A spacetime whose self-consistency constraints have this property is defined to be ``benign with respect to the scalar field Φ.'' The question is posed as to whether benign spacetimes in some sense form a generic subset of all spacetimes with CTC's. It is shown that in the set of flat, spatially and temporally closed, 2-dimensional spacetimes the benign ones are not generic. However, it seems likely that every 4-dimensional, asymptotically flat space-time that is stable and has a topology of the form R×(S-one point), where S is a closed 3-manifold, is benign. Wormhole spacetimes are of this type, with S=S1×S2. We suspect that these types of self-consistency behavior of the scalar field Φ are typical for noninteracting (linearly superposing), classical fields. However, interacting classical systems can behave quite differently, as is demonstrated by a study of the motion of a hard-sphere billiard ball in a wormhole spacetime with closed timelike curves: If the ball is classical, then some choices of initial data (some values of the ball's initial position and velocity) give rise to unique, self-consistent motions of the ball; other choices produce two different self-consistent motions; and others might (but we are not yet sure) produce no self-consistent motions whatsoever. By contrast, in a path-integral formulation of the nonrelativistic quantum mechanics of such a billiard ball, there appears to be a unique, self-consistent set of probabilities for the outcomes of all measurements. This paper's conclusion, that CTC's may not be as nasty as people have assumed, is reinforced by the fact that they do not affect Gauss's theorem and thus do not affect the derivation of global conservation laws from differential ones. The standard conservation laws remain valid globally, and in asymptotically flat, wormhole spacetimes they retain a natural, quasilocal interpretation.

Two-proton pickup studies with the (6Li,8B) reaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weisenmiller, R.B.

1976-12-03

The (/sup 6/Li,/sup 8/B) reaction has been investigated on targets of /sup 26/Mg, /sup 24/Mg, /sup 16/O, /sup 13/C, /sup 12/C, /sup 11/B, /sup 10/B, and /sup 9/Be at a bombarding energy of 80.0 MeV, and on targets of /sup 16/O, /sup 12/C, /sup 9/Be, /sup 7/Li, and /sup 6/Li at a bombarding energy of 93.3 MeV. Only levels consistent with direct, single-step two-proton pickup reaction mechanisms were observed to be strongly populated. On T/sub z/ = 0 targets, the spectroscopic selectivity of this reaction resembles that of the analogous (p,t) reaction. Additionally, these data demonstrate the dominance of spatiallymore » symmetric transfer of the two protons. On T/sub z/ greater than 0 targets the (/sup 6/Li,/sup 8/B) reaction was employed to locate two previously unreported levels (at 7.47 +- 0.05 MeV and 8.86 +- 0.07 MeV) in the T/sub z/ = 2 nuclide /sup 24/Ne and to establish the low-lying 1p-shell states in the T/sub z/ = /sup 3///sub 2/ nuclei /sup 11/Be, /sup 9/Li, and /sup 7/He. However, no evidence was seen for any narrow levels in the T/sub z/ = /sup 3///sub 2/ nuclide /sup 5/H nor for any narrow excited states in /sup 7/He. The angular distributions reported here are rather featureless and decrease monotonically with increasing angle. This behavior can be shown by a semi-classical reaction theory to be a consequence of the reaction kinematics. A semi-classical approach also suggests that the kinematic term in the transition matrix element is only weakly dependent upon the angular momentum transfer (which is consistent with simple Distorted Wave Born Approximation calculations). However, only qualitative agreement was obtained between the observed relative transition yields and semi-classical predictions, using the two-nucleon coefficients of fractional parentage of Cohen and Kurath, probably due to the limitations of the semi-classical reaction theory.« less

Semiclassical (qft) and Quantum (string) Rotating Black Holes and Their Evaporation:. New Results

NASA Astrophysics Data System (ADS)

Bouchareb, A.; Ramón Medrano, M.; Sánchez, N. G.

Combination of both quantum field theory (QFT) and string theory in curved backgrounds in a consistent framework, the string analogue model, allows us to provide a full picture of the Kerr-Newman black hole and its evaporation going beyond the current picture. We compute the quantum emission cross-section of strings by a Kerr-Newman black hole (KNbh). It shows the black hole emission at the Hawking temperature Tsem in the early stage of evaporation and the new string emission featuring a Hagedorn transition into a string state of temperature Ts at the last stages. New bounds on J and Q emerge in the quantum string regime (besides the known ones of the classical/semiclassical QFT regime). The last state of evaporation of a semiclassical Kerr-Newman black hole with mass M > mPl, angular momentum J and charge Q is a string state of temperature Ts, string mass Ms, J = 0 and Q = 0, decaying as usual quantum strings do into all kinds of particles. (Naturally, in this framework, there is no loss of information, (there is no paradox at all).) We compute the string entropy Ss(m, j) from the microscopic string density of states of mass m and spin mode j, ρ(m, j). (Besides the Hagedorn transition at Ts) we find for high j (extremal string states j → m2α‧c), a new phase transition at a temperature Tsj = √ {j/hbar }Ts, higher than Ts. By precisely identifying the semiclassical and quantum (string) gravity regimes, we find a new formula for the Kerr black hole entropy Ssem(M, J), as a function of the usual Bekenstein-Hawking entropy S sem(0). For M ≫ mPl and J < GM2/c, S sem(0) is the leading term, but for high angular momentum, (nearly extremal case J = GM2/c), a gravitational phase transition operates and the whole entropy Ssem is drastically different from the Bekenstein-Hawking entropy S sem(0). This new extremal black hole transition occurs at a temperature Tsem J = (J/ℏ)Tsem, higher than the Hawking temperature Tsem.

Quenches across the self-organization transition in multimode cavities

NASA Astrophysics Data System (ADS)

Keller, Tim; Torggler, Valentin; Jäger, Simon B.; Schütz, Stefan; Ritsch, Helmut; Morigi, Giovanna

2018-02-01

A cold dilute atomic gas in an optical resonator can be radiatively cooled by coherent scattering processes when the driving laser frequency is tuned close to but below the cavity resonance. When the atoms are sufficiently illuminated, their steady state undergoes a phase transition from a homogeneous distribution to a spatially organized Bragg grating. We characterize the dynamics of this self-ordering process in the semi-classical regime when distinct cavity modes with commensurate wavelengths are quasi-resonantly driven by laser fields via scattering by the atoms. The lasers are simultaneously applied and uniformly illuminate the atoms; their frequencies are chosen so that the atoms are cooled by the radiative processes, and their intensities are either suddenly switched or slowly ramped across the self-ordering transition. Numerical simulations for different ramp protocols predict that the system will exhibit long-lived metastable states, whose occurrence strongly depends on the initial temperature, ramp speed, and the number of atoms.

Tunnel determinants from spectral zeta functions. Instanton effects in quantum mechanics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Izquierdo, A. Alonso; Guilarte, J. Mateos

2014-07-23

In this paper we develop an spectral zeta function regularization procedure on the determinants of instanton fluctuation operators that describe the semi-classical order of tunnel effects between degenerate vacua.

Natural inflation from polymer quantization

NASA Astrophysics Data System (ADS)

Ali, Masooma; Seahra, Sanjeev S.

2017-11-01

We study the polymer quantization of a homogeneous massive scalar field in the early Universe using a prescription inequivalent to those previously appearing in the literature. Specifically, we assume a Hilbert space for which the scalar field momentum is well defined but its amplitude is not. This is closer in spirit to the quantization scheme of loop quantum gravity, in which no unique configuration operator exists. We show that in the semiclassical approximation, the main effect of this polymer quantization scheme is to compactify the phase space of chaotic inflation in the field amplitude direction. This gives rise to an effective scalar potential closely resembling that of hybrid natural inflation. Unlike polymer schemes in which the scalar field amplitude is well defined, the semiclassical dynamics involves a past cosmological singularity; i.e., this approach does not mitigate the big bang.

On the derivation of the semiclassical approximation to the quantum propagator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fischer, Stefan G., E-mail: stefan.fischer@physik.uni-freiburg.de; Buchleitner, Andreas

2015-07-15

In order to rigorously derive the amplitude factor of the semiclassical approximation to the quantum propagator, we extend an existing method originally devised to evaluate Gaussian path-integral expressions. Using a result which relates the determinant of symmetric block-tridiagonal matrices to the determinants of their blocks, two difference equations are obtained. The first one allows to establish the connection of the amplitude factor to Jacobi’s accessory equations in the continuous-time limit, while the second one leads to an additional factor which, however, contributes to the final result only in exceptional cases. In order to demonstrate the wide applicability of these differencemore » equations, we treat explicitly the case where the time-sliced Lagrangian is written in generalized coordinates, for which a general derivation has so far been unavailable.« less

Borel Summability of Perturbative Series in 4D N=2 and 5D N=1 Supersymmetric Theories.

PubMed

Honda, Masazumi

2016-05-27

We study weak coupling perturbative series in 4D N=2 and 5D N=1 supersymmetric gauge theories with Lagrangians. We prove that the perturbative series of these theories in the zero-instanton sector are Borel summable for various observables. Our result for the 4D N=2 case supports an expectation from a recent proposal on a semiclassical realization of infrared renormalons in QCD-like theories, where the semiclassical solution does not exist in N=2 theories and the perturbative series are unambiguous, namely, Borel summable. We also prove that the perturbative series in an arbitrary number of instanton sectors are Borel summable for a wide class of theories. It turns out that exact results can be obtained by summing over the Borel resummations with every instanton number.

Secret loss of unitarity due to the classical background

NASA Astrophysics Data System (ADS)

Yang, I.-Sheng

2017-07-01

We show that a quantum subsystem can become significantly entangled with a classical background through a process with few or no semiclassical backreactions. We study two quantum harmonic oscillators coupled to each other in a time-independent Hamiltonian. We compare it to its semiclassical approximation in which one of the oscillators is treated as the classical background. In this approximation, the remaining quantum oscillator has an effective Hamiltonian which is time-dependent, and its evolution appears to be unitary. However, in the fully quantum model, the two oscillators can entangle each other. Thus, the unitarity of either individual oscillator is never guaranteed. We derive the critical time scale after which the unitarity of either individual oscillator is irrevocably lost. In particular, we give an example that in the adiabatic limit, unitarity is lost before other relevant questions can be addressed.

Entropy production in a photovoltaic cell

NASA Astrophysics Data System (ADS)

Ansari, Mohammad H.

2017-05-01

We evaluate entropy production in a photovoltaic cell that is modeled by four electronic levels resonantly coupled to thermally populated field modes at different temperatures. We use a formalism recently proposed, the so-called multiple parallel worlds, to consistently address the nonlinearity of entropy in terms of density matrix. Our result shows that entropy production is the difference between two flows: a semiclassical flow that linearly depends on occupational probabilities, and another flow that depends nonlinearly on quantum coherence and has no semiclassical analog. We show that entropy production in the cells depends on environmentally induced decoherence time and energy detuning. We characterize regimes where reversal flow of information takes place from a cold to hot bath. Interestingly, we identify a lower bound on entropy production, which sets limitations on the statistics of dissipated heat in the cells.

Coherent and Semiclassical States of a Charged Particle in Electromagnetic Fields

NASA Astrophysics Data System (ADS)

Pereira, A. S.

2018-06-01

In the present article, we extend our study (Bagrov et al., Braz. J. Phys. 45, 369, 2015) of generalized coherent states (GCS) of a one-dimensional particle considering such important physical system as a three-dimensional charged particle in electric and magnetic fields. Constructing GCS in a many-dimensional case, we meet technical complications that make the consideration nontrivial and instructive. The GCS of the system under consideration are constructed. We study the properties of this GCS such as completeness relations, minimization of uncertainty relations, and so on. We point out which family of the obtained GCS of a charged particle in a magnetic field is related to the CS constructed first by Malkin and Man'ko. We obtain conditions under which some of the GCS can be considered as semiclassical states (SS).

Ring-polymer instanton theory of electron transfer in the nonadiabatic limit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Richardson, Jeremy O., E-mail: jeremy.richardson@fau.de

We take the golden-rule instanton method derived in the previous paper [J. O. Richardson, R. Bauer, and M. Thoss, J. Chem. Phys. 143, 134115 (2015)] and reformulate it using a ring-polymer instanton approach. This gives equations which can be used to compute the rates of electron-transfer reactions in the nonadiabatic (golden-rule) limit numerically within a semiclassical approximation. The multidimensional ring-polymer instanton trajectories are obtained efficiently by minimization of the action. In this form, comparison with Wolynes’ quantum instanton method [P. G. Wolynes, J. Chem. Phys. 87, 6559 (1987)] is possible and we show that our semiclassical approach is the steepest-descentmore » limit of this method. We discuss advantages and disadvantages of both methods and give examples of where the new approach is more accurate.« less

Coherent and Semiclassical States of a Charged Particle in Electromagnetic Fields

NASA Astrophysics Data System (ADS)

Pereira, A. S.

2018-03-01

In the present article, we extend our study (Bagrov et al., Braz. J. Phys. 45, 369, 2015) of generalized coherent states (GCS) of a one-dimensional particle considering such important physical system as a three-dimensional charged particle in electric and magnetic fields. Constructing GCS in a many-dimensional case, we meet technical complications that make the consideration nontrivial and instructive. The GCS of the system under consideration are constructed. We study the properties of this GCS such as completeness relations, minimization of uncertainty relations, and so on. We point out which family of the obtained GCS of a charged particle in a magnetic field is related to the CS constructed first by Malkin and Man'ko. We obtain conditions under which some of the GCS can be considered as semiclassical states (SS).

Experimental studies by complementary terahertz techniques and semi-classical calculations of N2- broadening coefficients of CH335Cl

NASA Astrophysics Data System (ADS)

Guinet, M.; Rohart, F.; Buldyreva, J.; Gupta, V.; Eliet, S.; Motiyenko, R. A.; Margulès, L.; Cuisset, A.; Hindle, F.; Mouret, G.

2012-07-01

Room-temperature N2-broadening coefficients of methyl chloride rotational lines are measured over a large interval of quantum numbers (6≤J≤50, 0≤K≤18) by a submillimeter frequency-multiplication chain (J≤31) and a terahertz photomixing continuous-wave spectrometer (J≥31). In order to check the accuracy of both techniques, the measurements of identical lines are compared for J=31. The pressure broadening coefficients are deduced from line fits using mainly a Voigt profile model. The excellent signal-to-noise ratio of the frequency-multiplication scheme highlights some speed dependence effect on the line shape. Theoretical values of these coefficients are calculated by a semi-classical approach with exact trajectories. An intermolecular potential including atom-atom interactions is used for the first time. It is shown that, contrary to the previous theoretical predictions, the contributions of short-range forces are important for all values of the rotational quantum numbers. Additional testing of modifications required in the semi-classical formalism for a correct application of the cumulant expansion is also performed. It is stated that the use of the cumulant average on the rotational states of the perturbing molecule leads, for high J and small K values, to slightly higher line-broadening coefficients, as expected for the relatively strong interacting CH3Cl-N2 system. The excellent agreement between the theoretical and the experimental results ensures the reliability of these data.

On the generalized geometry origin of noncommutative gauge theory

NASA Astrophysics Data System (ADS)

Jurčo, Branislav; Schupp, Peter; Vysoký, Jan

2013-07-01

We discuss noncommutative gauge theory from the generalized geometry point of view. We argue that the equivalence between the commutative and semiclassically noncommutative DBI actions is naturally encoded in the generalized geometry of D-branes.

FAST TRACK COMMUNICATION: Semiclassical Klein Kramers and Smoluchowski equations for the Brownian motion of a particle in an external potential

NASA Astrophysics Data System (ADS)

Coffey, W. T.; Kalmykov, Yu P.; Titov, S. V.; Mulligan, B. P.

2007-01-01

The quantum Brownian motion of a particle in an external potential V(x) is treated using the master equation for the Wigner distribution function W(x, p, t) in phase space (x, p). A heuristic method of determination of diffusion coefficients in the master equation is proposed. The time evolution equation so obtained contains explicit quantum correction terms up to o(planck4) and in the classical limit, planck → 0, reduces to the Klein-Kramers equation. For a quantum oscillator, the method yields an evolution equation for W(x, p, t) coinciding with that of Agarwal (1971 Phys. Rev. A 4 739). In the non-inertial regime, by applying the Brinkman expansion of the momentum distribution in Weber functions (Brinkman 1956 Physica 22 29), the corresponding semiclassical Smoluchowski equation is derived.

Diffractive paths for weak localization in quantum billiards

NASA Astrophysics Data System (ADS)

Březinová, Iva; Stampfer, Christoph; Wirtz, Ludger; Rotter, Stefan; Burgdörfer, Joachim

2008-04-01

We study the weak-localization effect in quantum transport through a clean ballistic cavity with regular classical dynamics. We address the question which paths account for the suppression of conductance through a system where disorder and chaos are absent. By exploiting both quantum and semiclassical methods, we unambiguously identify paths that are diffractively backscattered into the cavity (when approaching the lead mouths from the cavity interior) to play a key role. Diffractive scattering couples transmitted and reflected paths and is thus essential to reproduce the weak-localization peak in reflection and the corresponding antipeak in transmission. A comparison of semiclassical calculations featuring these diffractive paths yields good agreement with full quantum calculations and experimental data. Our theory provides system-specific predictions for the quantum regime of few open lead modes and can be expected to be relevant also for mixed as well as chaotic systems.

On proton excitation of forbidden lines in positive ions

NASA Astrophysics Data System (ADS)

Burgess, Alan; Tully, John A.

2005-08-01

The semi-classical impact parameter approximations used by Bahcall and Wolf and by Bely and Faucher, for proton excitation of electric quadrupole transitions in positive ions, both fail at high energies, giving cross sections which do not fall off correctly as constant/E. This is in contrast with the pioneering example of Seaton for Fe+13 and of Reid and Schwarz for S+3, both of whom achieve the correct functional form, but do not ensure the correct constant of proportionality. By combining the Born and semi-classical approximations one can obtain cross sections which have the full correct behaviour as E → ∞, and hence, rate coefficients which have the correct high temperature behaviour (~C/T1/2 with the correct value of C). We provide a computer program for calculating these. An error in Faucher's derivation of the Born formula is also discussed.

Hawking Radiation of the Charged Particle Via Tunneling from the Reissner-Nordström Black Hole

NASA Astrophysics Data System (ADS)

Pu, Jin; Han, Yan

2017-08-01

Since Parikh and Wilczek proposed a semiclassical tunneling method to investigate the Hawking radiation of static and spherically symmetric black holes, the method has been extensively developed to study various black holes. However, in almost all of the subsequent papers, there exists a important shortcoming that the geodesic equation of the massive particle is defined inconsistently with that of the massless particle. In this paper, we propose a new idea to reinvestigate the tunneling radiation from the event horizon of the Reissner-Nordström black hole. In our treatment, by starting from the Lagrangian analysis on the action, we redefine the geodesic equation of the massive and massless particle via tunneling from the event horizon of the Reissner-Nordström black hole, which overcomes the shortcoming mentioned above. The highlight of our work is a new and important development for the Parikh-Wilczek's semiclassical tunneling method.

Collisional excitation of the highly excited hydrogen atoms in the dipole form of the semiclassical impact parameter and Born approximations

NASA Technical Reports Server (NTRS)

Omidvar, K.

1971-01-01

Expressions for the excitation cross section of the highly excited states of the hydrogenlike atoms by fast charged particles have been derived in the dipole approximation of the semiclassical impact parameter and the Born approximations, making use of a formula for the asymptotic expansion of the oscillator strength of the hydrogenlike atoms given by Menzel. When only the leading term in the asymptotic expansion is retained, the expression for the cross section becomes identical to the expression obtained by the method of the classical collision and correspondence principle given by Percival and Richards. Comparisons are made between the Bethe coefficients obtained here and the Bethe coefficients of the Born approximation for transitions where the Born calculation is available. Satisfactory agreement is obtained only for n yields n + 1 transitions, with n the principal quantum number of the excited state.

Semiclassics, Goldstone bosons and CFT data

NASA Astrophysics Data System (ADS)

Monin, A.; Pirtskhalava, D.; Rattazzi, R.; Seibold, F. K.

2017-06-01

Hellerman et al. (arXiv:1505.01537) have shown that in a generic CFT the spectrum of operators carrying a large U(1) charge can be analyzed semiclassically in an expansion in inverse powers of the charge. The key is the operator state correspondence by which such operators are associated with a finite density superfluid phase for the theory quantized on the cylinder. The dynamics is dominated by the corresponding Goldstone hydrodynamic mode and the derivative expansion coincides with the inverse charge expansion. We illustrate and further clarify this situation by first considering simple quantum mechanical analogues. We then systematize the approach by employing the coset construction for non-linearly realized space-time symmetries. Focussing on CFT3 we illustrate the case of higher rank and non-abelian groups and the computation of higher point functions. Three point function coefficients turn out to satisfy universal scaling laws and correlations as the charge and spin are varied.

Virtual Antiparticle Pairs, the Unit of Charge Epsilon and the QCD Coupling Alpha(sub s)

NASA Technical Reports Server (NTRS)

Batchelor, David

2001-01-01

New semi-classical models of virtual antiparticle pairs are used to compute the pair lifetimes, and good agreement with the Heisenberg lifetimes from quantum field theory (QFT) is found. When the results of the new models and QFT are combined, formulae for e and alpha(sub s)(q) are derived in terms of only h and c. The modeling method applies to both the electromagnetic and color forces. Evaluation of the action integral of potential field fluctuation for each interaction potential yields approx. = h/2 for both electromagnetic and color fluctuations, in agreement with QFT. Thus each model is a quantized semiclassical representation for such virtual antiparticle pairs, to good approximation. This work reduces the number of arbitrary parameters of the Standard Model by two from 18 to 16. These are remarkable, unexpected results from a basically classical method.

Identical superdeformed bands in yrast 152Dy: a systematic description

NASA Astrophysics Data System (ADS)

Dadwal, Anshul; Mittal, H. M.

2018-06-01

The nuclear softness (NS) formula, semiclassical particle rotor model (PRM) and modified exponential model with pairing attenuation are used for the systematic study of the identical superdeformed bands in the A ∼ 150 mass region. These formulae/models are employed to study the identical superdeformed bands relative to the yrast SD band 152Dy(1), {152Dy(1), 151Tb(2)}, {152Dy(1), 151Dy(4)} (midpoint), {152Dy(1), 153Dy(2)} (quarter point), {152Dy(1), 153Dy(3)} (three-quarter point). The parameters, baseline moment of inertia ({{I}}0), alignment (i) and effective pairing parameter (Δ0) are calculated using the least-squares fitting of the γ-ray transitions energies in the NS formula, semiclassical-PRM and modified exponential model with pairing attenuation, respectively. The calculated parameters are found to depend sensitively on the proposed baseline spin (I 0).

Quantized mode of a leaky cavity

NASA Astrophysics Data System (ADS)

Dutra, S. M.; Nienhuis, G.

2000-12-01

We use Thomson's classical concept of mode of a leaky cavity to develop a quantum theory of cavity damping. This theory generalizes the conventional system-reservoir theory of high-Q cavity damping to arbitrary Q. The small system now consists of damped oscillators corresponding to the natural modes of the leaky cavity rather than undamped oscillators associated with the normal modes of a fictitious perfect cavity. The formalism unifies semiclassical Fox-Li modes and the normal modes traditionally used for quantization. It also lays the foundations for a full quantum description of excess noise. The connection with Siegman's semiclassical work is straightforward. In a wider context, this theory constitutes a radical departure from present models of dissipation in quantum mechanics: unlike conventional models, system and reservoir operators no longer commute with each other. This noncommutability is an unavoidable consequence of having to use natural cavity modes rather than normal modes of a fictitious perfect cavity.

Theory of the stopping power of fast multicharged ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yudin, G.L.

1991-12-01

The processes of Coulomb excitation and ionization of atoms by a fast charged particle moving along a classical trajectory are studied. The target electrons are described by the Dirac equation, while the field of the incident particle is described by the Lienard-Wiechert potential. The theory is formulated in the form most convenient for investigation of various characteristics of semiclassical atomic collisions. The theory of sudden perturbations, which is valid at high enough velocities for a high projectile charge, is employed to obtain probabilities and cross sections of the Coulomb excitation and ionization of atomic hydrogen by fast multiply charged ions.more » Based on the semiclassical sudden Born approximation, the ionization cross section and the average electronic energy loss of a fast ion in a single collision with an atom are investigated over a wide specific energy range from 500 keV/amu to 50 MeV/amu.« less

Binding energies and modelling of nuclei in semiclassical simulations

NASA Astrophysics Data System (ADS)

Pérez-García, M. Ángeles; Tsushima, K.; Valcarce, A.

2008-03-01

We study the binding energies of spin isospin saturated nuclei with nucleon number 8⩽A⩽100 in semiclassical Monte Carlo many-body simulations. The model Hamiltonian consists of (i) nucleon kinetic energy, (ii) a nucleon nucleon interaction potential, and (iii) an effective Pauli potential which depends on density. The basic ingredients of the nucleon nucleon potential are a short-range repulsion, and a medium-range attraction. Our results demonstrate that one can always expect to obtain the empirical binding energies for a set of nuclei by introducing a proper density dependent Pauli potential in terms of a single variable, the nucleon number, A. The present work shows that in the suggested procedure there is a delicate counterbalance of kinetic and potential energetic contributions allowing a good reproduction of the experimental nuclear binding energies. This type of calculations may be of interest in further reproduction of other properties of nuclei such as radii and also exotic nuclei.

Semiclassical transport in nearly symmetric quantum dots. II. Symmetry breaking due to asymmetric leads.

PubMed

Whitney, Robert S; Schomerus, Henning; Kopp, Marten

2009-11-01

In this work-the second of a pair of articles-we consider transport through spatially symmetric quantum dots with leads whose widths or positions do not obey the spatial symmetry. We use the semiclassical theory of transport to find the symmetry-induced contributions to weak localization corrections and universal conductance fluctuations for dots with left-right, up-down, inversion, and fourfold symmetries. We show that all these contributions are suppressed by asymmetric leads; however, they remain finite whenever leads intersect with their images under the symmetry operation. For an up-down symmetric dot, this means that the contributions can be finite even if one of the leads is completely asymmetric. We find that the suppression of the contributions to universal conductance fluctuations is the square of the suppression of contributions to weak localization. Finally, we develop a random-matrix theory model which enables us to numerically confirm these results.

Stopping power of dense plasmas: The collisional method and limitations of the dielectric formalism.

PubMed

Clauser, C F; Arista, N R

2018-02-01

We present a study of the stopping power of plasmas using two main approaches: the collisional (scattering theory) and the dielectric formalisms. In the former case, we use a semiclassical method based on quantum scattering theory. In the latter case, we use the full description given by the extension of the Lindhard dielectric function for plasmas of all degeneracies. We compare these two theories and show that the dielectric formalism has limitations when it is used for slow heavy ions or atoms in dense plasmas. We present a study of these limitations and show the regimes where the dielectric formalism can be used, with appropriate corrections to include the usual quantum and classical limits. On the other hand, the semiclassical method shows the correct behavior for all plasma conditions and projectile velocity and charge. We consider different models for the ion charge distributions, including bare and dressed ions as well as neutral atoms.

Semiclassical description of photoionization microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bordas, Ch.; Lepine, F.; Nicole, C.

2003-07-01

Recently, experiments have been reported where a geometrical interference pattern was observed when photoelectrons ejected in the threshold photoionization of xenon were detected in a velocity-map imaging apparatus [C. Nicole et al., Phys. Rev. Lett. 88, 133001 (2002)]. This technique, called photoionization microscopy, relies on the existence of interferences between various trajectories by which the electron moves from the atom to the plane of observation. Unlike previous predictions relevant to the hydrogenic case, the structure of the interference pattern evolves smoothly with the excess energy above the saddle point and is only weakly affected by the presence of continuum Starkmore » resonances. In this paper, we describe a semiclassical analysis of this process and present numerical simulations in excellent agreement with the experimental results. It is shown that the background contribution dominates in the observations, as opposed to the behavior expected for hydrogenic systems where the interference pattern is qualitatively different on quasidiscrete Stark resonances.« less

Gauge Physics of Spin Hall Effect

PubMed Central

Tan, Seng Ghee; Jalil, Mansoor B. A.; Ho, Cong Son; Siu, Zhuobin; Murakami, Shuichi

2015-01-01

Spin Hall effect (SHE) has been discussed in the context of Kubo formulation, geometric physics, spin orbit force, and numerous semi-classical treatments. It can be confusing if the different pictures have partial or overlapping claims of contribution to the SHE. In this article, we present a gauge-theoretic, time-momentum elucidation, which provides a general SHE equation of motion, that unifies under one theoretical framework, all contributions of SHE conductivity due to the kinetic, the spin orbit force (Yang-Mills), and the geometric (Murakami-Fujita) effects. Our work puts right an ambiguity surrounding previously partial treatments involving the Kubo, semiclassical, Berry curvatures, or the spin orbit force. Our full treatment shows the Rashba 2DEG SHE conductivity to be instead of −, and Rashba heavy hole instead of −. This renewed treatment suggests a need to re-derive and re-calculate previously studied SHE conductivity. PMID:26689260

Characteristics of Polarisation in the Ramsauer-Townsend Minima in Strongly Coupled Semiclassic Plasmas

NASA Astrophysics Data System (ADS)

Lee, Myoung-Jae; Jung, Young-Dae

2017-10-01

The influence of quantum shielding on the Ramsauer-Townsend phenomena for the total electron-atom polarisation collision cross-section is investigated in partially ionised strongly coupled semiclassic plasmas. The result shows that the quantum shielding effect changes the position of the Ramsauer energy in partially ionised strongly coupled plasmas. It is also found that the quantum shielding effect enhances the total electron-atom collision cross-section when the collision energy is greater than the Ramsauer energy; however, it suppresses the collision cross-section when the collision energy is smaller than the Ramsauer energy. In addition, it is shown that the plasma screening effect significantly changes the position of the Ramsauer energy and the influence of plasma screening on the magnitude of the collision cross-section is more significant near the Ramsauer energy domain. The variations of the Ramsauer energy and the collision cross-section due to the quantum shielding effect are also discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chęcińska, Agata; Heaney, Libby; Pollock, Felix A.

Motivated by a proposed olfactory mechanism based on a vibrationally activated molecular switch, we study electron transport within a donor-acceptor pair that is coupled to a vibrational mode and embedded in a surrounding environment. We derive a polaron master equation with which we study the dynamics of both the electronic and vibrational degrees of freedom beyond previously employed semiclassical (Marcus-Jortner) rate analyses. We show (i) that in the absence of explicit dissipation of the vibrational mode, the semiclassical approach is generally unable to capture the dynamics predicted by our master equation due to both its assumption of one-way (exponential) electronmore » transfer from donor to acceptor and its neglect of the spectral details of the environment; (ii) that by additionally allowing strong dissipation to act on the odorant vibrational mode, we can recover exponential electron transfer, though typically at a rate that differs from that given by the Marcus-Jortner expression; (iii) that the ability of the molecular switch to discriminate between the presence and absence of the odorant, and its sensitivity to the odorant vibrational frequency, is enhanced significantly in this strong dissipation regime, when compared to the case without mode dissipation; and (iv) that details of the environment absent from previous Marcus-Jortner analyses can also dramatically alter the sensitivity of the molecular switch, in particular, allowing its frequency resolution to be improved. Our results thus demonstrate the constructive role dissipation can play in facilitating sensitive and selective operation in molecular switch devices, as well as the inadequacy of semiclassical rate equations in analysing such behaviour over a wide range of parameters.« less

Semiclassical stochastic mechanics for the Coulomb potential with applications to modelling dark matter

NASA Astrophysics Data System (ADS)

Neate, Andrew; Truman, Aubrey

2016-05-01

Little is known about dark matter particles save that their most important interactions with ordinary matter are gravitational and that, if they exist, they are stable, slow moving and relatively massive. Based on these assumptions, a semiclassical approximation to the Schrödinger equation under the action of a Coulomb potential should be relevant for modelling their behaviour. We investigate the semiclassical limit of the Schrödinger equation for a particle of mass M under a Coulomb potential in the context of Nelson's stochastic mechanics. This is done using a Freidlin-Wentzell asymptotic series expansion in the parameter ɛ = √{ ħ / M } for the Nelson diffusion. It is shown that for wave functions ψ ˜ exp((R + iS)/ɛ2) where R and S are real valued, the ɛ = 0 behaviour is governed by a constrained Hamiltonian system with Hamiltonian Hr and constraint Hi = 0 where the superscripts r and i denote the real and imaginary parts of the Bohr correspondence limit of the quantum mechanical Hamiltonian, independent of Nelson's ideas. Nelson's stochastic mechanics is restored in dealing with the nodal surface singularities and by computing (correct to first order in ɛ) the relevant diffusion process in terms of Jacobi fields thereby revealing Kepler's laws in a new light. The key here is that the constrained Hamiltonian system has just two solutions corresponding to the forward and backward drifts in Nelson's stochastic mechanics. We discuss the application of this theory to modelling dark matter particles under the influence of a large gravitating point mass.

Role of electron-electron interference in ultrafast time-resolved imaging of electronic wavepackets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dixit, Gopal; Santra, Robin; Department of Physics, University of Hamburg, D-20355 Hamburg

2013-04-07

Ultrafast time-resolved x-ray scattering is an emerging approach to image the dynamical evolution of the electronic charge distribution during complex chemical and biological processes in real-space and real-time. Recently, the differences between semiclassical and quantum-electrodynamical (QED) theory of light-matter interaction for scattering of ultrashort x-ray pulses from the electronic wavepacket were formally demonstrated and visually illustrated by scattering patterns calculated for an electronic wavepacket in atomic hydrogen [G. Dixit, O. Vendrell, and R. Santra, Proc. Natl. Acad. Sci. U.S.A. 109, 11636 (2012)]. In this work, we present a detailed analysis of time-resolved x-ray scattering from a sample containing a mixturemore » of non-stationary and stationary electrons within both the theories. In a many-electron system, the role of scattering interference between a non-stationary and several stationary electrons to the total scattering signal is investigated. In general, QED and semiclassical theory provide different results for the contribution from the scattering interference, which depends on the energy resolution of the detector and the x-ray pulse duration. The present findings are demonstrated by means of a numerical example of x-ray time-resolved imaging for an electronic wavepacket in helium. It is shown that the time-dependent scattering interference vanishes within semiclassical theory and the corresponding patterns are dominated by the scattering contribution from the time-independent interference, whereas the time-dependent scattering interference contribution do not vanish in the QED theory and the patterns are dominated by the scattering contribution from the non-stationary electron scattering.« less

Role of electron-electron interference in ultrafast time-resolved imaging of electronic wavepackets

NASA Astrophysics Data System (ADS)

Dixit, Gopal; Santra, Robin

2013-04-01

Ultrafast time-resolved x-ray scattering is an emerging approach to image the dynamical evolution of the electronic charge distribution during complex chemical and biological processes in real-space and real-time. Recently, the differences between semiclassical and quantum-electrodynamical (QED) theory of light-matter interaction for scattering of ultrashort x-ray pulses from the electronic wavepacket were formally demonstrated and visually illustrated by scattering patterns calculated for an electronic wavepacket in atomic hydrogen [G. Dixit, O. Vendrell, and R. Santra, Proc. Natl. Acad. Sci. U.S.A. 109, 11636 (2012)], 10.1073/pnas.1202226109. In this work, we present a detailed analysis of time-resolved x-ray scattering from a sample containing a mixture of non-stationary and stationary electrons within both the theories. In a many-electron system, the role of scattering interference between a non-stationary and several stationary electrons to the total scattering signal is investigated. In general, QED and semiclassical theory provide different results for the contribution from the scattering interference, which depends on the energy resolution of the detector and the x-ray pulse duration. The present findings are demonstrated by means of a numerical example of x-ray time-resolved imaging for an electronic wavepacket in helium. It is shown that the time-dependent scattering interference vanishes within semiclassical theory and the corresponding patterns are dominated by the scattering contribution from the time-independent interference, whereas the time-dependent scattering interference contribution do not vanish in the QED theory and the patterns are dominated by the scattering contribution from the non-stationary electron scattering.

Extended linear regime of cavity-QED enhanced optical circular birefringence induced by a charged quantum dot

NASA Astrophysics Data System (ADS)

Hu, C. Y.; Rarity, J. G.

2015-02-01

Giant optical Faraday rotation (GFR) and giant optical circular birefringence (GCB) induced by a single quantum-dot spin in an optical microcavity can be regarded as linear effects in the weak-excitation approximation if the input field lies in the low-power limit [Hu et al., Phys. Rev. B 78, 085307 (2008), 10.1103/PhysRevB.78.085307; Hu et al., Phys. Rev. B 80, 205326 (2009), 10.1103/PhysRevB.80.205326]. In this work, we investigate the transition from the weak-excitation approximation moving into the saturation regime comparing a semiclassical approximation with the numerical results from a quantum optics toolbox [Tan, J. Opt. B 1, 424 (1999), 10.1088/1464-4266/1/4/312]. We find that the GFR and GCB around the cavity resonance in the strong-coupling regime are input field independent at intermediate powers and can be well described by the semiclassical approximation. Those associated with the dressed state resonances in the strong-coupling regime or merging with the cavity resonance in the Purcell regime are sensitive to input field at intermediate powers, and cannot be well described by the semiclassical approximation due to the quantum-dot saturation. As the GFR and GCB around the cavity resonance are relatively immune to the saturation effects, the rapid readout of single-electron spins can be carried out with coherent state and other statistically fluctuating light fields. This also shows that high-speed quantum entangling gates, robust against input power variations, can be built exploiting these linear effects.

Role of electron-electron interference in ultrafast time-resolved imaging of electronic wavepackets.

PubMed

Dixit, Gopal; Santra, Robin

2013-04-07

Ultrafast time-resolved x-ray scattering is an emerging approach to image the dynamical evolution of the electronic charge distribution during complex chemical and biological processes in real-space and real-time. Recently, the differences between semiclassical and quantum-electrodynamical (QED) theory of light-matter interaction for scattering of ultrashort x-ray pulses from the electronic wavepacket were formally demonstrated and visually illustrated by scattering patterns calculated for an electronic wavepacket in atomic hydrogen [G. Dixit, O. Vendrell, and R. Santra, Proc. Natl. Acad. Sci. U.S.A. 109, 11636 (2012)]. In this work, we present a detailed analysis of time-resolved x-ray scattering from a sample containing a mixture of non-stationary and stationary electrons within both the theories. In a many-electron system, the role of scattering interference between a non-stationary and several stationary electrons to the total scattering signal is investigated. In general, QED and semiclassical theory provide different results for the contribution from the scattering interference, which depends on the energy resolution of the detector and the x-ray pulse duration. The present findings are demonstrated by means of a numerical example of x-ray time-resolved imaging for an electronic wavepacket in helium. It is shown that the time-dependent scattering interference vanishes within semiclassical theory and the corresponding patterns are dominated by the scattering contribution from the time-independent interference, whereas the time-dependent scattering interference contribution do not vanish in the QED theory and the patterns are dominated by the scattering contribution from the non-stationary electron scattering.

Physical theories, eternal inflation, and the quantum universe

NASA Astrophysics Data System (ADS)

Nomura, Yasunori

2011-11-01

Infinities in eternal inflation have long been plaguing cosmology, making any predictions highly sensitive to how they are regulated. The problem exists already at the level of semi-classical general relativity, and has a priori nothing to do with quantum gravity. On the other hand, we know that certain problems in semi-classical gravity, for example physics of black holes and their evaporation, have led to understanding of surprising, quantum natures of spacetime and gravity, such as the holographic principle and horizon complementarity. In this paper, we present a framework in which well-defined predictions are obtained in an eternally inflating multiverse, based on the principles of quantum mechanics. We propose that the entire multiverse is described purely from the viewpoint of a single "observer," who describes the world as a quantum state defined on his/her past light cones bounded by the (stretched) apparent horizons. We find that quantum mechanics plays an essential role in regulating infinities. The framework is "gauge invariant," i.e. predictions do not depend on how spacetime is parametrized, as it should be in a theory of quantum gravity. Our framework provides a fully unified treatment of quantum measurement processes and the multiverse. We conclude that the eternally inflating multiverse and many worlds in quantum mechanics are the same. Other important implications include: global spacetime can be viewed as a derived concept; the multiverse is a transient phenomenon during the world relaxing into a supersymmetric Minkowski state. We also present a model of "initial conditions" for the multiverse. By extrapolating our framework to the extreme, we arrive at a picture that the entire multiverse is a fluctuation in the stationary, fractal "mega-multiverse," in which an infinite sequence of multiverse productions occurs. The framework discussed here does not suffer from problems/paradoxes plaguing other measures proposed earlier, such as the youngness paradox and the Boltzmann brain problem.

Quantum State Diffusion

NASA Astrophysics Data System (ADS)

Percival, Ian

2005-10-01

1. Introduction; 2. Brownian motion and Itô calculus; 3. Open quantum systems; 4. Quantum state diffusion; 5. Localisation; 6. Numerical methods and examples; 7. Quantum foundations; 8. Primary state diffusion; 9. Classical dynamics of quantum localisation; 10. Semiclassical theory and linear dynamics.

Resonance-assisted decay of nondispersive wave packets.

PubMed

Wimberger, Sandro; Schlagheck, Peter; Eltschka, Christopher; Buchleitner, Andreas

2006-07-28

We present a quantitative semiclassical theory for the decay of nondispersive electronic wave packets in driven, ionizing Rydberg systems. Statistically robust quantities are extracted combining resonance-assisted tunneling with subsequent transport across chaotic phase space and a final ionization step.

Highlights from the previous volumes

NASA Astrophysics Data System (ADS)

Vergini Eduardo, G.; Pan, Y.; al., Vardi R. et; al., Akkermans Eric et; et al.

2014-01-01

Semiclassical propagation up to the Heisenberg time Superconductivity and magnetic order in the half-Heusler compound ErPdBi An experimental evidence-based computational paradigm for new logic-gates in neuronal activity Universality in the symmetric exclusion process and diffusive systems

Sequential Double lonization: The Timing of Release

NASA Astrophysics Data System (ADS)

Pfeiffer, A.

2011-05-01

The timing of electron release in strong field double ionization poses great challenges both for conceptual definition and for conducting experimental measurement. Here we present coincidence momentum measurements of the doubly charged ion and of the two electrons arising from double ionization of Argon using elliptically (close to circularly) polarized laser pulses. Based on a semi-classical model, the ionization times are calculated from the measured electron momenta across a large intensity range. Exploiting the attoclock technique we have direct access to timings on a coarse and on a fine scale, similar to the hour and the minute hand of a clock. In our attoclock, the magnitude of the electron momenta follows the envelope of the laser pulse and gives a coarse timing for the electron releases (the hour hand), while the fine timing (the minute hand) is provided by the emission angle of the electrons. The first of our findings is that due to depletion the averaged ionization time moves towards the beginning of the pulse with increasing intensity, confirming the results of Maharjan et al., and that the ion momentum distribution projected onto the minor polarization axis shows a bifurcation from a 3-peak to a 4-peak structure. This effect can be fully understood by modeling the process semi-classically in the independent electron approximation following the simple man's model. The ionization time measurement performed with the attoclock shows that the release time of the first electron is in good agreement with the semi-classical simulation performed on the basis of Sequential Double lonization (SDI), whereas the ionization of the second electron occurs significantly earlier than predicted. This observation suggests that electron correlation and other Non-Sequential Double lonization (NSDI) mechanisms may play an important role also in the case of strong field double ionization by close-to-circularly polarized laser pulses. The timing of electron release in strong field double ionization poses great challenges both for conceptual definition and for conducting experimental measurement. Here we present coincidence momentum measurements of the doubly charged ion and of the two electrons arising from double ionization of Argon using elliptically (close to circularly) polarized laser pulses. Based on a semi-classical model, the ionization times are calculated from the measured electron momenta across a large intensity range. Exploiting the attoclock technique we have direct access to timings on a coarse and on a fine scale, similar to the hour and the minute hand of a clock. In our attoclock, the magnitude of the electron momenta follows the envelope of the laser pulse and gives a coarse timing for the electron releases (the hour hand), while the fine timing (the minute hand) is provided by the emission angle of the electrons. The first of our findings is that due to depletion the averaged ionization time moves towards the beginning of the pulse with increasing intensity, confirming the results of Maharjan et al., and that the ion momentum distribution projected onto the minor polarization axis shows a bifurcation from a 3-peak to a 4-peak structure. This effect can be fully understood by modeling the process semi-classically in the independent electron approximation following the simple man's model. The ionization time measurement performed with the attoclock shows that the release time of the first electron is in good agreement with the semi-classical simulation performed on the basis of Sequential Double lonization (SDI), whereas the ionization of the second electron occurs significantly earlier than predicted. This observation suggests that electron correlation and other Non-Sequential Double lonization (NSDI) mechanisms may play an important role also in the case of strong field double ionization by close-to-circularly polarized laser pulses. In collaboration with C. Cirelli and M. Smolarski, Physics Department, ETH Zurich, 8093 Zurich, Switzerland; R. Doerner, Institut fiir Kernphysik, Johann Wolfgang Goethe Universitat, 60438 Frankfurt am Main, Germany; and U. Keller, ETH Zurich.

Semiclassical electron transport at the edge of a two-dimensional topological insulator: Interplay of protected and unprotected modes

NASA Astrophysics Data System (ADS)

Khalaf, E.; Skvortsov, M. A.; Ostrovsky, P. M.

2016-03-01

We study electron transport at the edge of a generic disordered two-dimensional topological insulator, where some channels are topologically protected from backscattering. Assuming the total number of channels is large, we consider the edge as a quasi-one-dimensional quantum wire and describe it in terms of a nonlinear sigma model with a topological term. Neglecting localization effects, we calculate the average distribution function of transmission probabilities as a function of the sample length. We mainly focus on the two experimentally relevant cases: a junction between two quantum Hall (QH) states with different filling factors (unitary class) and a relatively thick quantum well exhibiting quantum spin Hall (QSH) effect (symplectic class). In a QH sample, the presence of topologically protected modes leads to a strong suppression of diffusion in the other channels already at scales much shorter than the localization length. On the semiclassical level, this is accompanied by the formation of a gap in the spectrum of transmission probabilities close to unit transmission, thereby suppressing shot noise and conductance fluctuations. In the case of a QSH system, there is at most one topologically protected edge channel leading to weaker transport effects. In order to describe `topological' suppression of nearly perfect transparencies, we develop an exact mapping of the semiclassical limit of the one-dimensional sigma model onto a zero-dimensional sigma model of a different symmetry class, allowing us to identify the distribution of transmission probabilities with the average spectral density of a certain random-matrix ensemble. We extend our results to other symmetry classes with topologically protected edges in two dimensions.

On the substructure of the cosmological constant

NASA Astrophysics Data System (ADS)

Dvali, G.; Gomez, C.; Zell, S.

We summarize the findings of our paper arXiv:1701.08776 [hep-th]. We start by defining the quantum break-time. Once one understands a classical solution as expectation value of an underlying quantum state, it emerges as time-scale after which the true quantum evolution departs from the classical mean field evolution. We apply this idea to de Sitter space. Following earlier work, we construct a simple model of a spin-2 field, which for some time reproduces the de Sitter metric and simultaneously allows for its well-defined representation as coherent quantum state of gravitons. The mean occupation number N of background gravitons turns out to be equal to the de Sitter horizon area in Planck units, while their frequency is given by the de Sitter Hubble parameter. In the semi-classical limit, we show that the model reproduces all semi-classical calculations in de Sitter, such as thermal Gibbons-Hawking radiation, all in the language of quantum S-matrix scatterings and decays of coherent state gravitons. Most importantly, this framework allows to capture the (1/N)-effects of back reaction to which the usual semi-classical treatment is blind. They violate the de Sitter symmetry and lead to a finite quantum break-time of the de Sitter state equal to the de Sitter radius times N. We also point out that the quantum-break time is inversely proportional to the number of particle species in the theory. Thus, the quantum break-time imposes the following consistency condition: Older and species-richer universes must have smaller cosmological constants. For the maximal, phenomenologically acceptable number of species, the observed cosmological constant would saturate this bound if our Universe were 10100 years old in its entire classical history.

CALL FOR PAPERS: Optical implementation of quantum computers

NASA Astrophysics Data System (ADS)

Rarity, John; Weinfurter, Harald

2004-09-01

A topical issue of Journal of Optics B: Quantum and Semiclassical Optics will be devoted to recent advances in optical implementation of quantum computers. The topics to be covered will include, but are not limited to: bullet Linear optics quantum gates bullet Progress towards nonlinear optics quantum gates bullet Interface between optical qubits and atomic/solid state qubits bullet Novel architectures bullet Single-photon sources and detectors bullet Photonic quantum networks bullet Few-qubit applications The DEADLINE for submission of contributions is 15 January 2005 to allow the topical issue to be published in about October 2005. All contributions will be peer-reviewed in accordance with the normal refereeing procedures and standards of Journal of Optics B: Quantum and Semiclassical Optics. Submissions should preferably be in either standard LaTeX form or Microsoft Word. Advice on publishing your work in the journal may be found at www.iop.org/journals/authors/jopb. There are no page charges for publication. The corresponding author of each paper published will receive a complimentary copy of the topical issue. Contributions to the topical issue should preferably be submitted electronically at www.iop.org/journals/authors/jopb or by e-mail to jopb@iop.org. Authors unable to submit online or by e-mail may send hard copy contributions (enclosing the electronic code) to: Dr Claire Bedrock (Publisher), Journal of Optics B: Quantum and Semiclassical Optics, Institute of Physics Publishing, Dirac House, Temple Back, Bristol BS1 6BE, UK. All contributions should be accompanied by a readme file or covering letter, quoting `JOPB Topical Issue - Optical implementation of quantum computers', giving the postal and e-mail addresses for correspondence. Any subsequent change of address should be notified to the publishing office. We look forward to receiving your contribution to this topical issue.

Quantum graviton creation in a model universe

NASA Technical Reports Server (NTRS)

Berger, B. K.

1974-01-01

Consideration of the mechanism of production of gravitons in the empty, anisotropic, spatially inhomogeneous Gowdy three-torus cosmology. The Gowdy cosmology is an exact solution of the vacuum Einstein equations and is obtained as a generalization of the homogeneous empty Bianchi Type I (Kasner) cosmology by permitting the metric components to depend on one of the space variables in addition to time. The Hamiltonian methods of Arnowitt, Deser, and Misner are employed to identify the dynamical variables which are to be quantized. The WKB regime solution is identical to that found by Doroshkevich, Zel'dovich, and Novikov (DZN) for a universe containing collisionless anisotropic radiation. Using a procedure similar to that of Parker (1971) or Zel'dovich and Starobinskii (1971) for defining quantum number, it is found that the DZN large-time radiation consists of quanta (gravitons) created from an initial vacuum. The quantum behavior is much like the semiclassical enhancement of quantum number with the added feature of creation of quanta from vacuum fluctuations.

Quantum Dynamics in Biological Systems

NASA Astrophysics Data System (ADS)

Shim, Sangwoo

In the first part of this dissertation, recent efforts to understand quantum mechanical effects in biological systems are discussed. Especially, long-lived quantum coherences observed during the electronic energy transfer process in the Fenna-Matthews-Olson complex at physiological condition are studied extensively using theories of open quantum systems. In addition to the usual master equation based approaches, the effect of the protein structure is investigated in atomistic detail through the combined application of quantum chemistry and molecular dynamics simulations. To evaluate the thermalized reduced density matrix, a path-integral Monte Carlo method with a novel importance sampling approach is developed for excitons coupled to an arbitrary phonon bath at a finite temperature. In the second part of the thesis, simulations of molecular systems and applications to vibrational spectra are discussed. First, the quantum dynamics of a molecule is simulated by combining semiclassical initial value representation and density funcitonal theory with analytic derivatives. A computationally-tractable approximation to the sum-of-states formalism of Raman spectra is subsequently discussed.

Quantum gravity in the Southern Cone Conference. Proceedings. Conference, Bariloche (Argentina), 7 - 10 Jan 1998.

NASA Astrophysics Data System (ADS)

1999-04-01

The following topics are discussed: Black hole formation by canonical dynamics of gravitating shells; canonical quantum gravity; Vassiliev invariants; midisuperspace models; quantum spacetime; large-N limit of superconformal field theories and supergravity; world-volume fields and background coupling of branes; gauge enhancement and chirality changes in nonperturbative orbifold models; chiral p-forms; formally renormalizable gravitationally self-interacting string models; gauge supergravities for all odd dimensions; black hole radiation and S-matrix; primordial black holes; fluctuations in a thermal field and dissipation of a black hole spacetime in far-field limit; adiabatic interpretation of particle creation in a de Sitter universe; nonequilibrium dynamics of quantum fields in inflationary cosmology; magnetic fields in the early Universe; classical regime of a quantum universe obtained through a functional method; decoherence and correlations in semiclassical cosmology; fluid of primordial fluctuations; causal statistical mechanics calculation of initial cosmic entropy and quantum gravity prospects and black hole-D-brane correspondence.

State-selective charge exchange in slow collisions of Si3+ ions with H atoms: A molecular state close coupling treatment*)

NASA Astrophysics Data System (ADS)

Joseph, Dwayne C.; Saha, Bidhan C.

2012-11-01

Charge transfer cross sections are calculated by employing both the quantal and semiclassical ɛ(R) molecular orbital close coupling (MOCC) approximations in the adiabatic representation and compared with other theoretical and experimental results

Detailed numerical simulations of laser cooling processes

NASA Technical Reports Server (NTRS)

Ramirez-Serrano, J.; Kohel, J.; Thompson, R.; Yu, N.

2001-01-01

We developed a detailed semiclassical numerical code of the forces applied on atoms in optical and magnetic fields to increase the understanding of the different roles that light, atomic collisions, background pressure, and number of particles play in experiments with laser cooled and trapped atoms.

Entropy, temperature and internal energy of trapped gravitons and corrections to the Black Hole entropy

NASA Astrophysics Data System (ADS)

Viaggiu, Stefano

2017-12-01

In this paper we study the proposal present in Viaggiu (2017) concerning the statistical description of trapped gravitons and applied to derive the semi-classical black hole (BH) entropy SBH. We study the possible configurations depending on physically reasonable expressions for the internal energy U. In particular, we show that expressions for U ∼Rk , k ≥ 1, with R the radius of the confining spherical box, can have a semi-classical description, while behaviors with k < 1 derive from thermodynamic or quantum fluctuations. There, by taking a suitable physically motivated expression for U(R) , we obtain the well known logarithmic corrections to the BH entropy, with the usual behaviors present in the literature of BH entropy. Moreover, a phase transition emerges with a positive specific heat C at Planckian lengths instead of the usual negative one at non-Planckian scales, in agreement with results present in the literature. Finally, we show that evaporation stops at a radius R of the order of the Planck length.

Semiclassical theory of sub-Doppler forces in an asymmetric magneto-optical trap with unequal laser detunings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noh, Heung-Ryoul; Jhe, Wonho

We present a semiclassical theory of the sub-Doppler forces in an asymmetric magneto-optical trap where the trap-laser frequencies are unequal to one another. To solve the optical Bloch equations, which contain explicit time dependence, unlike in the symmetric case of equal laser detunings, we have developed a convenient and efficient method to calculate the atomic forces at various oscillating frequencies for each atomic density matrix element. In particular, the theory provides a qualitative understanding of the array of sub-Doppler traps (SDTs) recently observed in such an asymmetric trap. We find that the distances between SDTs are proportional to the relativemore » detuning differences, in good agreement with experimental results. The theory presented here can be applied to a dynamic system with multiple laser frequencies involved; the number of coupled equations to solve is much reduced and the resulting numerical calculation can be performed rather simply and efficiently.« less

Double-wells and double-layers in dusty Fermi-Dirac plasmas: Comparison with the semiclassical Thomas-Fermi counterpart

DOE Office of Scientific and Technical Information (OSTI.GOV)

Akbari-Moghanjoughi, M.

Based on the quantum hydrodynamics (QHD) model, a new relationship between the electrostatic-potential and the electron-density in the ultradense plasma is derived. Propagation of arbitrary amplitude nonlinear ion waves is, then, investigated in a completely degenerate dense dusty electron-ion plasma, using this new energy relation for the relativistic electrons, in the ground of quantum hydrodynamics model and the results are compared to the case of semiclassical Thomas-Fermi dusty plasma. Based on the standard pseudopotential approach, it is remarked that the Fermi-Dirac plasma, in contrast to the Thomas-Fermi counterpart, accommodates a wide variety of nonlinear excitations such as positive/negative-potential ion solitarymore » and periodic waves, double-layers, and double-wells. It is also remarked that the relativistic degeneracy parameter which relates to the mass-density of plasma has significant effects on the allowed matching-speed range in Fermi-Dirac dusty plasmas.« less

Semi-classical approach to compute RABBITT traces in multi-dimensional complex field distributions.

PubMed

Lucchini, M; Ludwig, A; Kasmi, L; Gallmann, L; Keller, U

2015-04-06

We present a semi-classical model to calculate RABBITT (Reconstruction of Attosecond Beating By Interference of Two-photon Transitions) traces in the presence of a reference infrared field with a complex two-dimensional (2D) spatial distribution. The evolution of the electron spectra as a function of the pump-probe delay is evaluated starting from the solution of the classical equation of motion and incorporating the quantum phase acquired by the electron during the interaction with the infrared field. The total response to an attosecond pulse train is then evaluated by a coherent sum of the contributions generated by each individual attosecond pulse in the train. The flexibility of this model makes it possible to calculate spectrograms from non-trivial 2D field distributions. After confirming the validity of the model in a simple 1D case, we extend the discussion to describe the probe-induced phase in photo-emission experiments on an ideal metallic surface.

An assessment of mean-field mixed semiclassical approaches: Equilibrium populations and algorithm stability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bellonzi, Nicole; Jain, Amber; Subotnik, Joseph E.

2016-04-21

We study several recent mean-field semiclassical dynamics methods, focusing on the ability to recover detailed balance for long time (equilibrium) populations. We focus especially on Miller and Cotton’s [J. Phys. Chem. A 117, 7190 (2013)] suggestion to include both zero point electronic energy and windowing on top of Ehrenfest dynamics. We investigate three regimes: harmonic surfaces with weak electronic coupling, harmonic surfaces with strong electronic coupling, and anharmonic surfaces with weak electronic coupling. In most cases, recent additions to Ehrenfest dynamics are a strong improvement upon mean-field theory. However, for methods that include zero point electronic energy, we show thatmore » anharmonic potential energy surfaces often lead to numerical instabilities, as caused by negative populations and forces. We also show that, though the effect of negative forces can appear hidden in harmonic systems, the resulting equilibrium limits do remain dependent on any windowing and zero point energy parameters.« less

The predictive accuracy of analytical formulas and semiclassical approaches for α decay half-lives of superheavy nuclei

NASA Astrophysics Data System (ADS)

Zhao, T. L.; Bao, X. J.; Guo, S. Q.

2018-02-01

Systematic calculations on the α decay half-lives are performed by using three analytical formulas and two semiclassical approaches. For the three analytical formulas, the experimental α decay half-lives and {Q}α values of the 66 reference nuclei have been used to obtain the coefficients. We get only four adjustable parameters to describe α decay half-lives for even-even, odd-A, and odd-odd nuclei. By comparison between the calculated values from ten analytical formulas and experimental data, it is shown that the new universal decay law (NUDL) foumula is the most accurate one to reproduce the experimental α decay half-lives of the superheavy nuclei (SHN). Meanwhile it is found that the experimental α decay half-lives of SHN are well reproduced by the Royer formula although many parameters are contained. The results show that the NUDL formula and the generalized liquid drop model (GLDM2) with consideration of the preformation factor can give fairly equivalent results for the superheavy nuclei.

Functional Integration

NASA Astrophysics Data System (ADS)

Cartier, Pierre; DeWitt-Morette, Cecile

2006-11-01

Acknowledgements; List symbols, conventions, and formulary; Part I. The Physical and Mathematical Environment: 1. The physical and mathematical environment; Part II. Quantum Mechanics: 2. First lesson: gaussian integrals; 3. Selected examples; 4. Semiclassical expansion: WKB; 5. Semiclassical expansion: beyond WKB; 6. Quantum dynamics: path integrals and operator formalism; Part III. Methods from Differential Geometry: 7. Symmetries; 8. Homotopy; 9. Grassmann analysis: basics; 10. Grassmann analysis: applications; 11. Volume elements, divergences, gradients; Part IV. Non-Gaussian Applications: 12. Poisson processes in physics; 13. A mathematical theory of Poisson processes; 14. First exit time: energy problems; Part V. Problems in Quantum Field Theory: 15. Renormalization 1: an introduction; 16. Renormalization 2: scaling; 17. Renormalization 3: combinatorics; 18. Volume elements in quantum field theory Bryce DeWitt; Part VI. Projects: 19. Projects; Appendix A. Forward and backward integrals: spaces of pointed paths; Appendix B. Product integrals; Appendix C. A compendium of gaussian integrals; Appendix D. Wick calculus Alexander Wurm; Appendix E. The Jacobi operator; Appendix F. Change of variables of integration; Appendix G. Analytic properties of covariances; Appendix H. Feynman's checkerboard; Bibliography; Index.

Functional Integration

NASA Astrophysics Data System (ADS)

Cartier, Pierre; DeWitt-Morette, Cecile

2010-06-01

Acknowledgements; List symbols, conventions, and formulary; Part I. The Physical and Mathematical Environment: 1. The physical and mathematical environment; Part II. Quantum Mechanics: 2. First lesson: gaussian integrals; 3. Selected examples; 4. Semiclassical expansion: WKB; 5. Semiclassical expansion: beyond WKB; 6. Quantum dynamics: path integrals and operator formalism; Part III. Methods from Differential Geometry: 7. Symmetries; 8. Homotopy; 9. Grassmann analysis: basics; 10. Grassmann analysis: applications; 11. Volume elements, divergences, gradients; Part IV. Non-Gaussian Applications: 12. Poisson processes in physics; 13. A mathematical theory of Poisson processes; 14. First exit time: energy problems; Part V. Problems in Quantum Field Theory: 15. Renormalization 1: an introduction; 16. Renormalization 2: scaling; 17. Renormalization 3: combinatorics; 18. Volume elements in quantum field theory Bryce DeWitt; Part VI. Projects: 19. Projects; Appendix A. Forward and backward integrals: spaces of pointed paths; Appendix B. Product integrals; Appendix C. A compendium of gaussian integrals; Appendix D. Wick calculus Alexander Wurm; Appendix E. The Jacobi operator; Appendix F. Change of variables of integration; Appendix G. Analytic properties of covariances; Appendix H. Feynman's checkerboard; Bibliography; Index.

Unified semiclassical theory for the two-state system: an analytical solution for general nonadiabatic tunneling.

PubMed

Zhu, Chaoyuan; Lin, Sheng Hsien

2006-07-28

Unified semiclasical solution for general nonadiabatic tunneling between two adiabatic potential energy surfaces is established by employing unified semiclassical solution for pure nonadiabatic transition [C. Zhu, J. Chem. Phys. 105, 4159 (1996)] with the certain symmetry transformation. This symmetry comes from a detailed analysis of the reduced scattering matrix for Landau-Zener type of crossing as a special case of nonadiabatic transition and nonadiabatic tunneling. Traditional classification of crossing and noncrossing types of nonadiabatic transition can be quantitatively defined by the rotation angle of adiabatic-to-diabatic transformation, and this rotational angle enters the analytical solution for general nonadiabatic tunneling. The certain two-state exponential potential models are employed for numerical tests, and the calculations from the present general nonadiabatic tunneling formula are demonstrated in very good agreement with the results from exact quantum mechanical calculations. The present general nonadiabatic tunneling formula can be incorporated with various mixed quantum-classical methods for modeling electronically nonadiabatic processes in photochemistry.

Quantum localization for a kicked rotor with accelerator mode islands.

PubMed

Iomin, A; Fishman, S; Zaslavsky, G M

2002-03-01

Dynamical localization of classical superdiffusion for the quantum kicked rotor is studied in the semiclassical limit. Both classical and quantum dynamics of the system become more complicated under the conditions of mixed phase space with accelerator mode islands. Recently, long time quantum flights due to the accelerator mode islands have been found. By exploration of their dynamics, it is shown here that the classical-quantum duality of the flights leads to their localization. The classical mechanism of superdiffusion is due to accelerator mode dynamics, while quantum tunneling suppresses the superdiffusion and leads to localization of the wave function. Coupling of the regular type dynamics inside the accelerator mode island structures to dynamics in the chaotic sea proves increasing the localization length. A numerical procedure and an analytical method are developed to obtain an estimate of the localization length which, as it is shown, has exponentially large scaling with the dimensionless Planck's constant (tilde)h<1 in the semiclassical limit. Conditions for the validity of the developed method are specified.

Influence of quantum diffraction and shielding on electron-ion collision in two-component semiclassical plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Woo-Pyo; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr; Department of Applied Physics and Department of Bionanotechnology, Hanyang University, Ansan, Kyunggi-Do 426-791

2015-01-15

The influence of quantum diffraction and shielding on the electron-ion collision process is investigated in two-component semiclassical plasmas. The eikonal method and micropotential taking into account the quantum diffraction and shielding are used to obtain the eikonal scattering phase shift and the eikonal collision cross section as functions of the collision energy, density parameter, Debye length, electron de Broglie wavelength, and the impact parameter. The result shows that the quantum diffraction and shielding effects suppress the eikonal scattering phase shift as well as the differential eikonal collision cross section, especially, in small-impact parameter regions. It is also shown that themore » quantum shielding effect on the eikonal collision cross section is more important in low-collision energies. In addition, it is found that the eikonal collision cross section increases with an increase in the density parameter. The variations of the eikonal cross section due to the quantum diffraction and shielding effects are also discussed.« less

Applicability of Quantum Thermal Baths to Complex Many-Body Systems with Various Degrees of Anharmonicity.

PubMed

Hernández-Rojas, Javier; Calvo, Florent; Noya, Eva Gonzalez

2015-03-10

The semiclassical method of quantum thermal baths by colored noise thermostats has been used to simulate various atomic systems in the molecular and bulk limits, at finite temperature and in moderately to strongly anharmonic regimes. In all cases, the method performs relatively well against alternative approaches in predicting correct energetic properties, including in the presence of phase changes, provided that vibrational delocalization is not too strong-neon appearing already as an upper limiting case. In contrast, the dynamical behavior inferred from global indicators such as the root-mean-square bond length fluctuation index or the vibrational spectrum reveals more marked differences caused by zero-point energy leakage, except in the case of isolated molecules with well separated vibrational modes. To correct for such deficiencies and reduce the undesired transfer among modes, empirical modifications of the noise power spectral density were attempted to better describe thermal equilibrium but still failed when used as semiclassical preparation for microcanonical trajectories.

Semi-classical statistical description of Fröhlich condensation.

PubMed

Preto, Jordane

2017-06-01

Fröhlich's model equations describing phonon condensation in open systems of biological relevance are reinvestigated within a semi-classical statistical framework. The main assumptions needed to deduce Fröhlich's rate equations are identified and it is shown how they lead us to write an appropriate form for the corresponding master equation. It is shown how solutions of the master equation can be numerically computed and can highlight typical features of the condensation effect. Our approach provides much more information compared to the existing ones as it allows to investigate the time evolution of the probability density function instead of following single averaged quantities. The current work is also motivated, on the one hand, by recent experimental evidences of long-lived excited modes in the protein structure of hen-egg white lysozyme, which were reported as a consequence of the condensation effect, and, on the other hand, by a growing interest in investigating long-range effects of electromagnetic origin and their influence on the dynamics of biochemical reactions.

Semiclassical spatial correlations in chaotic wave functions.

PubMed

Toscano, Fabricio; Lewenkopf, Caio H

2002-03-01

We study the spatial autocorrelation of energy eigenfunctions psi(n)(q) corresponding to classically chaotic systems in the semiclassical regime. Our analysis is based on the Weyl-Wigner formalism for the spectral average C(epsilon)(q(+),q(-),E) of psi(n)(q(+))psi(*)(n)(q(-)), defined as the average over eigenstates within an energy window epsilon centered at E. In this framework C(epsilon) is the Fourier transform in the momentum space of the spectral Wigner function W(x,E;epsilon). Our study reveals the chord structure that C(epsilon) inherits from the spectral Wigner function showing the interplay between the size of the spectral average window, and the spatial separation scale. We discuss under which conditions is it possible to define a local system independent regime for C(epsilon). In doing so, we derive an expression that bridges the existing formulas in the literature and find expressions for C(epsilon)(q(+),q(-),E) valid for any separation size /q(+)-q(-)/.

An investigation of one- versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions.

PubMed

Greene, Samuel M; Shan, Xiao; Clary, David C

2016-02-28

We investigate which terms in Reduced-Dimensionality Semiclassical Transition State Theory (RD SCTST) contribute most significantly in rate constant calculations of hydrogen extraction and exchange reactions of hydrocarbons. We also investigate the importance of deep tunneling corrections to the theory. In addition, we introduce a novel formulation of the theory in Jacobi coordinates. For the reactions of H atoms with methane, ethane, and cyclopropane, we find that a one-dimensional (1-D) version of the theory without deep tunneling corrections compares well with 2-D SCTST results and accurate quantum scattering results. For the "heavy-light-heavy" H atom exchange reaction between CH3 and CH4, deep tunneling corrections are needed to yield 1-D results that compare well with 2-D results. The finding that accurate rate constants can be obtained from derivatives of the potential along only one dimension further validates RD SCTST as a computationally efficient yet accurate rate constant theory.

Dissipation and decoherence in nanodevices: a generalized Fermi's golden rule

NASA Astrophysics Data System (ADS)

Taj, D.; Iotti, R. C.; Rossi, F.

2009-06-01

We shall revisit the conventional adiabatic or Markov approximation, which—in contrast to the semiclassical case—does not preserve the positive-definite character of the corresponding density matrix, thus leading to highly non-physical results. To overcome this serious limitation, originally pointed out and partially solved by Davies and co-workers almost three decades ago, we shall propose an alternative more general adiabatic procedure, which (i) is physically justified under the same validity restrictions of the conventional Markov approach, (ii) in the semiclassical limit reduces to the standard Fermi's golden rule and (iii) describes a genuine Lindblad evolution, thus providing a reliable/robust treatment of energy-dissipation and dephasing processes in electronic quantum devices. Unlike standard master-equation formulations, the dependence of our approximation on the specific choice of the subsystem (that includes the common partial trace reduction) does not threaten positivity, and quantum scattering rates are well defined even in the case the subsystem is infinitely extended/has a continuous spectrum.

Higher curvature self-interaction corrections to Hawking radiation

NASA Astrophysics Data System (ADS)

Fairoos, C.; Sarkar, Sudipta; Yogendran, K. P.

2017-07-01

The purely thermal nature of Hawking radiation from evaporating black holes leads to the information loss paradox. A possible route to its resolution could be if (enough) correlations are shown to be present in the radiation emitted from evaporating black holes. A reanalysis of Hawking's derivation including the effects of self-interactions in general relativity shows that the emitted radiation does deviate from pure thermality; however no correlations exist between successively emitted Hawking quanta. We extend the calculations to Einstein-Gauss-Bonnet gravity and investigate if higher curvature corrections to the action lead to some new correlations in the Hawking spectra. The effective trajectory of a massless shell is determined by solving the constraint equations and the semiclassical tunneling probability is calculated. As in the case of general relativity, the radiation is no longer thermal and there is no correlation between successive emissions. The absence of any extra correlations in the emitted radiations even in Gauss-Bonnet gravity suggests that the resolution of the paradox is beyond the scope of semiclassical gravity.

Entangled photons from single atoms and molecules

NASA Astrophysics Data System (ADS)

Nordén, Bengt

2018-05-01

The first two-photon entanglement experiment performed 50 years ago by Kocher and Commins (KC) provided isolated pairs of entangled photons from an atomic three-state fluorescence cascade. In view of questioning of Bell's theorem, data from these experiments are re-analyzed and shown sufficiently precise to confirm quantum mechanical and dismiss semi-classical theory without need for Bell's inequalities. Polarization photon correlation anisotropy (A) is useful: A is near unity as predicted quantum mechanically and well above the semi-classic range, 0 ⩽ A ⩽ 1 / 2 . Although yet to be found, one may envisage a three-state molecule emitting entangled photon pairs, in analogy with the KC atomic system. Antibunching in fluorescence from single molecules in matrix and entangled photons from quantum dots promise it be possible. Molecules can have advantages to parametric down-conversion as the latter photon distribution is Poissonian and unsuitable for producing isolated pairs of entangled photons. Analytical molecular applications of entangled light are also envisaged.

Footprints of electron correlation in strong-field double ionization of Kr close to the sequential-ionization regime

NASA Astrophysics Data System (ADS)

Li, Xiaokai; Wang, Chuncheng; Yuan, Zongqiang; Ye, Difa; Ma, Pan; Hu, Wenhui; Luo, Sizuo; Fu, Libin; Ding, Dajun

2017-09-01

By combining kinematically complete measurements and a semiclassical Monte Carlo simulation we study the correlated-electron dynamics in the strong-field double ionization of Kr. Interestingly, we find that, as we step into the sequential-ionization regime, there are still signatures of correlation in the two-electron joint momentum spectrum and, more intriguingly, the scaling law of the high-energy tail is completely different from early predictions on the low-Z atom (He). These experimental observations are well reproduced by our generalized semiclassical model adapting a Green-Sellin-Zachor potential. It is revealed that the competition between the screening effect of inner-shell electrons and the Coulomb focusing of nuclei leads to a non-inverse-square central force, which twists the returned electron trajectory at the vicinity of the parent core and thus significantly increases the probability of hard recollisions between two electrons. Our results might have promising applications ranging from accurately retrieving atomic structures to simulating celestial phenomena in the laboratory.

Berry phase effect on electronic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xiao, Di; Chang, Ming-Che; Niu, Qian

2010-01-01

Ever since its discovery, the Berry phase has permeated through all branches of physics. Over the last three decades, it was gradually realized that the Berry phase of the electronic wave function can have a profound effect on material properties and is responsible for a spectrum of phenomena, such as ferroelectricity, orbital magnetism, various (quantum/anomalous/spin) Hall effects, and quantum charge pumping. This progress is summarized in a pedagogical manner in this review. We start with a brief summary of necessary background, followed by a detailed discussion of the Berry phase effect in a variety of solid state applications. A commonmore » thread of the review is the semiclassical formulation of electron dynamics, which is a versatile tool in the study of electron dynamics in the presence of electromagnetic fields and more general perturbations. Finally, we demonstrate a re-quantization method that converts a semiclassical theory to an effective quantum theory. It is clear that the Berry phase should be added as a basic ingredient to our understanding of basic material properties.« less

Numerical solutions of ideal quantum gas dynamical flows governed by semiclassical ellipsoidal-statistical distribution.

PubMed

Yang, Jaw-Yen; Yan, Chih-Yuan; Diaz, Manuel; Huang, Juan-Chen; Li, Zhihui; Zhang, Hanxin

2014-01-08

The ideal quantum gas dynamics as manifested by the semiclassical ellipsoidal-statistical (ES) equilibrium distribution derived in Wu et al. (Wu et al . 2012 Proc. R. Soc. A 468 , 1799-1823 (doi:10.1098/rspa.2011.0673)) is numerically studied for particles of three statistics. This anisotropic ES equilibrium distribution was derived using the maximum entropy principle and conserves the mass, momentum and energy, but differs from the standard Fermi-Dirac or Bose-Einstein distribution. The present numerical method combines the discrete velocity (or momentum) ordinate method in momentum space and the high-resolution shock-capturing method in physical space. A decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. Computations of two-dimensional Riemann problems are presented, and various contours of the quantities unique to this ES model are illustrated. The main flow features, such as shock waves, expansion waves and slip lines and their complex nonlinear interactions, are depicted and found to be consistent with existing calculations for a classical gas.

Thermoelectric properties of AgSbTe₂ from first-principles calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rezaei, Nafiseh; Akbarzadeh, Hadi; Hashemifar, S. Javad, E-mail: hashemifar@cc.iut.ac.ir

2014-09-14

The structural, electronic, and transport properties of AgSbTe₂ are studied by using full-relativistic first-principles electronic structure calculation and semiclassical description of transport parameters. The results indicate that, within various exchange-correlation functionals, the cubic Fd3⁻m and trigonal R3⁻m structures of AgSbTe₂ are more stable than two other considered structures. The computed Seebeck coefficients at different values of the band gap and carrier concentration are accurately compared with the available experimental data to speculate a band gap of about 0.1–0.35 eV for AgSbTe₂ compound, in agreement with our calculated electronic structure within the hybrid HSE (Heyd-Scuseria-Ernzerhof) functional. By calculating the semiclassical Seebeckmore » coefficient, electrical conductivity, and electronic part of thermal conductivity, we present the theoretical upper limit of the thermoelectric figure of merit of AgSbTe₂ as a function of temperature and carrier concentration.« less

Periodic Toda lattice in quantum mechanics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matsuyama, A.

The quantum mechanical periodic Toda lattice is studied by the direct diagonalization of the Hamiltonian. The eigenstates are classified according to the irreducible representations of the dihedral group D[sub N]. It is shown that Gutzwiller's quantization conditions are satisfied and they have a one-to-one correspondence to the irreducible representation of the D[sub N] group. The authors have also carried out the semiclassical quantization of the periodic Toda lattice by the EBK formulation. The eigenvalues of the semiclassical quantization have a one-to-one correspondence to the integer quantum numbers, and those quantum numbers also have a close relationship to the symmetry ofmore » the state. Numerical calculations have been done for N = 3, 4, 5, and 6 particle periodic Toda lattices. The distributions of the eigenvalues are systematic and distinguished by the symmetry of the state. As illustrative examples, amplitudes of the wave functions and density distributions are shown. 14 refs., 8 figs., 11 tabs.« less

Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system

NASA Astrophysics Data System (ADS)

Daon, Shauli; Pollak, Eli

2015-05-01

The semiclassical perturbation theory of Hubbard and Miller [J. Chem. Phys. 80, 5827 (1984)] is further developed to include the full multi-phonon transitions in atom-surface scattering. A practically applicable expression is developed for the angular scattering distribution by utilising a discretized bath of oscillators, instead of the continuum limit. At sufficiently low surface temperature good agreement is found between the present multi-phonon theory and the previous one-, and two-phonon theory derived in the continuum limit in our previous study [Daon, Pollak, and Miret-Artés, J. Chem. Phys. 137, 201103 (2012)]. The theory is applied to the measured angular distributions of Ne, Ar, and Kr scattered from a Cu(111) surface. We find that the present multi-phonon theory substantially improves the agreement between experiment and theory, especially at the higher surface temperatures. This provides evidence for the importance of multi-phonon transitions in determining the angular distribution as the surface temperature is increased.

Coherence penalty functional: A simple method for adding decoherence in Ehrenfest dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Akimov, Alexey V., E-mail: alexvakimov@gmail.com, E-mail: oleg.prezhdo@rochester.edu; Chemistry Department, Brookhaven National Laboratory, Upton, New York 11973; Long, Run

2014-05-21

We present a new semiclassical approach for description of decoherence in electronically non-adiabatic molecular dynamics. The method is formulated on the grounds of the Ehrenfest dynamics and the Meyer-Miller-Thoss-Stock mapping of the time-dependent Schrödinger equation onto a fully classical Hamiltonian representation. We introduce a coherence penalty functional (CPF) that accounts for decoherence effects by randomizing the wavefunction phase and penalizing development of coherences in regions of strong non-adiabatic coupling. The performance of the method is demonstrated with several model and realistic systems. Compared to other semiclassical methods tested, the CPF method eliminates artificial interference and improves agreement with the fullymore » quantum calculations on the models. When applied to study electron transfer dynamics in the nanoscale systems, the method shows an improved accuracy of the predicted time scales. The simplicity and high computational efficiency of the CPF approach make it a perfect practical candidate for applications in realistic systems.« less

On the initial singularity problem in rainbow cosmology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Santos, Grasiele; Gubitosi, Giulia; Amelino-Camelia, Giovanni, E-mail: grasiele.dossantos@icranet.org, E-mail: g.gubitosi@imperial.ac.uk, E-mail: giovanni.amelino-camelia@roma1.infn.it

2015-08-01

It has been recently claimed that the initial singularity might be avoided in the context of rainbow cosmology, where one attempts to account for quantum-gravitational corrections through an effective-theory description based on an energy-dependent ('rainbow') spacetime metric. We here scrutinize this exciting hypothesis much more in depth than previous analyses. In particular, we take into account all requirements for singularity avoidance, while previously only a subset of these requirements had been considered. Moreover, we show that the implications of a rainbow metric for thermodynamics are more significant than previously appreciated. Through the analysis of two particularly meaningful examples of rainbowmore » metrics we find that our concerns are not merely important conceptually, but actually change in quantitatively significant manner the outcome of the analysis. Notably we only find examples where the singularity is not avoided, though one can have that in the regime where our semi-classical picture is still reliable the approach to the singularity is slowed down when compared to the standard classical scenario. We conclude that the study of rainbow metrics provides tantalizing hints of singularity avoidance but is inconclusive, since some key questions remain to be addressed just when the scale factor is very small, a regime which, as here argued, cannot be reliably described by an effective rainbow-metric picture.« less

Stationary bubbles and their tunneling channels toward trivial geometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Pisin; Yeom, Dong-han; Domènech, Guillem

2016-04-01

In the path integral approach, one has to sum over all histories that start from the same initial condition in order to obtain the final condition as a superposition of histories. Applying this into black hole dynamics, we consider stable and unstable stationary bubbles as a reasonable and regular initial condition. We find examples where the bubble can either form a black hole or tunnel toward a trivial geometry, i.e., with no singularity nor event horizon. We investigate the dynamics and tunneling channels of true vacuum bubbles for various tensions. In particular, in line with the idea of superposition ofmore » geometries, we build a classically stable stationary thin-shell solution in a Minkowski background where its fate is probabilistically given by non-perturbative effects. Since there exists a tunneling channel toward a trivial geometry in the entire path integral, the entire information is encoded in the wave function. This demonstrates that the unitarity is preserved and there is no loss of information when viewed from the entire wave function of the universe, whereas a semi-classical observer, who can see only a definitive geometry, would find an effective loss of information. This may provide a resolution to the information loss dilemma.« less

Zero point energy leakage in condensed phase dynamics: An assessment of quantum simulation methods for liquid water

NASA Astrophysics Data System (ADS)

Habershon, Scott; Manolopoulos, David E.

2009-12-01

The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.

Zero point energy leakage in condensed phase dynamics: an assessment of quantum simulation methods for liquid water.

PubMed

Habershon, Scott; Manolopoulos, David E

2009-12-28

The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.

Stationary bubbles and their tunneling channels toward trivial geometry

DOE PAGES

Chen, Pisin; Domènech, Guillem; Sasaki, Misao; ...

2016-04-07

In the path integral approach, one has to sum over all histories that start from the same initial condition in order to obtain the final condition as a superposition of histories. Applying this into black hole dynamics, we consider stable and unstable stationary bubbles as a reasonable and regular initial condition. We find examples where the bubble can either form a black hole or tunnel toward a trivial geometry, i.e., with no singularity nor event horizon. We investigate the dynamics and tunneling channels of true vacuum bubbles for various tensions. In particular, in line with the idea of superposition ofmore » geometries, we build a classically stable stationary thin-shell solution in a Minkowski background where its fate is probabilistically given by non-perturbative effects. Since there exists a tunneling channel toward a trivial geometry in the entire path integral, the entire information is encoded in the wave function. This demonstrates that the unitarity is preserved and there is no loss of information when viewed from the entire wave function of the universe, whereas a semi-classical observer, who can see only a definitive geometry, would find an effective loss of information. Ultimately, this may provide a resolution to the information loss dilemma.« less

Higher spin gauge theory on fuzzy \\boldsymbol {S^4_N}

NASA Astrophysics Data System (ADS)

Sperling, Marcus; Steinacker, Harold C.

2018-02-01

We examine in detail the higher spin fields which arise on the basic fuzzy sphere S^4N in the semi-classical limit. The space of functions can be identified with functions on classical S 4 taking values in a higher spin algebra associated to \

Boundary conditions for the Swain-Schaad relationship as a criterion for hydrogen tunneling.

PubMed

Kohen, Amnon; Jensen, Jan H

2002-04-17

Hydrogen quantum mechanical tunneling has been suggested to play a role in a wide variety of hydrogen-transfer reactions in chemistry and enzymology. An important experimental criterion for tunneling is based on the breakdown of the semiclassical prediction for the relationship among the rates of the three isotopes of hydrogen (hydrogen -H, deuterium -D, and tritium -T). This is denoted the Swain-Schaad relationship. This study examines the breakdown of the Swain-Schaad relationship as criterion for tunneling. The semiclassical (no tunneling) limit used hereto (e.g., 3.34, for H/T to D/T kinetic isotope effects), was based on simple theoretical considerations of a diatomic cleavage of a stable covalent bond, for example, a C-H bond. Yet, most experimental evidence for a tunneling contribution has come from breakdown of those relationship for a secondary hydrogen, that is, not the hydrogen whose bond is being cleaved but its geminal neighbor. Furthermore, many of the reported experiments have been mixed-labeling experiments, in which a secondary H/T kinetic isotope effect was measured for C-H cleavage, while the D/T secondary effect accompanied C-D cleavage. In experiments of this type, the breakdown of the Swain-Schaad relationship indicates both tunneling and the degree of coupled motion between the primary and secondary hydrogens. We found a new semiclassical limit (e.g., 4.8 for H/T to D/T kinetic isotope effects), whose breakdown can serve as a more reliable experimental evidence for tunneling in this common mixed-labeling experiment. We study the tunneling contribution to C-H bond activation, for which many relevant experimental and theoretical data are available. However, these studies can be applied to any hydrogen-transfer reaction. First, an extension of the original approach was applied, and then vibrational analysis studies were carried out for a model system (the enzyme alcohol dehydrogenase). Finally, the effect of complex kinetics on the observed Swain-Schaad relationship was examined. All three methods yield a new semiclassical limit (4.8), above which tunneling must be considered. Yet, it was found that for many cases the original, localized limit (3.34), holds fairly well. For experimental results that are between the original and new limits (within statistical errors), several methods are suggested that can support or exclude tunneling. These new and clearer criteria provide a basis for future applications of the Swain-Schaad relationship to demonstrate tunneling in complex systems.

Quantum Dynamics and a Semiclassical Description of the Photon.

ERIC Educational Resources Information Center

Henderson, Giles

1980-01-01

Uses computer graphics and nonstationary, superposition wave functions to reveal the dynamic quantum trajectories of several molecular and electronic transitions. These methods are then coupled with classical electromagnetic theory to provide a conceptually clear picture of the emission process and emitted radiation localized in time and space.…

Dependence of Fusion Barrier Heights on the Difference of Proton and Neutron Radii

NASA Astrophysics Data System (ADS)

Dobrowolski, A.; Pomorski, K.; Bartel, J.

2005-04-01

Using the Skyrme effective nucleon--nucleon interaction together with the semiclassical Extended Thomas--Fermi approach (ETF) we investigate the relative change of the fusion barrier heights for the reaction 16O+208Pb as function of the nuclear proton or neutron radii of the colliding nuclei.

A simple expression for the cold compression curve.

NASA Astrophysics Data System (ADS)

Čelebonović, V.

1996-10-01

The aim of this contribution is to present expressions for the bulk modulus of a material and its pressure derivative obtained by using the semi-classical theory of dense matter proposed by P. Savić and R. Kašanin. Some possibilities for the application of these expressions are briefly discussed.

Information retrieval from black holes

NASA Astrophysics Data System (ADS)

Lochan, Kinjalk; Chakraborty, Sumanta; Padmanabhan, T.

2016-08-01

It is generally believed that, when matter collapses to form a black hole, the complete information about the initial state of the matter cannot be retrieved by future asymptotic observers, through local measurements. This is contrary to the expectation from a unitary evolution in quantum theory and leads to (a version of) the black hole information paradox. Classically, nothing else, apart from mass, charge, and angular momentum is expected to be revealed to such asymptotic observers after the formation of a black hole. Semiclassically, black holes evaporate after their formation through the Hawking radiation. The dominant part of the radiation is expected to be thermal and hence one cannot know anything about the initial data from the resultant radiation. However, there can be sources of distortions which make the radiation nonthermal. Although the distortions are not strong enough to make the evolution unitary, these distortions carry some part of information regarding the in-state. In this work, we show how one can decipher the information about the in-state of the field from these distortions. We show that the distortions of a particular kind—which we call nonvacuum distortions—can be used to fully reconstruct the initial data. The asymptotic observer can do this operationally by measuring certain well-defined observables of the quantum field at late times. We demonstrate that a general class of in-states encode all their information content in the correlation of late time out-going modes. Further, using a 1 +1 dimensional dilatonic black hole model to accommodate backreaction self-consistently, we show that observers can also infer and track the information content about the initial data, during the course of evaporation, unambiguously. Implications of such information extraction are discussed.

Evaporation of 2-dimensional black holes

NASA Astrophysics Data System (ADS)

Ramazanoglu, Fethi M.

We present a detailed analysis of results from a new study of the quantum evaporation of Callan-Giddings-Harvey-Strominger (CGHS) black holes within the mean-field approximation. The CGHS model is a two dimensional model of quantum gravity which has been extensively investigated in the last two decades. Moreover, Ashtekar, Taveras and Varadarajan have recently proposed a solution to the information loss paradox within the context of this model, which has rekindled the interest in it. However, many aspects of black hole evaporation in this model has been overlooked because of lack of a solution for black holes with macroscopic mass. We show that this was due to, in part, limited numerical precision and, in part, misinterpretation of certain properties and symmetries of the model. By addressing these issues, we were, for the first time, able to numerically evolve macroscopic-mass black hole spacetimes of the CGHS model within the mean-field approximation, up to the vicinity of the singularity. Our calculations show that, while some of the assumptions underlying the standard evaporation paradigm are borne out, several are not. One of the anticipated properties we confirm is that the semi-classical space-time is asymptotically flat at right future null infinity, I+R , yet incomplete in the sense that null observers reach a future Cauchy horizon in finite affine time. Unexpected behavior includes that the Bondi mass traditionally used in the literature can become negative even when the area of the horizon is macroscopic; an improved Bondi mass remains positive until the end of semi-classical evaporation, yet the final value can be arbitrarily large relative to the Planck mass; and the flux of the quantum radiation at I+R is non-thermal even when the horizon area is large compared to the Planck scale. Furthermore, if the black hole is initially macroscopic, the evaporation process exhibits remarkable universal properties, which offer problems to attack to the mathematical relativity and geometric analysis communities. Our results also provide support for the full quantum scenario developed by Ashtekar et al.

Effects of spatial nonuniformity on laser dynamics.

PubMed

Deych, L I

2005-07-22

Semiclassical equations of lasing dynamics are rederived for a lasing medium in a cavity with a spatially nonuniform dielectric constant. The nonuniformity causes a radiative coupling between modes of the empty cavity, which results in a renormalization of self- and cross-saturation coefficients. Possible manifestations of these effects in random lasers are discussed.

Modeling Synchronization in Networks of Delay-Coupled Fiber Ring Lasers

DTIC Science & Technology

2011-11-21

synchronication of delay-couple oscillators,” Chaos 20, 043127 (2010). 10. J. Mulet , C. Mirasso, T. Heil, and I. Fischer, “Synchronication scenario of two...distant mutually coupled semi- conductor lasers,” J. Opt. B: Quantum Semiclassical Opt. 6, 97–105 (2004). 11. T. Heil, I. Fischer, W. Elsasser, J. Mulet

Phase space deformations in phantom cosmology

NASA Astrophysics Data System (ADS)

López, J. L.; Sabido, M.; Yee-Romero, C.

2018-03-01

We discuss the physical consequences of general phase space deformations on the minisuperspace of phantom cosmology. Based on the principle of physically equivalent descriptions in the deformed theory, we investigate for what values of the deformation parameters the arising descriptions are physically equivalent. We also construct and solve the quantum model and derive the semiclassical dynamics.

Vibrational effects in x-ray absorption and resonant inelastic x-ray scattering using a semiclassical scheme

NASA Astrophysics Data System (ADS)

Ljungberg, Mathias P.

2017-12-01

A method is presented for describing vibrational effects in x-ray absorption spectroscopy and resonant inelastic x-ray scattering (RIXS) using a combination of the classical Franck-Condon (FC) approximation and classical trajectories run on the core-excited state. The formulation of RIXS is an extension of the semiclassical Kramers-Heisenberg formalism of Ljungberg et al. [Phys. Rev. B 82, 245115 (2010), 10.1103/PhysRevB.82.245115] to the resonant case, retaining approximately the same computational cost. To overcome difficulties with connecting the absorption and emission processes in RIXS, the classical FC approximation is used for the absorption, which is seen to work well provided that a zero-point-energy correction is included. In the case of core-excited states with dissociative character, the method is capable of closely reproducing the main features for one-dimensional test systems, compared to the quantum-mechanical formulation. Due to the good accuracy combined with the relatively low computational cost, the method has great potential of being used for complex systems with many degrees of freedom, such as liquids and surface adsorbates.

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. Here, we consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent “spontaneous” emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using themore » SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978)] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.« less

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

NASA Astrophysics Data System (ADS)

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; Martinez, Todd; Chen, Hsing-Ta; Subotnik, Joseph E.

2018-03-01

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent "spontaneous" emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using the SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978), 10.1063/1.436793] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.

Global hybrids from the semiclassical atom theory satisfying the local density linear response.

PubMed

Fabiano, Eduardo; Constantin, Lucian A; Cortona, Pietro; Della Sala, Fabio

2015-01-13

We propose global hybrid approximations of the exchange-correlation (XC) energy functional which reproduce well the modified fourth-order gradient expansion of the exchange energy in the semiclassical limit of many-electron neutral atoms and recover the full local density approximation (LDA) linear response. These XC functionals represent the hybrid versions of the APBE functional [Phys. Rev. Lett. 2011, 106, 186406] yet employing an additional correlation functional which uses the localization concept of the correlation energy density to improve the compatibility with the Hartree-Fock exchange as well as the coupling-constant-resolved XC potential energy. Broad energetic and structural testing, including thermochemistry and geometry, transition metal complexes, noncovalent interactions, gold clusters and small gold-molecule interfaces, as well as an analysis of the hybrid parameters, show that our construction is quite robust. In particular, our testing shows that the resulting hybrid, including 20% of Hartree-Fock exchange and named hAPBE, performs remarkably well for a broad palette of systems and properties, being generally better than popular hybrids (PBE0 and B3LYP). Semiempirical dispersion corrections are also provided.

Big-bounce cosmology from quantum gravity: The case of a cyclical Bianchi I universe

NASA Astrophysics Data System (ADS)

Moriconi, Riccardo; Montani, Giovanni; Capozziello, Salvatore

2016-07-01

We analyze the classical and quantum dynamics of a Bianchi I model in the presence of a small negative cosmological constant characterizing its evolution in term of the dust-time dualism. We demonstrate that in a canonical metric approach, the cosmological singularity is removed in correspondence to a positive defined value of the dust energy density. Furthermore, the quantum big bounce is connected to the Universe's turning point via a well-defined semiclassical limit. Then we can reliably infer that the proposed scenario is compatible with a cyclical universe picture. We also show how, when the contribution of the dust energy density is sufficiently high, the proposed scenario can be extended to the Bianchi IX cosmology and therefore how it can be regarded as a paradigm for the generic cosmological model. Finally, we investigate the origin of the observed cutoff on the cosmological dynamics, demonstrating how the big-bounce evolution can be mimicked by the same semiclassical scenario, where the negative cosmological constant is replaced via a polymer discretization of the Universe's volume. A direct proportionality law between these two parameters is then established.

Semiclassical theory for liquidlike behavior of the frustrated magnet Ca10Cr7O28

NASA Astrophysics Data System (ADS)

Biswas, Sounak; Damle, Kedar

2018-03-01

We identify the low energy effective Hamiltonian that is expected to describe the low temperature properties of the frustrated magnet Ca10Cr7O28 . Motivated by the fact that this effective Hamiltonian has S =3 /2 effective moments as its degrees of freedom, we use semiclassical spin-wave theory to study the T =0 physics of this effective model and argue that singular spin-wave fluctuations destabilize the spiral order favored by the exchange couplings of this effective Hamiltonian. We also use a combination of classical Monte-Carlo simulations and molecular dynamics, as well as analytical approximations, to study the physics at low, nonzero temperatures. The results of these nonzero temperature calculations capture the liquidlike structure factors observed in the temperature range accessed by recent experiments. Additionally, at still lower temperatures, they predict that a transition to nematic order in the bond energies reflects itself in the spin channel in the form of a crossover to a regime with large but finite correlation length for spiral spin correlations and a corresponding slowing down of spin dynamics.

Projective loop quantum gravity. II. Searching for semi-classical states

NASA Astrophysics Data System (ADS)

Lanéry, Suzanne; Thiemann, Thomas

2017-05-01

In the first paper of this series, an extension of the Ashtekar-Lewandowski state space of loop quantum gravity was set up with the help of a projective formalism introduced by Kijowski. The motivation for this work was to achieve a more balanced treatment of the position and momentum variables (also known as holonomies and fluxes). While this is the first step toward the construction of states semi-classical with respect to a full set of observables, one uncovers a deeper issue, which we analyse in the present article in the case of real-valued holonomies. Specifically, we show that, in this case, there does not exist any state on the holonomy-flux algebra in which the variances of the holonomy and flux observables would all be finite, let alone small. It is important to note that this obstruction cannot be bypassed by further enlarging the quantum state space, for it arises from the structure of the algebra itself. A way out would be to suitably restrict the algebra of observables: we take the first step in this direction in a companion paper.

Tunneling method for Hawking radiation in the Nariai case

NASA Astrophysics Data System (ADS)

Belgiorno, F.; Cacciatori, S. L.; Dalla Piazza, F.

2017-08-01

We revisit the tunneling picture for the Hawking effect in light of the charged Nariai manifold, because this general relativistic solution, which displays two horizons, provides the bonus to allow the knowledge of exact solutions of the field equations. We first perform a revisitation of the tunneling ansatz in the framework of particle creation in external fields à la Nikishov, which corroborates the interpretation of the semiclassical emission rate Γ_{emission} as the conditional probability rate for the creation of a couple of particles from the vacuum. Then, particle creation associated with the Hawking effect on the Nariai manifold is calculated in two ways. On the one hand, we apply the Hamilton-Jacobi formalism for tunneling, in the case of a charged scalar field on the given background. On the other hand, the knowledge of the exact solutions for the Klein-Gordon equations on Nariai manifold, and their analytic properties on the extended manifold, allow us a direct computation of the flux of particles leaving the horizon, and, as a consequence, we obtain a further corroboration of the semiclassical tunneling picture from the side of S-matrix formalism.

Simulation of vibrational dephasing of I(2) in solid Kr using the semiclassical Liouville method.

PubMed

Riga, Jeanne M; Fredj, Erick; Martens, Craig C

2006-02-14

In this paper, we present simulations of the decay of quantum coherence between vibrational states of I(2) in its ground (X) electronic state embedded in a cryogenic Kr matrix. We employ a numerical method based on the semiclassical limit of the quantum Liouville equation, which allows the simulation of the evolution and decay of quantum vibrational coherence using classical trajectories and ensemble averaging. The vibrational level-dependent interaction of the I(2)(X) oscillator with the rare-gas environment is modeled using a recently developed method for constructing state-dependent many-body potentials for quantum vibrations in a many-body classical environment [J. M. Riga, E. Fredj, and C. C. Martens, J. Chem. Phys. 122, 174107 (2005)]. The vibrational dephasing rates gamma(0n) for coherences prepared between the ground vibrational state mid R:0 and excited vibrational state mid R:n are calculated as a function of n and lattice temperature T. Excellent agreement with recent experiments performed by Karavitis et al. [Phys. Chem. Chem. Phys. 7, 791 (2005)] is obtained.

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

DOE PAGES

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; ...

2018-03-12

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. Here, we consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent “spontaneous” emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using themore » SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978)] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.« less

Semiclassical Path Integral Calculation of Nonlinear Optical Spectroscopy.

PubMed

Provazza, Justin; Segatta, Francesco; Garavelli, Marco; Coker, David F

2018-02-13

Computation of nonlinear optical response functions allows for an in-depth connection between theory and experiment. Experimentally recorded spectra provide a high density of information, but to objectively disentangle overlapping signals and to reach a detailed and reliable understanding of the system dynamics, measurements must be integrated with theoretical approaches. Here, we present a new, highly accurate and efficient trajectory-based semiclassical path integral method for computing higher order nonlinear optical response functions for non-Markovian open quantum systems. The approach is, in principle, applicable to general Hamiltonians and does not require any restrictions on the form of the intrasystem or system-bath couplings. This method is systematically improvable and is shown to be valid in parameter regimes where perturbation theory-based methods qualitatively breakdown. As a test of the methodology presented here, we study a system-bath model for a coupled dimer for which we compare against numerically exact results and standard approximate perturbation theory-based calculations. Additionally, we study a monomer with discrete vibronic states that serves as the starting point for future investigation of vibronic signatures in nonlinear electronic spectroscopy.

Impact of built-in fields and contact configuration on the characteristics of ultra-thin GaAs solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aeberhard, Urs, E-mail: u.aeberhard@fz-juelich.de

2016-07-18

We discuss the effects of built-in fields and contact configuration on the photovoltaic characteristics of ultra-thin GaAs solar cells. The investigation is based on advanced quantum-kinetic simulations reaching beyond the standard semi-classical bulk picture concerning the consideration of charge carrier states and dynamics in complex potential profiles. The thickness dependence of dark and photocurrent in the ultra-scaled regime is related to the corresponding variation of both, the built-in electric fields and associated modification of the density of states, and the optical intensity in the films. Losses in open-circuit voltage and short-circuit current due to the leakage of electronically and opticallymore » injected carriers at minority carrier contacts are investigated for different contact configurations including electron and hole blocking barrier layers. The microscopic picture of leakage currents is connected to the effect of finite surface recombination velocities in the semi-classical description, and the impact of these non-classical contact regions on carrier generation and extraction is analyzed.« less

A holographic model for black hole complementarity

DOE PAGES

Lowe, David A.; Thorlacius, Larus

2016-12-07

Here, we explore a version of black hole complementarity, where an approximate semiclassical effective field theory for interior infalling degrees of freedom emerges holo-graphically from an exact evolution of exterior degrees of freedom. The infalling degrees of freedom have a complementary description in terms of outgoing Hawking radiation and must eventually decohere with respect to the exterior Hamiltonian, leading to a breakdown of the semiclassical description for an infaller. Trace distance is used to quantify the difference between the complementary time evolutions, and to define a decoherence time. We propose a dictionary where the evolution with respect to the bulkmore » effective Hamiltonian corresponds to mean field evolution in the holographic theory. In a particular model for the holographic theory, which exhibits fast scrambling, the decoherence time coincides with the scrambling time. The results support the hypothesis that decoherence of the infalling holographic state and disruptive bulk effects near the curvature singularity are comple-mentary descriptions of the same physics, which is an important step toward resolving the black hole information paradox.« less

Thermoelectric properties of fully hydrogenated graphene: Semi-classical Boltzmann theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reshak, A. H., E-mail: maalidph@yahoo.co.uk; Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis

2015-06-14

Based on the calculated band structure, the electronic transport coefficients of chair-/boat-like graphane were evaluated by using the semi-classical Boltzmann theory and rigid band model. The maximum value of electrical conductivity for chair (boat)-like graphane of about 1.4 (0.6) × 10{sup 19} (Ωms){sup −1} is achieved at 600 K. The charge carrier concentration and the electrical conductivity linearly increase with increasing the temperature in agreement with the experimental work for graphene. The investigated materials exhibit the highest value of Seebeck coefficient at 300 K. We should emphasize that in the chemical potential between ∓0.125 μ(eV) the investigated materials exhibit minimum value of electronic thermalmore » conductivity, therefore, maximum efficiency. As the temperature increases, the electronic thermal conductivity increases exponentially, in agreement with the experimental data of graphene. We also calculated the power factor of chair-/boat-like graphane at 300 and 600 K as a function of chemical potential between ∓0.25 μ(eV)« less

Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

NASA Astrophysics Data System (ADS)

Sato, Shunsuke A.; Kelly, Aaron; Rubio, Angel

2018-04-01

We introduce a simple ansatz for the wave function of a many-body system based on coupled forward and backward propagating semiclassical trajectories. This method is primarily aimed at, but not limited to, treating nonequilibrium dynamics in electron-phonon systems. The time evolution of the system is obtained from the Euler-Lagrange variational principle, and we show that this ansatz yields Ehrenfest mean-field theory in the limit that the forward and backward trajectories are orthogonal, and in the limit that they coalesce. We investigate accuracy and performance of this method by simulating electronic relaxation in the spin-boson model and the Holstein model. Although this method involves only pairs of semiclassical trajectories, it shows a substantial improvement over mean-field theory, capturing quantum coherence of nuclear dynamics as well as electron-nuclear correlations. This improvement is particularly evident in nonadiabatic systems, where the accuracy of this coupled trajectory method extends well beyond the perturbative electron-phonon coupling regime. This approach thus provides an attractive route forward to the ab initio description of relaxation processes, such as thermalization, in condensed phase systems.

What is dynamics in quantum gravity?

NASA Astrophysics Data System (ADS)

Małkiewicz, Przemysław

2017-10-01

The appearance of the Hamiltonian constraint in the canonical formalism for general relativity reflects the lack of a fixed external time. The dynamics of general relativistic systems can be expressed with respect to an arbitrarily chosen internal degree of freedom, the so-called internal clock. We investigate the way in which the choice of internal clock determines the quantum dynamics and how much different quantum dynamics induced by different clocks are. We develop our method of comparison by extending the Hamilton-Jacobi theory of contact transformations to include a new type of transformation which transforms both the canonical variables and the internal clock. We employ our method to study the quantum dynamics of the Friedmann-Lemaitre model and obtain semiclassical corrections to the classical dynamics, which depend on the choice of internal clock. For a unique quantisation map we find the abundance of inequivalent semiclassical corrections induced by quantum dynamics taking place in different internal clocks. It follows that the concepts like minimal volume, maximal curvature and the number of quantum bounces, often used to describe quantum effects in cosmological models, depend on the choice of internal clock.

Numerical solutions of ideal quantum gas dynamical flows governed by semiclassical ellipsoidal-statistical distribution

PubMed Central

Yang, Jaw-Yen; Yan, Chih-Yuan; Diaz, Manuel; Huang, Juan-Chen; Li, Zhihui; Zhang, Hanxin

2014-01-01

The ideal quantum gas dynamics as manifested by the semiclassical ellipsoidal-statistical (ES) equilibrium distribution derived in Wu et al. (Wu et al. 2012 Proc. R. Soc. A 468, 1799–1823 (doi:10.1098/rspa.2011.0673)) is numerically studied for particles of three statistics. This anisotropic ES equilibrium distribution was derived using the maximum entropy principle and conserves the mass, momentum and energy, but differs from the standard Fermi–Dirac or Bose–Einstein distribution. The present numerical method combines the discrete velocity (or momentum) ordinate method in momentum space and the high-resolution shock-capturing method in physical space. A decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. Computations of two-dimensional Riemann problems are presented, and various contours of the quantities unique to this ES model are illustrated. The main flow features, such as shock waves, expansion waves and slip lines and their complex nonlinear interactions, are depicted and found to be consistent with existing calculations for a classical gas. PMID:24399919

Interface or bulk scattering in the semiclassical theory for spin valves

NASA Astrophysics Data System (ADS)

Wang, L.; McMahon, W. J.; Liu, B.; Wu, Y. H.; Chong, C. T.

2004-06-01

By taking into account spin asymmetries of the interface transmissions and the bulk mean free paths, we have treated pure interface, non-pure interface, bulk, and interface plus bulk scattering within the semiclassical Boltzmann theory. First, the optimizations of NOL (nano-oxide-layers) insertions in bottom, synthetic, and dual spin valves and the variations of the giant magnetoresistance (GMR) with the thickness of the free layer have been examined. For non-pure interface, bulk, and interface plus bulk scattering, qualitative trends of GMR versus NOL positions in spin valves are similar to each other. For pure interface scattering, there is no optimized NOL insertion positions and the blocking effect of the NOL inserted in the spacer remains effective as other three kinds of scattering. The GMR ratio for bulk scattering simply approaches zero when the free layer thickness becomes short; in contrast, for interface scattering or interface plus bulk scattering, the GMR ratio is nonzero at zero thickness of the free layer. Second, the relationships between GMR and specular and diffusive scattering have been explored. As far as specular reflection is concerned, our results imply that for a realistic bottom spin filter spin valve, Ta/NiFe/IrMn/CoFe/Cu/CoFe/Cu/Ta, roughness of the surfaces of Ta and the interfaces of Ta/NiFe, NiFe/IrMn, pinned layer/spacer, and spacer/free layer may lead to large GMR. We also find that the enhancement of GMR due to surface specular reflection is only a pure interface effect. The dependences of GMR on the specular transmissions roughly follow square relations. The trends of GMR against the spin-down diffusive scattering depend on the values of the spin-up transmission. Finally, impurity scattering was investigated and our semiclassical results are in qualitative agreement with the experiments and the quantum theory.

Projective limits of state spaces IV. Fractal label sets

NASA Astrophysics Data System (ADS)

Lanéry, Suzanne; Thiemann, Thomas

2018-01-01

Instead of formulating the state space of a quantum field theory over one big Hilbert space, it has been proposed by Kijowski (1977) to represent quantum states as projective families of density matrices over a collection of smaller, simpler Hilbert spaces (see Lanéry (2016) [1] for a concise introduction to this formalism). One can thus bypass the need to select a vacuum state for the theory, and still be provided with an explicit and constructive description of the quantum state space, at least as long as the label set indexing the projective structure is countable. Because uncountable label sets are much less practical in this context, we develop in the present article a general procedure to trim an originally uncountable label set down to countable cardinality. In particular, we investigate how to perform this tightening of the label set in a way that preserves both the physical content of the algebra of observables and its symmetries. This work is notably motivated by applications to the holonomy-flux algebra underlying Loop Quantum Gravity. Building on earlier work by Okołów (2013), a projective state space was introduced for this algebra in Lanéry and Thiemann (2016). However, the non-trivial structure of the holonomy-flux algebra prevents the construction of satisfactory semi-classical states (Lanéry and Thiemann, 2017). Implementing the general procedure just mentioned in the case of a one-dimensional version of this algebra, we show how a discrete subalgebra can be extracted without destroying universality nor diffeomorphism invariance. On this subalgebra, quantum states can then be constructed which are more regular than was possible on the original algebra. In particular, this allows the design of semi-classical states whose semi-classicality is enforced step by step, starting from collective, macroscopic degrees of freedom and going down progressively toward smaller and smaller scales.

Heat-machine control by quantum-state preparation: from quantum engines to refrigerators.

PubMed

Gelbwaser-Klimovsky, D; Kurizki, G

2014-08-01

We explore the dependence of the performance bounds of heat engines and refrigerators on the initial quantum state and the subsequent evolution of their piston, modeled by a quantized harmonic oscillator. Our goal is to provide a fully quantized treatment of self-contained (autonomous) heat machines, as opposed to their prevailing semiclassical description that consists of a quantum system alternately coupled to a hot or a cold heat bath and parametrically driven by a classical time-dependent piston or field. Here, by contrast, there is no external time-dependent driving. Instead, the evolution is caused by the stationary simultaneous interaction of two heat baths (having distinct spectra and temperatures) with a single two-level system that is in turn coupled to the quantum piston. The fully quantized treatment we put forward allows us to investigate work extraction and refrigeration by the tools of quantum-optical amplifier and dissipation theory, particularly, by the analysis of amplified or dissipated phase-plane quasiprobability distributions. Our main insight is that quantum states may be thermodynamic resources and can provide a powerful handle, or control, on the efficiency of the heat machine. In particular, a piston initialized in a coherent state can cause the engine to produce work at an efficiency above the Carnot bound in the linear amplification regime. In the refrigeration regime, the coefficient of performance can transgress the Carnot bound if the piston is initialized in a Fock state. The piston may be realized by a vibrational mode, as in nanomechanical setups, or an electromagnetic field mode, as in cavity-based scenarios.

Heat-machine control by quantum-state preparation: From quantum engines to refrigerators

NASA Astrophysics Data System (ADS)

Gelbwaser-Klimovsky, D.; Kurizki, G.

2014-08-01

We explore the dependence of the performance bounds of heat engines and refrigerators on the initial quantum state and the subsequent evolution of their piston, modeled by a quantized harmonic oscillator. Our goal is to provide a fully quantized treatment of self-contained (autonomous) heat machines, as opposed to their prevailing semiclassical description that consists of a quantum system alternately coupled to a hot or a cold heat bath and parametrically driven by a classical time-dependent piston or field. Here, by contrast, there is no external time-dependent driving. Instead, the evolution is caused by the stationary simultaneous interaction of two heat baths (having distinct spectra and temperatures) with a single two-level system that is in turn coupled to the quantum piston. The fully quantized treatment we put forward allows us to investigate work extraction and refrigeration by the tools of quantum-optical amplifier and dissipation theory, particularly, by the analysis of amplified or dissipated phase-plane quasiprobability distributions. Our main insight is that quantum states may be thermodynamic resources and can provide a powerful handle, or control, on the efficiency of the heat machine. In particular, a piston initialized in a coherent state can cause the engine to produce work at an efficiency above the Carnot bound in the linear amplification regime. In the refrigeration regime, the coefficient of performance can transgress the Carnot bound if the piston is initialized in a Fock state. The piston may be realized by a vibrational mode, as in nanomechanical setups, or an electromagnetic field mode, as in cavity-based scenarios.

Large discrepancies observed in theoretical studies of ion-impact ionization of the atomic targets at large momentum transfer

NASA Astrophysics Data System (ADS)

Ghorbani, Omid; Ghanbari-Adivi, Ebrahim

2017-12-01

A full quantum mechanical version of the three-body distorted wave-eikonal initial state (3DW-EIS) theory is developed to study of the single ionization of the atomic targets by ion impact at different momentum transfers. The calculations are performed both with and without including the internuclear interaction in the transition amplitude. For 16 \\text{Mev} \\text{O}7+ \\text{-He}~(1s2 ) and 24 \\text{Mev} \\text{O}8+\\text{-Li}~(2s ) collisions, the emission of the active electron into the scattering plane is considered and the fully differential cross-sections (FDCSs) are calculated for a fixed value of the ejected electron energy and a variety of momentum transfers. For both the specified collision systems, the obtained results are compared with the experimental data and with the cross-sections obtained using the semi-classical continuum distorted wave-eikonal initial state (CDW-EIS) approach. For 16 \\text{Mev} \\text{O}7+ \\text{-He}~(1s^2) , we also compared the results with those of a four-body three-Coulomb-wave (3CW) model. In general, we find some large discrepancies between the results obtained by different theories. These discrepancies are much more significant at larger momentum transfers. Also, for some ranges of the electron emission angles the results are much more sensitive to the internuclear interaction to be either turned on or off.

Charge transfer in low-energy collisions of H with He+ and H+ with He in excited states

NASA Astrophysics Data System (ADS)

Loreau, J.; Ryabchenko, S.; Muñoz Burgos, J. M.; Vaeck, N.

2018-04-01

The charge transfer process in collisions of excited (n = 2, 3) hydrogen atoms with He+ and in collisions of excited helium atoms with H+ is studied theoretically. A combination of a fully quantum-mechanical method and a semi-classical approach is employed to calculate the charge-exchange cross sections at collision energies from 0.1 eV u‑1 up to 1 keV u‑1. These methods are based on accurate ab initio potential energy curves and non-adiabatic couplings for the molecular ion HeH+. Charge transfer can occur either in singlet or in triplet states, and the differences between the singlet and triplet spin manifolds are discussed. The dependence of the cross section on the quantum numbers n and l of the initial state is demonstrated. The isotope effect on the charge transfer cross sections, arising at low collision energy when H is substituted by D or T, is investigated. Rate coefficients are calculated for all isotopes up to 106 K. Finally, the impact of the present calculations on models of laboratory plasmas is discussed.

Spinor Bose-Einstein Condensates of Positronium

NASA Astrophysics Data System (ADS)

Wang, Yi-Hsieh; Anderson, Brandon; Clark, Charles

2014-05-01

Bose-Einstein condensates (BECs) of positronium (Ps) have been of experimental and theoretical interest due to their potential application as the gain medium of a γ-ray laser. Ps BECs are intrinsically spinor due to the presence of ortho-positronium (o-Ps) and para-positronium (p-Ps), whose annihilation lifetimes differ by three orders of magnitude. In this paper, we study the spinor dynamics and annihilation processes in the p-Ps/o-Ps system using both solutions of the time-dependent Gross-Pitaevskii equations and a semiclassical rate-equation approach. The spinor interactions have an O (4) symmetry which is broken to SO (3) by an internal energy difference between o-Ps and p-Ps. For an initially unpolarized condensate, there is a threshold density of ~1019 cm-3 at which spin mixing between o-Ps and p-Ps occurs. Beyond this threshold, there are unstable spatial modes accompanied by spin mixing. To ensure a high production yield above the critical density, a careful choice of external field must be made to avoid the spin mixing instability. NSF Physics Frontiers Center, ARO Atomtronics MURI, DARPA OLE.

On the accuracy of the LSC-IVR approach for excitation energy transfer in molecular aggregates

NASA Astrophysics Data System (ADS)

Teh, Hung-Hsuan; Cheng, Yuan-Chung

2017-04-01

We investigate the applicability of the linearized semiclassical initial value representation (LSC-IVR) method to excitation energy transfer (EET) problems in molecular aggregates by simulating the EET dynamics of a dimer model in a wide range of parameter regime and comparing the results to those obtained from a numerically exact method. It is found that the LSC-IVR approach yields accurate population relaxation rates and decoherence rates in a broad parameter regime. However, the classical approximation imposed by the LSC-IVR method does not satisfy the detailed balance condition, generally leading to incorrect equilibrium populations. Based on this observation, we propose a post-processing algorithm to solve the long time equilibrium problem and demonstrate that this long-time correction method successfully removed the deviations from exact results for the LSC-IVR method in all of the regimes studied in this work. Finally, we apply the LSC-IVR method to simulate EET dynamics in the photosynthetic Fenna-Matthews-Olson complex system, demonstrating that the LSC-IVR method with long-time correction provides excellent description of coherent EET dynamics in this typical photosynthetic pigment-protein complex.

Cross Section Calculations and Comparison to Experiment

NASA Technical Reports Server (NTRS)

Townsend, L. W.; Ford, W. P.; Dewet, W. C.; Werneth, C. M.

2016-01-01

Understanding fragmentation of galactic cosmic ray nuclei in collisions within spacecraft structures and human tissues is an important element in assessing biological risk to crew members from this radiation source. Over the past four decades, various models have been developed to describe these important processes. Some models invoke semi-classical concepts based upon geometric descriptions of collisions between spherical nuclei.

On mini-superspace limit of boundary three-point function in Liouville field theory

NASA Astrophysics Data System (ADS)

Apresyan, Elena; Sarkissian, Gor

2017-12-01

We study the mini-superspace semiclassical limit of the boundary three-point function in the Liouville field theory. We compute also matrix elements for the Morse potential quantum mechanics. An exact agreement between the former and the latter is found. We show that both of them are given by the generalized hypergeometric functions.

Bell's Theorem and Einstein's "Spooky Actions" from a Simple Thought Experiment

ERIC Educational Resources Information Center

Kuttner, Fred; Rosenblum, Bruce

2010-01-01

In 1964 John Bell proved a theorem allowing the experimental test of whether what Einstein derided as "spooky actions at a distance" actually exist. We will see that they "do". Bell's theorem can be displayed with a simple, nonmathematical thought experiment suitable for a physics course at "any" level. And a simple, semi-classical derivation of…

Aspects of String Dualities

NASA Astrophysics Data System (ADS)

Orgera, Jacopo

In this thesis we investigate some aspects of String Dualities. In particular, in the context of Twistor-String/Field Theories duality, we present some partial results toward the understanding of Conformal Supergravity amplitudes. Also, in the context of AdS/CFT duality, we investigate: the role of Euclidean Wormholes in quantum de-coherence and the semiclassical decay of certain non-supersimmetric vacua.

Black Hole Interior in Quantum Gravity.

PubMed

Nomura, Yasunori; Sanches, Fabio; Weinberg, Sean J

2015-05-22

We discuss the interior of a black hole in quantum gravity, in which black holes form and evaporate unitarily. The interior spacetime appears in the sense of complementarity because of special features revealed by the microscopic degrees of freedom when viewed from a semiclassical standpoint. The relation between quantum mechanics and the equivalence principle is subtle, but they are still consistent.

Cross-Over Between Different Symmetries

NASA Astrophysics Data System (ADS)

Frauendorf, S.

2014-09-01

The yrast states of even even vibrational and transitional nuclei are interpreted as a rotating condensate of interacting d-bosons. The corresponding semi-classical tidal wave concept is used for microscopic calculations of energies and E2 transition probabilities. The strong octupole correlations in the light rare earth and actinide nuclides are interpreted as rotation-induced condensation of interacting f-bosons.

Possibility of observation of polaron normal modes at the far-infrared spectrum of acetanilide and related organics

NASA Astrophysics Data System (ADS)

Kalosakas, G.; Aubry, S.; Tsironis, G. P.

1998-10-01

We use a stationary and normal mode analysis of the semiclassical Holstein model in order to connect the low-frequency linear polaron modes to low-lying far-infrared lines of the acetanilide spectrum and through parameter fitting we comment on the validity of the polaron results in this system.

Prebifurcation periodic ghost orbits in semiclassical quantization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kus, M.; Haake, F.; Delande, D.

1993-10-04

Classical periodic orbits are stationary-phase points in path integral representations of quantum propagators. We show that complex solutions of the stationary-phase equation, not corresponding to real classical periodic orbits, give additional contributions to the propagator which can be important, especially near bifurcations. We reveal the existence and relevance of such periodic ghost orbits for a kicked top.

Solving the Nose-Hoover thermostat for Nuclear Pasta

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perez Garcia, M. Angeles

2006-06-19

At densities just below nuclear saturation density, there may be possible non-uniform spatial configurations of neutron rich matter. In this work we present a calculation using molecular dynamics techniques for a nuclear system interacting via a semiclassical potential depending on both positions and momenta and kept at fixed temperature by using the Nose-Hoover Thermostat.

Noncommutative gauge theory for Poisson manifolds

NASA Astrophysics Data System (ADS)

Jurčo, Branislav; Schupp, Peter; Wess, Julius

2000-09-01

A noncommutative gauge theory is associated to every Abelian gauge theory on a Poisson manifold. The semi-classical and full quantum version of the map from the ordinary gauge theory to the noncommutative gauge theory (Seiberg-Witten map) is given explicitly to all orders for any Poisson manifold in the Abelian case. In the quantum case the construction is based on Kontsevich's formality theorem.

Magnetothermoelectric properties of layered structures for ion impurity scattering

NASA Astrophysics Data System (ADS)

Figarova, S. R.; Huseynov, H. I.; Figarov, V. R.

2018-05-01

In the paper, longitudinal and transverse thermoelectric powers are considered in a magnetic field parallel to the layer plane for scattering of charge carriers by weakly screened impurity ions. Based on the semiclassical approximation, it is obtained that, depending on the position of the Fermi level relative to the miniband top and superlattice period, the thermoelectric power can change sign and amplify.

Jacobi Shape Transitions Within the LSD Model and the Skyrme-Etf Approach

NASA Astrophysics Data System (ADS)

Bartel, Johann; Pomorski, Krzysztof

The "Modified Funny-Hills parametrisation" is used together with the Lublin-Strasbourg Drop Model to evaluate the stability of rotating nuclei. The Jacobi transition into triaxial shapes is studied. By a comparison with selfconsistent semiclassical calculations in the framework of the Extended Thomas-Fermi method, the validity of the present approach is demonstrated and possible improvements are indicated.

Semiclassical theory of the tunneling anomaly in partially spin-polarized compressible quantum Hall states

NASA Astrophysics Data System (ADS)

Chowdhury, Debanjan; Skinner, Brian; Lee, Patrick A.

2018-05-01

Electron tunneling into a system with strong interactions is known to exhibit an anomaly, in which the tunneling conductance vanishes continuously at low energy due to many-body interactions. Recent measurements have probed this anomaly in a quantum Hall bilayer of the half-filled Landau level, and shown that the anomaly apparently gets stronger as the half-filled Landau level is increasingly spin polarized. Motivated by this result, we construct a semiclassical hydrodynamic theory of the tunneling anomaly in terms of the charge-spreading action associated with tunneling between two copies of the Halperin-Lee-Read state with partial spin polarization. This theory is complementary to our recent work (D. Chowdhury, B. Skinner, and P. A. Lee, arXiv:1709.06091) where the electron spectral function was computed directly using an instanton-based approach. Our results show that the experimental observation cannot be understood within conventional theories of the tunneling anomaly, in which the spreading of the injected charge is driven by the mean-field Coulomb energy. However, we identify a qualitatively new regime, in which the mean-field Coulomb energy is effectively quenched and the tunneling anomaly is dominated by the finite compressibility of the composite Fermion liquid.

Counting statistics of chaotic resonances at optical frequencies: Theory and experiments

NASA Astrophysics Data System (ADS)

Lippolis, Domenico; Wang, Li; Xiao, Yun-Feng

2017-07-01

A deformed dielectric microcavity is used as an experimental platform for the analysis of the statistics of chaotic resonances, in the perspective of testing fractal Weyl laws at optical frequencies. In order to surmount the difficulties that arise from reading strongly overlapping spectra, we exploit the mixed nature of the phase space at hand, and only count the high-Q whispering-gallery modes (WGMs) directly. That enables us to draw statistical information on the more lossy chaotic resonances, coupled to the high-Q regular modes via dynamical tunneling. Three different models [classical, Random-Matrix-Theory (RMT) based, semiclassical] to interpret the experimental data are discussed. On the basis of least-squares analysis, theoretical estimates of Ehrenfest time, and independent measurements, we find that a semiclassically modified RMT-based expression best describes the experiment in all its realizations, particularly when the resonator is coupled to visible light, while RMT alone still works quite well in the infrared. In this work we reexamine and substantially extend the results of a short paper published earlier [L. Wang et al., Phys. Rev. E 93, 040201(R) (2016), 10.1103/PhysRevE.93.040201].

Conditional symmetries in axisymmetric quantum cosmologies with scalar fields and the fate of the classical singularities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zampeli, Adamantia; Pailas, Theodoros; Terzis, Petros A.

2016-05-01

In this paper, the classical and quantum solutions of some axisymmetric cosmologies coupled to a massless scalar field are studied in the context of minisuperspace approximation. In these models, the singular nature of the Lagrangians entails a search for possible conditional symmetries. These have been proven to be the simultaneous conformal symmetries of the supermetric and the superpotential. The quantization is performed by adopting the Dirac proposal for constrained systems, i.e. promoting the first-class constraints to operators annihilating the wave function. To further enrich the approach, we follow [1] and impose the operators related to the classical conditional symmetries onmore » the wave function. These additional equations select particular solutions of the Wheeler-DeWitt equation. In order to gain some physical insight from the quantization of these cosmological systems, we perform a semiclassical analysis following the Bohmian approach to quantum theory. The generic result is that, in all but one model, one can find appropriate ranges of the parameters, so that the emerging semiclassical geometries are non-singular. An attempt for physical interpretation involves the study of the effective energy-momentum tensor which corresponds to an imperfect fluid.« less

Charge Transfer Processes in Collisions of Si4+ Ions with He Atoms at Intermediate Energies

NASA Astrophysics Data System (ADS)

Suzuki, R.; Watanabe, A.; Sato, H.; Gu, J. P.; Hirsch, G.; Buenker, R. J.; Kimura, M.; Stancil, P. C.

Charge transfer in collisions of Si4+ ions with He atoms below 100 keV/u is studied by using a molecular orbital representation within both the semiclassical and quantal representations. Single transfer reaction Si4++He →Si3++He+ has been studied by a number of theoretical investigations. In addition to the reaction (1), the first semiclassical MOCC calculations are performed for the double transfer channel Si4++HE→Si2++He2+ Nine molecular states that connect both with single and double electron transfer processes are considered in the present model. Electronic states and corresponding couplings are determined by the multireference single- and double- excitation configuration interaction method. The present cross sections tie well with the earlier calculations of Stancil et al., Phys. Rev. A 55, 1064 (1997) at lower energies, but show a rather different magnitude from those of Bacchus-Montabonel and Ceyzeriat, Phys. Rev. A 58, 1162 (1998). The present rate constant is found to be significantly different from the experimental finding of Fang and Kwong, Phys. Rev. A 59, 342 (1996) at 4,600 K, and hence does not support the experiment.

Fluctuations of the gluon distribution from the small- x effective action

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dumitru, Adrian; Skokov, Vladimir

The computation of observables in high-energy QCD involves an average over stochastic semiclassical small-x gluon fields. The weight of various configurations is determined by the effective action. We introduce a method to study fluctuations of observables, functionals of the small-x fields, which does not explicitly involve dipoles. We integrate out those fluctuations of the semiclassical gluon field under which a given observable is invariant. Thereby we obtain the effective potential for that observable describing its fluctuations about the average. Here, we determine explicitly the effective potential for the covariant gauge gluon distribution both for the McLerran-Venugopalan (MV) model and formore » a (nonlocal) Gaussian approximation for the small-x effective action. This provides insight into the correlation of fluctuations of the number of hard gluons versus their typical transverse momentum. We find that the spectral shape of the fluctuations of the gluon distribution is fundamentally different in the MV model, where there is a pileup of gluons near the saturation scale, versus the solution of the small-x JIMWLK renormalization group, which generates essentially scale-invariant fluctuations above the absorptive boundary set by the saturation scale.« less

Deterministic generation of remote entanglement with active quantum feedback

DOE PAGES

Martin, Leigh; Motzoi, Felix; Li, Hanhan; ...

2015-12-10

We develop and study protocols for deterministic remote entanglement generation using quantum feedback, without relying on an entangling Hamiltonian. In order to formulate the most effective experimentally feasible protocol, we introduce the notion of average-sense locally optimal feedback protocols, which do not require real-time quantum state estimation, a difficult component of real-time quantum feedback control. We use this notion of optimality to construct two protocols that can deterministically create maximal entanglement: a semiclassical feedback protocol for low-efficiency measurements and a quantum feedback protocol for high-efficiency measurements. The latter reduces to direct feedback in the continuous-time limit, whose dynamics can bemore » modeled by a Wiseman-Milburn feedback master equation, which yields an analytic solution in the limit of unit measurement efficiency. Our formalism can smoothly interpolate between continuous-time and discrete-time descriptions of feedback dynamics and we exploit this feature to derive a superior hybrid protocol for arbitrary nonunit measurement efficiency that switches between quantum and semiclassical protocols. Lastly, we show using simulations incorporating experimental imperfections that deterministic entanglement of remote superconducting qubits may be achieved with current technology using the continuous-time feedback protocol alone.« less

Fluctuations of the gluon distribution from the small- x effective action

DOE PAGES

Dumitru, Adrian; Skokov, Vladimir

2017-09-29

The computation of observables in high-energy QCD involves an average over stochastic semiclassical small-x gluon fields. The weight of various configurations is determined by the effective action. We introduce a method to study fluctuations of observables, functionals of the small-x fields, which does not explicitly involve dipoles. We integrate out those fluctuations of the semiclassical gluon field under which a given observable is invariant. Thereby we obtain the effective potential for that observable describing its fluctuations about the average. Here, we determine explicitly the effective potential for the covariant gauge gluon distribution both for the McLerran-Venugopalan (MV) model and formore » a (nonlocal) Gaussian approximation for the small-x effective action. This provides insight into the correlation of fluctuations of the number of hard gluons versus their typical transverse momentum. We find that the spectral shape of the fluctuations of the gluon distribution is fundamentally different in the MV model, where there is a pileup of gluons near the saturation scale, versus the solution of the small-x JIMWLK renormalization group, which generates essentially scale-invariant fluctuations above the absorptive boundary set by the saturation scale.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bianchi, Eugenio; Speziale, Simone; Dona, Pietro

Intertwiners are the building blocks of spin-network states. The space of intertwiners is the quantization of a classical symplectic manifold introduced by Kapovich and Millson. Here we show that a theorem by Minkowski allows us to interpret generic configurations in this space as bounded convex polyhedra in R{sup 3}: A polyhedron is uniquely described by the areas and normals to its faces. We provide a reconstruction of the geometry of the polyhedron: We give formulas for the edge lengths, the volume, and the adjacency of its faces. At the quantum level, this correspondence allows us to identify an intertwiner withmore » the state of a quantum polyhedron, thus generalizing the notion of the quantum tetrahedron familiar in the loop quantum gravity literature. Moreover, coherent intertwiners result to be peaked on the classical geometry of polyhedra. We discuss the relevance of this result for loop quantum gravity. In particular, coherent spin-network states with nodes of arbitrary valence represent a collection of semiclassical polyhedra. Furthermore, we introduce an operator that measures the volume of a quantum polyhedron and examine its relation with the standard volume operator of loop quantum gravity. We also comment on the semiclassical limit of spin foams with nonsimplicial graphs.« less

Reduced-Dimensionality Semiclassical Transition State Theory: Application to Hydrogen Atom Abstraction and Exchange Reactions of Hydrocarbons.

PubMed

Greene, Samuel M; Shan, Xiao; Clary, David C

2015-12-17

Quantum mechanical methods for calculating rate constants are often intractable for reactions involving many atoms. Semiclassical transition state theory (SCTST) offers computational advantages over these methods but nonetheless scales exponentially with the number of degrees of freedom (DOFs) of the system. Here we present a method with more favorable scaling, reduced-dimensionality SCTST (RD SCTST), that treats only a subset of DOFs of the system explicitly. We apply it to three H abstraction and exchange reactions for which two-dimensional potential energy surfaces (PESs) have previously been constructed and evaluated using RD quantum scattering calculations. We differentiated these PESs to calculate harmonic frequencies and anharmonic constants, which were then used to calculate cumulative reaction probabilities and rate constants by RD SCTST. This method yielded rate constants in good agreement with quantum scattering results. Notably, it performed well for a heavy-light-heavy reaction, even though it does not explicitly account for corner-cutting effects. Recent extensions to SCTST that improve its treatment of deep tunneling were also evaluated within the reduced-dimensionality framework. The success of RD SCTST in this study suggests its potential applicability to larger systems.

Semiclassical gravitational effects on the gravitational lensing in the spacetime of topological defects

NASA Astrophysics Data System (ADS)

Jusufi, Kimet; Rahaman, Farook; Banerjee, Ayan

2018-02-01

The theory of gravitational lensing has revealed many generic and fundamental properties of compact objects like black holes and wormholes. In this article, we utilize a recent formulation to compute the quantum effects on the deflection angle of a light ray, namely, the Gauss-Bonnet theorem (GBT) to explore the semiclassical gravitational effects in the spacetime of a point-like global monopole and a cosmic string. Previously, the Gauss-Bonnet theorem (Gibbons and Werner, 2008) was proposed as an alternative way to compute the deflection angle of light in a static, spherically symmetric and asymptotically flat spacetime. In the present article we have used the celebrated GBT that applied to the optical metric as well as the geodesic method in computing the deflection angle. Interestingly one can observe that we have found an exact result between GBT and the standard approach up to the third-order contributions terms by modifying the domain of integration for cosmic string and global monopole deflection angles. Finally we have considered the time delay in the cosmic string/global monopole spacetime and found that the delay in time is proportional to the linear mass density of the cosmic string and global monopole parameter, respectively.

Analysis of semiclassical approximations in the framework of quantumhadrodynamics

NASA Astrophysics Data System (ADS)

Speicher, C.; Engel, E.; Dreizler, R. M.

1993-10-01

We examine the importance of gradient corrections to the Thomas-Fermi (TF) approximation for the description of semi-infinite nuclear matter and nuclei within the framework of quantumhadrodynamics. The discussion of semi-infinite nuclear matter exhibits most clearly how surface properties depend on the parametrisation of the effective interaction. In agreement with earlier studies it is found that for parametrisations with low effective mass the original extended TF (ETF) equations cannot be solved. We present a scheme to overcome this problem which is very much in the spirit of the semiclassical approach and allows for a solution in any situation. For the case of nuclei the results of the TF and ETF approximations are compared to those of Hartree calculations which serve as a standard in this context. In accordance with the sensitivity of semi-infinite nuclear matter results to the specific parametrisation, ETF does not yield a consistent improvement over TF for all parametrisations. However, by examining a larger number of parametrisations it is shown that those cases where TF results are closer to Hartree data have to be regarded as fortuitous and that on average the agreement between ETF and Hartree results is clearly better.

Noncommutative spherically symmetric spacetimes at semiclassical order

NASA Astrophysics Data System (ADS)

Fritz, Christopher; Majid, Shahn

2017-07-01

Working within the recent formalism of Poisson-Riemannian geometry, we completely solve the case of generic spherically symmetric metric and spherically symmetric Poisson-bracket to find a unique answer for the quantum differential calculus, quantum metric and quantum Levi-Civita connection at semiclassical order O(λ) . Here λ is the deformation parameter, plausibly the Planck scale. We find that r, t, d r, d t are all forced to be central, i.e. undeformed at order λ, while for each value of r, t we are forced to have a fuzzy sphere of radius r with a unique differential calculus which is necessarily nonassociative at order λ2 . We give the spherically symmetric quantisation of the FLRW cosmology in detail and also recover a previous analysis for the Schwarzschild black hole, now showing that the quantum Ricci tensor for the latter vanishes at order λ. The quantum Laplace-Beltrami operator for spherically symmetric models turns out to be undeformed at order λ while more generally in Poisson-Riemannian geometry we show that it deforms to □f+λ2ωαβ(Ricγα-Sγα)(∇^βdf)γ+O(λ2) in terms of the classical Levi-Civita connection \\widehat\

Relativistic space-charge-limited transport in Dirac semiconductor

NASA Astrophysics Data System (ADS)

Ang, Yee Sin; Zubair, M.; Ang, L. K.; Lavoie, Philippe

The theory of space-charge-limited (SCL) current was first formulated by Mott and Gurney more than 70 years ago based on the semiclassical transport of quasi-free electron in dielectric solids. Its validity for recently fabricated 2D materials, which can host different classes of exotic quasiparticles, remains questionable. Recently, SCL transport measurements in 2D Dirac semiconductor, such as MoS2 and hBN monolayers, revealed anomalous current-voltage scaling of J V 1 . 7 which cannot be satisfactorily explained by conventional theories. In this work, we propose a theory of space-charge-limited transport that takes into account the relativistic quasiparticle dynamics in 2D Dirac semiconductor based on semiclassical Boltzmann transport equation. Our relativistic SCL model reveals an unconventional scaling relation of J Vα with 3 / 2 < α < 2 in the trap-free (or trap-filled) regime, which is in stark contrast to the Mott-Gurney relation of α = 2 and the Mark-Helfrich relation of α > 2 . The α < 2 scaling is a unique manifestation of the massive Dirac quasiparticles and is supported by the experimental data of MoS2. The relativistic SCL model proposed here shall provide a physical basis for the modelling of Dirac-material-based devices

Computational comparison of quantum-mechanical models for multistep direct reactions

NASA Astrophysics Data System (ADS)

Koning, A. J.; Akkermans, J. M.

1993-02-01

We have carried out a computational comparison of all existing quantum-mechanical models for multistep direct (MSD) reactions. The various MSD models, including the so-called Feshbach-Kerman-Koonin, Tamura-Udagawa-Lenske and Nishioka-Yoshida-Weidenmüller models, have been implemented in a single computer system. All model calculations thus use the same set of parameters and the same numerical techniques; only one adjustable parameter is employed. The computational results have been compared with experimental energy spectra and angular distributions for several nuclear reactions, namely, 90Zr(p,p') at 80 MeV, 209Bi(p,p') at 62 MeV, and 93Nb(n,n') at 25.7 MeV. In addition, the results have been compared with the Kalbach systematics and with semiclassical exciton model calculations. All quantum MSD models provide a good fit to the experimental data. In addition, they reproduce the systematics very well and are clearly better than semiclassical model calculations. We furthermore show that the calculated predictions do not differ very strongly between the various quantum MSD models, leading to the conclusion that the simplest MSD model (the Feshbach-Kerman-Koonin model) is adequate for the analysis of experimental data.

Classical and quantum entropy of parton distributions

NASA Astrophysics Data System (ADS)

Hagiwara, Yoshikazu; Hatta, Yoshitaka; Xiao, Bo-Wen; Yuan, Feng

2018-05-01

We introduce the semiclassical Wehrl entropy for the nucleon as a measure of complexity of the multiparton configuration in phase space. This gives a new perspective on the nucleon tomography. We evaluate the entropy in the small-x region and compare with the quantum von Neumann entropy. We also argue that the growth of entropy at small x is eventually slowed down due to the Pomeron loop effect.

Quantum and classical chaos in kicked coupled Jaynes-Cummings cavities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hayward, A. L. C.; Greentree, Andrew D.

2010-06-15

We consider two Jaynes-Cummings cavities coupled periodically with a photon hopping term. The semiclassical phase space is chaotic, with regions of stability over some ranges of the parameters. The quantum case exhibits dynamic localization and dynamic tunneling between classically forbidden regions. We explore the correspondence between the classical and quantum phase space and propose an implementation in a circuit QED system.

Irregular wave functions of a hydrogen atom in a uniform magnetic field

NASA Technical Reports Server (NTRS)

Wintgen, D.; Hoenig, A.

1989-01-01

The highly excited irregular wave functions of a hydrogen atom in a uniform magnetic field are investigated analytically, with wave function scarring by periodic orbits considered quantitatively. The results obtained confirm that the contributions of closed classical orbits to the spatial wave functions vanish in the semiclassical limit. Their disappearance, however, is slow. This discussion is illustrated by numerical examples.

Model for Ultrafast Carrier Scattering in Semiconductors

DTIC Science & Technology

2012-11-14

energy transfer between semi-classical carrier drift-diffusion under an electric field and quantum kinetics of interband /intersubband transitions...from an electron during each phonon-emission event. The net rate of phonon emission is determined by the Boltzmann scattering equation which depends ...energy-drift term under a strong dc field was demonstrated to reduce the field- dependent drift velocity and mobility. The Doppler shift in the energy

A quantum model of option pricing: When Black-Scholes meets Schrödinger and its semi-classical limit

NASA Astrophysics Data System (ADS)

Contreras, Mauricio; Pellicer, Rely; Villena, Marcelo; Ruiz, Aaron

2010-12-01

The Black-Scholes equation can be interpreted from the point of view of quantum mechanics, as the imaginary time Schrödinger equation of a free particle. When deviations of this state of equilibrium are considered, as a product of some market imperfection, such as: Transaction cost, asymmetric information issues, short-term volatility, extreme discontinuities, or serial correlations; the classical non-arbitrage assumption of the Black-Scholes model is violated, implying a non-risk-free portfolio. From Haven (2002) [1] we know that an arbitrage environment is a necessary condition to embedding the Black-Scholes option pricing model in a more general quantum physics setting. The aim of this paper is to propose a new Black-Scholes-Schrödinger model based on the endogenous arbitrage option pricing formulation introduced by Contreras et al. (2010) [2]. Hence, we derive a more general quantum model of option pricing, that incorporates arbitrage as an external time dependent force, which has an associated potential related to the random dynamic of the underlying asset price. This new resultant model can be interpreted as a Schrödinger equation in imaginary time for a particle of mass 1/σ2 with a wave function in an external field force generated by the arbitrage potential. As pointed out above, this new model can be seen as a more general formulation, where the perfect market equilibrium state postulated by the Black-Scholes model represent a particular case. Finally, since the Schrödinger equation is in place, we can apply semiclassical methods, of common use in theoretical physics, to find an approximate analytical solution of the Black-Scholes equation in the presence of market imperfections, as it is the case of an arbitrage bubble. Here, as a numerical illustration of the potential of this Schrödinger equation analogy, the semiclassical approximation is performed for different arbitrage bubble forms (step, linear and parabolic) and compare with the exact solution of our general quantum model of option pricing.

CALL FOR PAPERS: Optical solitons

NASA Astrophysics Data System (ADS)

Drummond, P. D.; Haelterman, Marc; Vilaseca, R.

2003-06-01

A topical issue of Journal of Optics B: Quantum and Semiclassical Optics will be devoted to recent advances in optical solitons. The topics to be covered will include, but are not limited to: bulletProperties, control and dynamics of temporal solitons bulletProperties, control and dynamics of spatial solitons bulletCavity solitons in passive and active resonators bulletThree-dimensional spatial solitons bulletDark, bright, grey solitons; interface dynamics bulletCompound or vector solitons; incoherent solitons bulletLight and matter solitons in BEC bulletNonlinear localized structures in microstructured and nanostructured materials (photonic crystals, etc) bulletAngular momentum effects associated with localized light structures; vortex solitons bulletQuantum effects associated with localized light structures bulletInteraction of solitons with atoms and other media bulletApplications of optical solitons The DEADLINE for submission of contributions is 31 July 2003 to allow the topical issue to appear in about February 2004. All papers will be peer-reviewed in accordance with the normal refereeing procedures and standards of Journal of Optics B: Quantum and Semiclassical Optics. Advice on publishing your work in the journal may be found at www.iop.org/journals/authors/jopb. Submissions should ideally be in either standard LaTeX form or Microsoft Word. There are no page charges for publication. In addition to the usual 50 free reprints, the corresponding author of each paper published will receive a complimentary copy of the topical issue. Contributions to the topical issue should if possible be submitted electronically at www.iop.org/journals/jopb. or by e-mail to jopb@iop.org. Authors unable to submit online or by e-mail may send hard copy contributions (enclosing the electronic code) to: Dr Claire Bedrock (Publisher), Journal of Optics B: Quantum and Semiclassical Optics, Institute of Physics Publishing, Dirac House, Temple Back, Bristol BS1 6BE, UK. All contributions should be accompanied by a readme file or covering letter, quoting `JOPB topical issue - Optical Solitons', giving the postal and e-mail addresses for correspondence. Any subsequent change of address should be notified to the publishing office. We look forward to receiving your contribution to this topical issue.

Fully differential cross sections for Li2+-impact ionization of Li(2s) and Li(2p)

NASA Astrophysics Data System (ADS)

Ghorbani, Omid; Ghanbari-Adivi, Ebrahim; Fabian Ciappina, Marcelo

2018-05-01

A semiclassical impact parameter version of the continuum distorted wave-Eikonal initial state theory is developed to study the differential ionization of Li atoms in collisions with Li2+ ions. Both post and prior forms of the transition amplitude are considered. The fully differential cross sections are calculated for the lithium targets in their ground and their first excited states and for the projectile ions at 16 MeV impact energy. The role of the inter-nuclear interaction as well as the significance of the post-prior discrepancy in the ejected electron spectra are investigated. The obtained results for ejection of the electron into the azimuthal plane are compared with the recent measurements and with their corresponding values obtained using a fully quantum mechanical version of the theory. In most of the cases, the consistency of the present approach with the experimental and the quantum theoretical data is reasonable. However, for 2p-state ionization, in the cases where no experimental data exist, there is a considerable difference between the two theoretical approaches. This difference is questionable and further experiments are needed to judge which theory makes a more accurate description of the collision dynamics.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deniz, Coskun, E-mail: coskun.deniz@ege.edu.tr

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

Nonadiabatic Dynamics May Be Probed through Electronic Coherence in Time-Resolved Photoelectron Spectroscopy.

PubMed

Bennett, Kochise; Kowalewski, Markus; Mukamel, Shaul

2016-02-09

We present a hierarchy of Fermi golden rules (FGRs) that incorporate strongly coupled electronic/nuclear dynamics in time-resolved photoelectron spectroscopy (TRPES) signals at different levels of theory. Expansion in the joint electronic and nuclear eigenbasis yields the numerically most challenging exact FGR (eFGR). The quasistatic Fermi Golden Rule (qsFGR) neglects nuclear motion during the photoionization process but takes into account electronic coherences as well as populations initially present in the pumped matter as well as those generated internally by coupling between electronic surfaces. The standard semiclassical Fermi Golden Rule (scFGR) neglects the electronic coherences and the nuclear kinetic energy during the ionizing pulse altogether, yielding the classical Condon approximation. The coherence contributions depend on the phase-profile of the ionizing field, allowing coherent control of TRPES signals. The photoelectron spectrum from model systems is simulated using these three levels of theory. The eFGR and the qsFGR show temporal oscillations originating from the electronic or vibrational coherences generated as the nuclear wave packet traverses a conical intersection. These oscillations, which are missed by the scFGR, directly reveal the time-evolving splitting between electronic states of the neutral molecule in the curve-crossing regime.

Nonequilibrium excitations and transport of Dirac electrons in electric-field-driven graphene

NASA Astrophysics Data System (ADS)

Li, Jiajun; Han, Jong E.

2018-05-01

We investigate nonequilibrium excitations and charge transport in charge-neutral graphene driven with dc electric field by using the nonequilibrium Green's-function technique. Due to the vanishing Fermi surface, electrons are subject to nontrivial nonequilibrium excitations such as highly anisotropic momentum distribution of electron-hole pairs, an analog of the Schwinger effect. We show that the electron-hole excitations, initiated by the Landau-Zener tunneling with a superlinear I V relation I ∝E3 /2 , reaches a steady state dominated by the dissipation due to optical phonons, resulting in a marginally sublinear I V with I ∝E , in agreement with recent experiments. The linear I V starts to show the sign of current saturation as the graphene is doped away from the Dirac point, and recovers the semiclassical relation for the saturated velocity. We give a detailed discussion on the nonequilibrium charge creation and the relation between the electron-phonon scattering rate and the electric field in the steady-state limit. We explain how the apparent Ohmic I V is recovered near the Dirac point. We propose a mechanism where the peculiar nonequilibrium electron-hole creation can be utilized in a infrared device.

Multiscale modeling and computation of optically manipulated nano devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bao, Gang, E-mail: baog@zju.edu.cn; Liu, Di, E-mail: richardl@math.msu.edu; Luo, Songting, E-mail: luos@iastate.edu

2016-07-01

We present a multiscale modeling and computational scheme for optical-mechanical responses of nanostructures. The multi-physical nature of the problem is a result of the interaction between the electromagnetic (EM) field, the molecular motion, and the electronic excitation. To balance accuracy and complexity, we adopt the semi-classical approach that the EM field is described classically by the Maxwell equations, and the charged particles follow the Schrödinger equations quantum mechanically. To overcome the numerical challenge of solving the high dimensional multi-component many-body Schrödinger equations, we further simplify the model with the Ehrenfest molecular dynamics to determine the motion of the nuclei, andmore » use the Time-Dependent Current Density Functional Theory (TD-CDFT) to calculate the excitation of the electrons. This leads to a system of coupled equations that computes the electromagnetic field, the nuclear positions, and the electronic current and charge densities simultaneously. In the regime of linear responses, the resonant frequencies initiating the out-of-equilibrium optical-mechanical responses can be formulated as an eigenvalue problem. A self-consistent multiscale method is designed to deal with the well separated space scales. The isomerization of azobenzene is presented as a numerical example.« less

Predictive Models for Semiconductor Device Design and Processing

NASA Technical Reports Server (NTRS)

Meyyappan, Meyya; Arnold, James O. (Technical Monitor)

1998-01-01

The device feature size continues to be on a downward trend with a simultaneous upward trend in wafer size to 300 mm. Predictive models are needed more than ever before for this reason. At NASA Ames, a Device and Process Modeling effort has been initiated recently with a view to address these issues. Our activities cover sub-micron device physics, process and equipment modeling, computational chemistry and material science. This talk would outline these efforts and emphasize the interaction among various components. The device physics component is largely based on integrating quantum effects into device simulators. We have two parallel efforts, one based on a quantum mechanics approach and the second, a semiclassical hydrodynamics approach with quantum correction terms. Under the first approach, three different quantum simulators are being developed and compared: a nonequlibrium Green's function (NEGF) approach, Wigner function approach, and a density matrix approach. In this talk, results using various codes will be presented. Our process modeling work focuses primarily on epitaxy and etching using first-principles models coupling reactor level and wafer level features. For the latter, we are using a novel approach based on Level Set theory. Sample results from this effort will also be presented.

Pion production via proton synchrotron radiation in strong magnetic fields in relativistic field theory: Scaling relations and angular distributions

DOE PAGES

Maruyama, Tomoyuki; Cheoun, Myung-Ki; Kajino, Toshitaka; ...

2016-03-26

We study pion production by proton synchrotron radiation in the presence of a strong magnetic field when the Landau numbers of the initial and final protons are n(i, f) similar to 10(4)-10(5). We find in our relativistic field theory calculations that the pion decay width depends only on the field strength parameter which previously was only conjectured based upon semi-classical arguments. Moreover, we also find new results that the decay width satisfies a robust scaling relation, and that the polar angular distribution of emitted pion momenta is very narrow and can be easily obtained. This scaling implies that one canmore » infer the decay width in more realistic magnetic fields of 10(15) G, where n(i, f) similar to 10(12)-10(13), from the results for n(i, f) similar to 10(4)-10(5). The resultant pion intensity and angular distributions for realistic magnetic field strengths are presented and their physical implications discussed. (C) 2016 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). Funded by SCOAP(3).« less

Nuclear fluxes during coherent tunnelling in asymmetric double well potentials

NASA Astrophysics Data System (ADS)

Liu, ChunMei; Manz, Jörn; Yang, Yonggang

2015-08-01

Previous results for nuclear fluxes during coherent tunnelling of molecules with symmetric double well potentials are extended to fluxes in asymmetric double well potentials. The theory is derived using the two-state approximation (TSA). The symmetric system serves as a reference. As an example, we consider the one-dimensional model of the tunnelling inversion of oriented ammonia, with semiclassical dipole coupling to an electric field. The tunnelling splitting increases with the dipole coupling by a factor f≥slant 1. The tunnelling time decreases by 1/f. The nuclear density appears as the sum of two parts: The tunnelling part decreases as {1/f}2 times the density of the symmetric reference, whereas the non-tunnelling part is the initial density times ≤ft({{1-1}/f}2\\right). Likewise, the nuclear flux decreases by 1/f, with essentially the same shape as for the symmetric reference, with maximum value at the potential barrier. Coherent nuclear tunnellings starting from the upper or lower wells of the asymmetric potential are equivalent. The results are universal, in the frame of the TSA, hence they allow straightforward extrapolations from one system to others. This is demonstrated by the prediction of isotope effects for five isotopomers of ammonia.

On corpuscular theory of inflation

DOE PAGES

Berezhiani, Lasha

2017-02-16

In order to go beyond the mean-field approximation, commonly used in the inflationary computations, an identification of the quantum constituents of the inflationary background is made. In particular, the homogeneous scalar field configuration is represented as a Bose–Einstein condensate of the off-shell inflaton degrees of freedom, with mass significantly screened by the gravitational binding energy. The gravitational counterpart of the classical background is considered to be a degenerate state of the off-shell longitudinal gravitons with the frequency of the order of the Hubble scale. As a result, the origin of the density perturbations in the slow-roll regime is identified asmore » an uncertainty in the position of the constituent inflatons. While in the regime of eternal inflation, the scattering of the constituent gravitons becomes the relevant source of the density perturbations. The gravitational waves, on the other hand, originate from the annihilation of the constituent longitudinal gravitons at all energy scales. Lastly, this results in the quantum depletion of the classical background, leading to the upper bound on the number of e-folds, after which the semi-classical description is expected to break down; this is estimated to be of the order of the entropy of the initial Hubble patch.« less

De Sitter stability and coarse graining

NASA Astrophysics Data System (ADS)

Markkanen, T.

2018-02-01

We present a 4-dimensional back reaction analysis of de Sitter space for a conformally coupled scalar field in the presence of vacuum energy initialized in the Bunch-Davies vacuum. In contrast to the usual semi-classical prescription, as the source term in the Friedmann equations we use expectation values where the unobservable information hidden by the cosmological event horizon has been neglected i.e. coarse grained over. It is shown that in this approach the energy-momentum is precisely thermal with constant temperature despite the dilution from the expansion of space due to a flux of energy radiated from the horizon. This leads to a self-consistent solution for the Hubble rate, which is gradually evolving and at late times deviates significantly from de Sitter. Our results hence imply de Sitter space to be unstable in this prescription. The solution also suggests dynamical vacuum energy: the continuous flux of energy is balanced by the generation of negative vacuum energy, which accumulatively decreases the overall contribution. Finally, we show that our results admit a thermodynamic interpretation which provides a simple alternate derivation of the mechanism. For very long times the solutions coincide with flat space.

Prediction and Real-Time Compensation of Qubit Decoherence Via Machine Learning (Open Access, Publisher’s Version)

DTIC Science & Technology

2017-01-16

ARTICLE Received 24 Sep 2016 | Accepted 29 Nov 2016 | Published 16 Jan 2017 Prediction and real- time compensation of qubit decoherence via machine...information to suppress stochastic, semiclassical decoherence, even when access to measurements is limited. First, we implement a time -division...quantum information experiments. Second, we employ predictive feedback during sequential but time delayed measurements to reduce the Dick effect as

Monte Carlo solution of Boltzmann equation for a simple model of highly nonequilibrium diatomic gases: Translational rotational energy relaxation

NASA Technical Reports Server (NTRS)

Yoshikawa, K. K.

1978-01-01

The semiclassical transition probability was incorporated in the simulation for energy exchange between rotational and translational energy. The results provide details on the fundamental mechanisms of gas kinetics where analytical methods were impractical. The validity of the local Maxwellian assumption and relaxation time, rotational-translational energy transition, and a velocity analysis of the inelastic collision were discussed in detail.

Quantum chaos inside black holes

NASA Astrophysics Data System (ADS)

Addazi, Andrea

2017-06-01

We show how semiclassical black holes can be reinterpreted as an effective geometry, composed of a large ensemble of horizonless naked singularities (eventually smoothed at the Planck scale). We call these new items frizzy-balls, which can be rigorously defined by Euclidean path integral approach. This leads to interesting implications about information paradoxes. We demonstrate that infalling information will chaotically propagate inside this system before going to the full quantum gravity regime (Planck scale).

Cluster-model calculations of exotic decays from heavy nuclei

NASA Astrophysics Data System (ADS)

Buck, B.; Merchant, A. C.

1989-05-01

A cluster model employing a local, effective cluster-core potential is used to investigate exotic decay from heavy nuclei as a quantum tunneling phenomenon within a semiclassical approximation. Excellent agreement with all reported experimental measurements of the decay widths for 14C and 24Ne emission is obtained. As an added bonus, the width for alpha particle emission from 212Po is also calculated in good agreement with experiment.

Density-Gradient Theory: A Macroscopic Approach to Quantum Confinement and Tunneling in Semiconductor Devices

DTIC Science & Technology

2011-01-01

that are attractive as luminescent biolabels, and possibly also for optoelectronic devices and solar cells . The equilibrium nature of such situations...The boundary layers as- sociated with the diffusion and Debye lengths are familiar, while that of LQ defines the layer in which the quantum in...circuits, transmission lines Diffusion -drift, density-gradient Semi-classical electron dynamics, Boltzmann transport Schrödinger, density- matrix, Wigner

Stark broadening of He I lines

NASA Astrophysics Data System (ADS)

Dimitrijevic, M. S.; Sahal-Brechot, S.

1990-03-01

Results are presented from calculations of the electron-, proton-, and ionized helium-impact line widths and shifts for 77 neutral helium multiplets in the UV, visible, and IR regions of the spectrum. The calculations are performed using a semiclassical perturbation formalism (Sahal-Brechot, 1969). Tables are given for the line widths and shift for He I resonance lines at a perturber density of 10 to the 13th/cu cm.

Hydrodynamic equations for electrons in graphene obtained from the maximum entropy principle

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barletti, Luigi, E-mail: luigi.barletti@unifi.it

2014-08-15

The maximum entropy principle is applied to the formal derivation of isothermal, Euler-like equations for semiclassical fermions (electrons and holes) in graphene. After proving general mathematical properties of the equations so obtained, their asymptotic form corresponding to significant physical regimes is investigated. In particular, the diffusive regime, the Maxwell-Boltzmann regime (high temperature), the collimation regime and the degenerate gas limit (vanishing temperature) are considered.

A new fitting law of rovibrationally inelastic rate constants for rapidly rotating molecules

NASA Astrophysics Data System (ADS)

Strekalov, M. L.

2005-04-01

Semiclassical scattering of a particle from a three-dimensional ellipsoid with internal structure is used to model vibration-rotation-translation (VRT) collisional transfer between atoms and diatomic molecules. The result is a very simple analytical expression containing two variable parameters that have a clear physical meaning. Predictions of the model for the Li 2 + Ne system are in reasonably good agreement with experimental results.

Multiple choices of time in quantum cosmology

NASA Astrophysics Data System (ADS)

Małkiewicz, Przemysław

2015-07-01

It is often conjectured that a choice of time function merely sets up a frame for the quantum evolution of the gravitational field, meaning that all choices should be in some sense compatible. In order to explore this conjecture (and the meaning of compatibility), we develop suitable tools for determining the relation between quantum theories based on different time functions. First, we discuss how a time function fixes a canonical structure on the constraint surface. The presentation includes both the kinematical and the reduced perspective, and the relation between them. Second, we formulate twin theorems about the existence of two inequivalent maps between any two deparameterizations, a formal canonical and a coordinate one. They are used to separate the effects induced by choice of clock and other factors. We show, in an example, how the spectra of quantum observables are transformed under the change of clock and prove, via a general argument, the existence of choice-of-time-induced semiclassical effects. Finally, we study an example, in which we find that the semiclassical discrepancies can in fact be arbitrarily large for dynamical observables. We conclude that the values of critical energy density or critical volume in the bouncing scenarios of quantum cosmology cannot in general be at the Planck scale, and always need to be given with reference to a specific time function.

Essential core of the Hawking–Ellis types

NASA Astrophysics Data System (ADS)

Martín-Moruno, Prado; Visser, Matt

2018-06-01

The Hawking–Ellis (Segre–Plebański) classification of possible stress–energy tensors is an essential tool in analyzing the implications of the Einstein field equations in a more-or-less model-independent manner. In the current article the basic idea is to simplify the Hawking–Ellis type I, II, III, and IV classification by isolating the ‘essential core’ of the type II, type III, and type IV stress–energy tensors; this being done by subtracting (special cases of) type I to simplify the (Lorentz invariant) eigenvalue structure as much as possible without disturbing the eigenvector structure. We will denote these ‘simplified cores’ type II0, type III0, and type IV0. These ‘simplified cores’ have very nice and simple algebraic properties. Furthermore, types I and II0 have very simple classical interpretations, while type IV0 is known to arise semi-classically (in renormalized expectation values of standard stress–energy tensors). In contrast type III0 stands out in that it has neither a simple classical interpretation, nor even a simple semi-classical interpretation. We will also consider the robustness of this classification considering the stability of the different Hawking–Ellis types under perturbations. We argue that types II and III are definitively unstable, whereas types I and IV are stable.

Predictions of the quantum landscape multiverse

NASA Astrophysics Data System (ADS)

Mersini-Houghton, Laura

2017-02-01

The 2015 Planck data release has placed tight constraints on the class of inflationary models allowed. The current best fit region favors concave downwards inflationary potentials, since they produce a suppressed tensor to scalar index ratio r. Concave downward potentials have a negative curvature {{V}\\prime \\prime} , therefore a tachyonic mass square that drives fluctuations. Furthermore, their use can become problematic if the field rolls in a part of the potential away from the extrema, since the semiclassical approximation of quantum cosmology, used for deriving the most probable wavefunction of the universe from the landscape and for addressing the quantum to classical transition, breaks down away from the steepest descent region. We here propose a way of dealing with such potentials by inverting the metric signature and solving for the wavefunction of the universe in the Euclidean sector. This method allows us to extend our theory of the origin of the universe from a quantum multiverse, to a more general class of concave inflationary potentials where a straightforward application of the semiclassical approximation fails. The work here completes the derivation of modifications to the Newtonian potential and to the inflationary potential, which originate from the quantum entanglement of our universe with all others in the quantum landscape multiverse, leading to predictions of observational signatures for both types of inflationary models, concave and convex potentials.

Is the firewall consistent? Gedanken experiments on black hole complementarity and firewall proposal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hwang, Dong-il; Lee, Bum-Hoon; Yeom, Dong-han, E-mail: dongil.j.hwang@gmail.com, E-mail: bhl@sogang.ac.kr, E-mail: innocent.yeom@gmail.com

2013-01-01

In this paper, we discuss the black hole complementarity and the firewall proposal at length. Black hole complementarity is inevitable if we assume the following five things: unitarity, entropy-area formula, existence of an information observer, semi-classical quantum field theory for an asymptotic observer, and the general relativity for an in-falling observer. However, large N rescaling and the AMPS argument show that black hole complementarity is inconsistent. To salvage the basic philosophy of the black hole complementarity, AMPS introduced a firewall around the horizon. According to large N rescaling, the firewall should be located close to the apparent horizon. We investigatemore » the consistency of the firewall with the two critical conditions: the firewall should be near the time-like apparent horizon and it should not affect the future infinity. Concerning this, we have introduced a gravitational collapse with a false vacuum lump which can generate a spacetime structure with disconnected apparent horizons. This reveals a situation that there is a firewall outside of the event horizon, while the apparent horizon is absent. Therefore, the firewall, if it exists, not only does modify the general relativity for an in-falling observer, but also modify the semi-classical quantum field theory for an asymptotic observer.« less

Path integral approach to the Wigner representation of canonical density operators for discrete systems coupled to harmonic baths.

PubMed

Montoya-Castillo, Andrés; Reichman, David R

2017-01-14

We derive a semi-analytical form for the Wigner transform for the canonical density operator of a discrete system coupled to a harmonic bath based on the path integral expansion of the Boltzmann factor. The introduction of this simple and controllable approach allows for the exact rendering of the canonical distribution and permits systematic convergence of static properties with respect to the number of path integral steps. In addition, the expressions derived here provide an exact and facile interface with quasi- and semi-classical dynamical methods, which enables the direct calculation of equilibrium time correlation functions within a wide array of approaches. We demonstrate that the present method represents a practical path for the calculation of thermodynamic data for the spin-boson and related systems. We illustrate the power of the present approach by detailing the improvement of the quality of Ehrenfest theory for the correlation function C zz (t)=Re⟨σ z (0)σ z (t)⟩ for the spin-boson model with systematic convergence to the exact sampling function. Importantly, the numerically exact nature of the scheme presented here and its compatibility with semiclassical methods allows for the systematic testing of commonly used approximations for the Wigner-transformed canonical density.

Pragmatic mode-sum regularization method for semiclassical black-hole spacetimes

NASA Astrophysics Data System (ADS)

Levi, Adam; Ori, Amos

2015-05-01

Computation of the renormalized stress-energy tensor is the most serious obstacle in studying the dynamical, self-consistent, semiclassical evaporation of a black hole in 4D. The difficulty arises from the delicate regularization procedure for the stress-energy tensor, combined with the fact that in practice the modes of the field need to be computed numerically. We have developed a new method for numerical implementation of the point-splitting regularization in 4D, applicable to the renormalized stress-energy tensor as well as to ⟨ϕ2⟩ren , namely the renormalized ⟨ϕ2⟩. So far we have formulated two variants of this method: t -splitting (aimed for stationary backgrounds) and angular splitting (for spherically symmetric backgrounds). In this paper we introduce our basic approach, and then focus on the t -splitting variant, which is the simplest of the two (deferring the angular-splitting variant to a forthcoming paper). We then use this variant, as a first stage, to calculate ⟨ϕ2⟩ren in Schwarzschild spacetime, for a massless scalar field in the Boulware state. We compare our results to previous ones, obtained by a different method, and find full agreement. We discuss how this approach can be applied (using the angular-splitting variant) to analyze the dynamical self-consistent evaporation of black holes.

A quantum relaxation-time approximation for finite fermion systems

NASA Astrophysics Data System (ADS)

Reinhard, P.-G.; Suraud, E.

2015-03-01

We propose a relaxation time approximation for the description of the dynamics of strongly excited fermion systems. Our approach is based on time-dependent density functional theory at the level of the local density approximation. This mean-field picture is augmented by collisional correlations handled in relaxation time approximation which is inspired from the corresponding semi-classical picture. The method involves the estimate of microscopic relaxation rates/times which is presently taken from the well established semi-classical experience. The relaxation time approximation implies evaluation of the instantaneous equilibrium state towards which the dynamical state is progressively driven at the pace of the microscopic relaxation time. As test case, we consider Na clusters of various sizes excited either by a swift ion projectile or by a short and intense laser pulse, driven in various dynamical regimes ranging from linear to strongly non-linear reactions. We observe a strong effect of dissipation on sensitive observables such as net ionization and angular distributions of emitted electrons. The effect is especially large for moderate excitations where typical relaxation/dissipation time scales efficiently compete with ionization for dissipating the available excitation energy. Technical details on the actual procedure to implement a working recipe of such a quantum relaxation approximation are given in appendices for completeness.

Is the firewall consistent? Gedanken experiments on black hole complementarity and firewall proposal

NASA Astrophysics Data System (ADS)

Hwang, Dong-il; Lee, Bum-Hoon; Yeom, Dong-han

2013-01-01

In this paper, we discuss the black hole complementarity and the firewall proposal at length. Black hole complementarity is inevitable if we assume the following five things: unitarity, entropy-area formula, existence of an information observer, semi-classical quantum field theory for an asymptotic observer, and the general relativity for an in-falling observer. However, large N rescaling and the AMPS argument show that black hole complementarity is inconsistent. To salvage the basic philosophy of the black hole complementarity, AMPS introduced a firewall around the horizon. According to large N rescaling, the firewall should be located close to the apparent horizon. We investigate the consistency of the firewall with the two critical conditions: the firewall should be near the time-like apparent horizon and it should not affect the future infinity. Concerning this, we have introduced a gravitational collapse with a false vacuum lump which can generate a spacetime structure with disconnected apparent horizons. This reveals a situation that there is a firewall outside of the event horizon, while the apparent horizon is absent. Therefore, the firewall, if it exists, not only does modify the general relativity for an in-falling observer, but also modify the semi-classical quantum field theory for an asymptotic observer.

Problem of time: facets and Machian strategy.

PubMed

Anderson, Edward

2014-10-01

The problem of time is that "time" in each of ordinary quantum theory and general relativity are mutually incompatible notions. This causes difficulties in trying to put these two theories together to form a theory of quantum gravity. The problem of time has eight facets in canonical approaches. I clarify that all but one of these facets already occur at the classical level, and reconceptualize and re-name some of these facets as follows. The frozen formalism problem becomes temporal relationalism, the thin sandwich problem becomes configurational relationalism, via the notion of best matching. The problem of observables becomes the problem of beables, and the functional evolution problem becomes the constraint closure problem. I also outline how each of the global and multiple-choice problems of time have their own plurality of facets. This article additionally contains a local resolution to the problem of time at the conceptual level and which is actually realizable for the relational triangle and minisuperspace models. This resolution is, moreover, Machian, and has three levels: classical, semiclassical, and a combined semiclassical-histories-timeless records scheme. I end by delineating the current frontiers of this program toward resolution of the problem of time in the cases of full general relativity and of slightly inhomogeneous cosmology. © 2014 New York Academy of Sciences.

Kinetic isotope effects and how to describe them

PubMed Central

Karandashev, Konstantin; Xu, Zhen-Hao; Meuwly, Markus; Vaníček, Jiří; Richardson, Jeremy O.

2017-01-01

We review several methods for computing kinetic isotope effects in chemical reactions including semiclassical and quantum instanton theory. These methods describe both the quantization of vibrational modes as well as tunneling and are applied to the ⋅H + H2 and ⋅H + CH4 reactions. The absolute rate constants computed with the semiclassical instanton method both using on-the-fly electronic structure calculations and fitted potential-energy surfaces are also compared directly with exact quantum dynamics results. The error inherent in the instanton approximation is found to be relatively small and similar in magnitude to that introduced by using fitted surfaces. The kinetic isotope effect computed by the quantum instanton is even more accurate, and although it is computationally more expensive, the efficiency can be improved by path-integral acceleration techniques. We also test a simple approach for designing potential-energy surfaces for the example of proton transfer in malonaldehyde. The tunneling splittings are computed, and although they are found to deviate from experimental results, the ratio of the splitting to that of an isotopically substituted form is in much better agreement. We discuss the strengths and limitations of the potential-energy surface and based on our findings suggest ways in which it can be improved. PMID:29282447

Quantum interference in laser-induced nonsequential double ionization

NASA Astrophysics Data System (ADS)

Quan, Wei; Hao, XiaoLei; Wang, YanLan; Chen, YongJu; Yu, ShaoGang; Xu, SongPo; Xiao, ZhiLei; Sun, RenPing; Lai, XuanYang; Hu, ShiLin; Liu, MingQing; Shu, Zheng; Wang, XiaoDong; Li, WeiDong; Becker, Wilhelm; Liu, XiaoJun; Chen, Jing

2017-09-01

Quantum interference plays an important role in various intense-laser-driven atomic phenomena, e.g., above-threshold ionization and high-order-harmonic generation, and provides a useful tool in ultrafast imaging of atomic and molecular structure and dynamics. However, it has eluded observation in nonsequential double ionization (NSDI), which serves as an ideal prototype to study electron-electron correlation. Thus far, NSDI usually could be well understood from a semiclassical perspective, where all quantum aspects have been ignored after the first electron has tunneled. Here we perform coincidence measurements for NSDI of xenon subject to laser pulses at 2400 nm. It is found that the intensity dependence of the asymmetry parameter between the yields in the second and fourth quadrants and those in the first and third quadrants of the electron-momentum-correlation distributions exhibits a peculiar fast oscillatory structure, which is beyond the scope of the semiclassical picture. Our theoretical analysis indicates that this oscillation can be attributed to interference between the contributions of different excited states in the recollision-excitation-with-subsequent-ionization channel. Our work demonstrates the significant role of quantum interference in NSDI and may create an additional pathway towards manipulation and imaging of the ultrafast atomic and molecular dynamics in intense laser fields.

Line mixing effects in isotropic Raman spectra of pure N{sub 2}: A classical trajectory study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ivanov, Sergey V., E-mail: serg.vict.ivanov@gmail.com; Boulet, Christian; Buzykin, Oleg G.

2014-11-14

Line mixing effects in the Q branch of pure N{sub 2} isotropic Raman scattering are studied at room temperature using a classical trajectory method. It is the first study using an extended modified version of Gordon's classical theory of impact broadening and shift of rovibrational lines. The whole relaxation matrix is calculated using an exact 3D classical trajectory method for binary collisions of rigid N{sub 2} molecules employing the most up-to-date intermolecular potential energy surface (PES). A simple symmetrizing procedure is employed to improve off-diagonal cross-sections to make them obeying exactly the principle of detailed balance. The adequacy of themore » results is confirmed by the sum rule. The comparison is made with available experimental data as well as with benchmark fully quantum close coupling [F. Thibault, C. Boulet, and Q. Ma, J. Chem. Phys. 140, 044303 (2014)] and refined semi-classical Robert-Bonamy [C. Boulet, Q. Ma, and F. Thibault, J. Chem. Phys. 140, 084310 (2014)] results. All calculations (classical, quantum, and semi-classical) were made using the same PES. The agreement between classical and quantum relaxation matrices is excellent, opening the way to the analysis of more complex molecular systems.« less

Nonadiabatic Molecular Dynamics and Orthogonality Constrained Density Functional Theory

NASA Astrophysics Data System (ADS)

Shushkov, Philip Georgiev

The exact quantum dynamics of realistic, multidimensional systems remains a formidable computational challenge. In many chemical processes, however, quantum effects such as tunneling, zero-point energy quantization, and nonadiabatic transitions play an important role. Therefore, approximate approaches that improve on the classical mechanical framework are of special practical interest. We propose a novel ring polymer surface hopping method for the calculation of chemical rate constants. The method blends two approaches, namely ring polymer molecular dynamics that accounts for tunneling and zero-point energy quantization, and surface hopping that incorporates nonadiabatic transitions. We test the method against exact quantum mechanical calculations for a one-dimensional, two-state model system. The method reproduces quite accurately the tunneling contribution to the rate and the distribution of reactants between the electronic states for this model system. Semiclassical instanton theory, an approach related to ring polymer molecular dynamics, accounts for tunneling by the use of periodic classical trajectories on the inverted potential energy surface. We study a model of electron transfer in solution, a chemical process where nonadiabatic events are prominent. By representing the tunneling electron with a ring polymer, we derive Marcus theory of electron transfer from semiclassical instanton theory after a careful analysis of the tunneling mode. We demonstrate that semiclassical instanton theory can recover the limit of Fermi's Golden Rule rate in a low-temperature, deep-tunneling regime. Mixed quantum-classical dynamics treats a few important degrees of freedom quantum mechanically, while classical mechanics describes affordably the rest of the system. But the interface of quantum and classical description is a challenging theoretical problem, especially for low-energy chemical processes. We therefore focus on the semiclassical limit of the coupled nuclear-electronic dynamics. We show that the time-dependent Schrodinger equation for the electrons employed in the widely used fewest switches surface hopping method is applicable only in the limit of nearly identical classical trajectories on the different potential energy surfaces. We propose a short-time decoupling algorithm that restricts the use of the Schrodinger equation only to the interaction regions. We test the short-time approximation on three model systems against exact quantum-mechanical calculations. The approximation improves the performance of the surface hopping approach. Nonadiabatic molecular dynamics simulations require the efficient and accurate computation of ground and excited state potential energy surfaces. Unlike the ground state calculations where standard methods exist, the computation of excited state properties is a challenging task. We employ time-independent density functional theory, in which the excited state energy is represented as a functional of the total density. We suggest an adiabatic-like approximation that simplifies the excited state exchange-correlation functional. We also derive a set of minimal conditions to impose exactly the orthogonality of the excited state Kohn-Sham determinant to the ground state determinant. This leads to an efficient, variational algorithm for the self-consistent optimization of the excited state energy. Finally, we assess the quality of the excitation energies obtained by the new method on a set of 28 organic molecules. The new approach provides results of similar accuracy to time-dependent density functional theory.

Distribution of eigenfrequencies for oscillations of the ground state in the Thomas-Fermi limit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kevrekidis, P. G.; Pelinovsky, D. E.

In this work, we present a systematic derivation of the distribution of eigenfrequencies for oscillations of the ground state of a repulsive Bose-Einstein condensate in the semi-classical (Thomas-Fermi) limit. Our calculations are performed in one, two, and three-dimensional settings. Connections with the earlier work of Stringari, with numerical computations, and with theoretical expectations for invariant frequencies based on symmetry principles are also given.

Static black holes with back reaction from vacuum energy

NASA Astrophysics Data System (ADS)

Ho, Pei-Ming; Matsuo, Yoshinori

2018-03-01

We study spherically symmetric static solutions to the semi-classical Einstein equation sourced by the vacuum energy of quantum fields in the curved space-time of the same solution. We found solutions that are small deformations of the Schwarzschild metric for distant observers, but without horizon. Instead of being a robust feature of objects with high densities, the horizon is sensitive to the energy–momentum tensor in the near-horizon region.

Hawking radiation of Dirac particles from black strings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahmed, Jamil; Saifullah, K., E-mail: jamil_051@yahoo.com, E-mail: saifullah@qau.edu.pk

2011-08-01

Hawking radiation has been studied as a phenomenon of quantum tunneling in different black holes. In this paper we extend this semi-classical approach to cylindrically symmetric black holes. Using the Hamilton-Jacobi method and WKB approximation we calculate the tunneling probabilities of incoming and outgoing Dirac particles from the event horizon and find the Hawking temperature of these black holes. We obtain results both for uncharged as well as charged particles.

Stark broadening of resonant Cr II 3d5-3d44p spectral lines in hot stellar atmospheres

NASA Astrophysics Data System (ADS)

Simić, Z.; Dimitrijević, M. S.; Sahal-Bréchot, S.

2013-07-01

New Stark broadening parameters of interest for the astrophysical, laboratory and technological plasma modelling, investigations and analysis for nine resonant Cr II multiplets have been determined within the semiclassical perturbation approach. In order to demonstrate one possibility for their usage in astrophysical plasma research, obtained results have been applied to the analysis of the Stark broadening influence on stellar spectral line shapes.

Theory for electron transfer from a mixed-valence dimer with paramagnetic sites to a mononuclear acceptor

NASA Astrophysics Data System (ADS)

Bominaar, E. L.; Achim, C.; Borshch, S. A.

1999-06-01

Polynuclear transition-metal complexes, such as Fe-S clusters, are the prosthetic groups in a large number of metalloproteins and serve as temporary electron storage units in a number of important redox-based biological processes. Polynuclearity distinguishes clusters from mononuclear centers and confers upon them unique properties, such as spin ordering and the presence of thermally accessible excited spin states in clusters with paramagnetic sites, and fractional valencies in clusters of the mixed-valence type. In an earlier study we presented an effective-mode (EM) analysis of electron transfer from a binuclear mixed-valence donor with paramagnetic sites to a mononuclear acceptor which revealed that the cluster-specific attributes have an important impact on the kinetics of long-range electron transfer. In the present study, the validity of these results is tested in the framework of more detailed theories which we have termed the multimode semiclassical (SC) model and the quantum-mechanical (QM) model. It is found that the qualitative trends in the rate constant are the same in all treatments and that the semiclassical models provide a good approximation of the more rigorous quantum-mechanical description of electron transfer under physiologically relevant conditions. In particular, the present results corroborate the importance of electron transfer via excited spin states in reactions with a low driving force and justify the use of semiclassical theory in cases in which the QM model is computationally too demanding. We consider cases in which either one or two donor sites of a dimer are electronically coupled to the acceptor. In the case of multiconnectivity, the rate constant for electron transfer from a valence-delocalized (class-III) donor is nonadditive with respect to transfer from individual metal sites of the donor and undergoes an order-of-magnitude change by reversing the sign of the intradimer metal-metal resonance parameter (β). In the case of single connectivity, the rate constant for electron transfer from a valence-localized (class-II) donor can readily be tuned over several orders of magnitude by introducing differences in the electronic potentials at the two metal sites of the donor. These results indicate that theories of cluster-based electron transfer, in order to be realistic, need to consider both intrinsic electronic structure and extrinsic interactions of the cluster with the protein environment.

Call for Papers: Cavity QED

NASA Astrophysics Data System (ADS)

Lange, W.; Gerard, J.-M.

2003-06-01

Cavity QED interactions of light and matter have been investigated in a wide range of systems covering the spectrum from microwaves to optical frequencies, using media as diverse as single atoms and semiconductors. Impressive progress has been achieved technologically as well as conceptually. This topical issue of Journal of Optics B: Quantum and Semiclassical Optics is intended to provide a comprehensive account of the current state of the art of cavity QED by uniting contributions from researchers active across this field. As Guest Editors of this topical issue, we invite manuscripts on current theoretical and experimental work on any aspects of cavity QED. The topics to be covered will include, but are not limited to: bulletCavity QED in optical microcavities bulletSemiconductor cavity QED bulletQuantum dot cavity QED bulletRydberg atoms in microwave cavities bulletPhotonic crystal cavity QED bulletMicrosphere resonators bulletMicrolasers and micromasers bulletMicrodroplets bulletDielectric cavity QED bulletCavity QED-based quantum information processing bulletQuantum state engineering in cavities The DEADLINE for submission of contributions is 31 July 2003 to allow the topical issue to appear in about February 2004. All papers will be peer-reviewed in accordance with the normal refereeing procedures and standards of Journal of Optics B: Quantum and Semiclassical Optics. Advice on publishing your work in the journal may be found at www.iop.org/journals/authors/jopb. Submissions should ideally be in either standard LaTeX form or Microsoft Word. There are no page charges for publication. In addition to the usual 50 free reprints, the corresponding author of each paper published will receive a complimentary copy of the topical issue. Contributions to the topical issue should if possible be submitted electronically at www.iop.org/journals/jopb. or by e-mail to jopb@iop.org. Authors unable to submit online or by e-mail may send hard copy contributions (enclosing the electronic code) to: Dr Claire Bedrock (Publisher), Journal of Optics B: Quantum and Semiclassical Optics, Institute of Physics Publishing, Dirac House, Temple Back, Bristol BS1 6BE, UK. All contributions should be accompanied by a readme file or covering letter, quoting `JOPB topical issue - Cavity QED', giving the postal and e-mail addresses for correspondence. Any subsequent change of address should be notified to the publishing office. We look forward to receiving your contribution to this topical issue.

CALL FOR PAPERS: Quantum control

NASA Astrophysics Data System (ADS)

Mancini, Stefano; Wiseman, Howard M.; Man'ko, Vladimir I.

2004-10-01

Over the last few decades, the achievements of highly precise technologies for manipulating systems at quantum scales have paved the way for the development of quantum control. Moreover, the proliferation of results in quantum information suggest that control theory might profitably be re-examined from this perspective. Journal of Optics B: Quantum and Semiclassical Optics will publish a topical issue devoted to quantum control. The Guest Editors invite contributions from researchers working in any area related to quantum control. Topics to be covered include: • Quantum Hamiltonian dynamics and programming control • Quantum decoherence control • Open loop control • Closed loop (feedback) control • Quantum measurement theory • Quantum noise and filtering • Estimation and decision theory • Quantum error correction • Group representation in quantum control • Coherent control in quantum optics and lasers • Coherent control in cavity QED and atom optics • Coherent control in molecular dynamics The topical issue is scheduled for publication in November 2005 and the DEADLINE for submission of contributions is 28 February 2005. All contributions will be peer-reviewed in accordance with the normal refereeing procedures and standards of Journal of Optics B: Quantum and Semiclassical Optics. Submissions should preferably be in either standard LaTeX form or Microsoft Word. Advice on publishing your work in the journal may be found at www.iop.org/journals/authors/jopb. Enquiries regarding this topical issue may be addressed to the Publisher, Dr Claire Bedrock (claire.bedrock@iop.org). There are no page charges for publication. The corresponding author of each paper published will receive a complimentary copy of the topical issue. Contributions to the topical issue should preferably be submitted electronically at www.iop.org/journals/authors/jopb or by e-mail to jopb@iop.org. Authors unable to submit online or by e-mail may send hard copy contributions (enclosing the electronic code) to: Journal of Optics B: Quantum and Semiclassical Optics, Institute of Physics Publishing, Dirac House, Temple Back, Bristol BS1 6BE, UK. All contributions should be accompanied by a readme file or covering letter, quoting `JOPB Topical Issue - Quantum control', giving the postal and e-mail addresses for correspondence. Any subsequent change of address should be notified to the publishing office. We look forward to receiving your contribution to this topical issue.

Terahertz-Radiation-Enhanced Emission of Fluorescence from Gas Plasma

NASA Astrophysics Data System (ADS)

Liu, Jingle; Zhang, X.-C.

2009-12-01

We report the study of femtosecond laser-induced air plasma fluorescence under the illumination of terahertz (THz) pulses. Semiclassical modeling and experimental verification indicate that time-resolved THz radiation-enhanced emission of fluorescence is dominated by the electron kinetics and the electron-impact excitation of gas molecules or ions. We demonstrate that the temporal waveform of the THz field could be retrieved from the transient enhanced fluorescence, making omnidirectional, coherent detection available for THz time-domain spectroscopy.

Monte Carlo Analysis of Quantum Transport and Fluctuations in Semiconductor 2

DTIC Science & Technology

1988-02-01

predicted by quantum transport theory is less than that predicted by classical transport for t < 0.1ps as shown in Fig.2.19. 29 2.2.5 Semiclassical Limit...terms containing any number of OUT scattering events between two given IN scattering can be summed up analitically . Let us consider, for example, the...fields), where analitical techniques cannot be succesfully applied without introducing severe approximations. Furthermore, a direct simulafion of the

Phenomenological implications of an alternative Hamiltonian constraint for quantum cosmology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kagan, Mikhail

2005-11-15

In this paper we review a model based on loop quantum cosmology that arises from a symmetry reduction of the self-dual Plebanski action. In this formulation the symmetry reduction leads to a very simple Hamiltonian constraint that can be quantized explicitly in the framework of loop quantum cosmology. We investigate the phenomenological implications of this model in the semiclassical regime and compare those with the known results of the standard Loop Quantum Cosmology.

Quantum information processing by a continuous Maxwell demon

NASA Astrophysics Data System (ADS)

Stevens, Josey; Deffner, Sebastian

Quantum computing is believed to be fundamentally superior to classical computing; however quantifying the specific thermodynamic advantage has been elusive. Experimentally motivated, we generalize previous minimal models of discrete demons to continuous state space. Analyzing our model allows one to quantify the thermodynamic resources necessary to process quantum information. By further invoking the semi-classical limit we compare the quantum demon with its classical analogue. Finally, this model also serves as a starting point to study open quantum systems.

Dyakonov-Shur instability across the ballistic-to-hydrodynamic crossover

NASA Astrophysics Data System (ADS)

Mendl, Christian B.; Lucas, Andrew

2018-03-01

We numerically solve semiclassical kinetic equations and compute the growth rate of the Dyakonov-Shur instability of a two-dimensional Fermi liquid in a finite length cavity. When electron-electron scattering is fast, we observe the well-understood hydrodynamic instability and its disappearance due to viscous dissipation. When electron-electron scattering is negligible, we find that the instability re-emerges for certain boundary conditions but not for others. We discuss the implications of these findings for experiments.

Dyakonov-Shur instability across the ballistic-to-hydrodynamic crossover

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mendl, Christian B.; Lucas, Andrew

Here, we numerically solve semiclassical kinetic equations and compute the growth rate of the Dyakonov-Shur instability of a two-dimensional Fermi liquid in a finite length cavity. When electron-electron scattering is fast, we observe the well-understood hydrodynamic instability and its disappearance due to viscous dissipation. When electron-electron scattering is negligible, we find that the instability re-emerges for certain boundary conditions but not for others. We discuss the implications of these findings for experiments.

Predissociation of tif by tunneling

NASA Astrophysics Data System (ADS)

Wolf, U.; Tiemann, E.

1987-01-01

The UV spectra of the B 3Π 1-X 1Σ + transition in TIF were recorded applying frequency-doubled laser radiation and fluorescence or direct absorption detection. The observed J' -dependent predissociation in the upper levels v' = 2 and v' = 3 is explained quantitatively by invoking tunneling through a potential hump. The line positions and widths are fitted to a potential curve of the B 3Π 1 state using the semiclassical approximation for bound and quasibound levels.

Black holes in loop quantum gravity: the complete space-time.

PubMed

Gambini, Rodolfo; Pullin, Jorge

2008-10-17

We consider the quantization of the complete extension of the Schwarzschild space-time using spherically symmetric loop quantum gravity. We find an exact solution corresponding to the semiclassical theory. The singularity is eliminated but the space-time still contains a horizon. Although the solution is known partially numerically and therefore a proper global analysis is not possible, a global structure akin to a singularity-free Reissner-Nordström space-time including a Cauchy horizon is suggested.

A remark on the energy conditions for Hawking's area theorem

NASA Astrophysics Data System (ADS)

Lesourd, Martin

2018-06-01

Hawking's area theorem is a fundamental result in black hole theory that is universally associated with the null energy condition. That this condition can be weakened is illustrated by the formulation of a strengthened version of the theorem based on an energy condition that allows for violations of the null energy condition. With the semi-classical context in mind, some brief remarks pertaining to the suitability of the area theorem and its energy condition are made.

Processes of energy deposition by heavy-particle and electron impact. Final progress report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salop, A.; Smith, F.T.

1978-04-18

Progress is reported in three areas of reasearch during the present period: K-shell ionization in high energy collisions of heavy ions with light target atoms using the sudden (Magnus) approximation, K-L level matching phenomena associated with K-shell vacancy production in heavy-ion collisions, and studies of low energy collisions of electrons with molecules using semi-classical perturbation theory. A brief discussion of each of these activities is given.

Polariton-acoustic-phonon interaction in a semiconductor microcavity

NASA Astrophysics Data System (ADS)

Cassabois, G.; Triques, A. L. C.; Bogani, F.; Delalande, C.; Roussignol, Ph.; Piermarocchi, C.

2000-01-01

The broadening of polariton lines by acoustic phonons is investigated in a semiconductor microcavity by means of interferometric correlation measurements with subpicosecond resolution. A decrease of the polariton-acoustic phonon coupling is clearly observed for the lower polariton branch as one approaches the resonance between exciton and photon states. This behavior cannot be explained in terms of a semiclassical linear dispersion theory but requires a full quantum description of the microcavity in the strong-coupling regime.

Dyakonov-Shur instability across the ballistic-to-hydrodynamic crossover

DOE PAGES

Mendl, Christian B.; Lucas, Andrew

2018-03-19

Here, we numerically solve semiclassical kinetic equations and compute the growth rate of the Dyakonov-Shur instability of a two-dimensional Fermi liquid in a finite length cavity. When electron-electron scattering is fast, we observe the well-understood hydrodynamic instability and its disappearance due to viscous dissipation. When electron-electron scattering is negligible, we find that the instability re-emerges for certain boundary conditions but not for others. We discuss the implications of these findings for experiments.

Neutron interference in the Earth's gravitational field

NASA Astrophysics Data System (ADS)

Galiautdinov, Andrei; Ryder, Lewis H.

2017-06-01

This work relates to the famous experiments, performed in 1975 and 1979 by Werner et al., measuring neutron interference and neutron Sagnac effects in the earth's gravitational field. Employing the method of Stodolsky in its weak field approximation, explicit expressions are derived for the two phase shifts, which turn out to be in agreement with the experiments and with the previously obtained expressions derived from semi-classical arguments: these expressions are simply modified by relativistic correction factors.

Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, Alexander J.; Center for Nonlinear Studies; Gorshkov, Vyacheslav N.

2014-11-14

Modeling the dynamics of photophysical and (photo)chemical reactions in extended molecular systems is a new frontier for quantum chemistry. Many dynamical phenomena, such as intersystem crossing, non-radiative relaxation, and charge and energy transfer, require a non-adiabatic description which incorporate transitions between electronic states. Additionally, these dynamics are often highly sensitive to quantum coherences and interference effects. Several methods exist to simulate non-adiabatic dynamics; however, they are typically either too expensive to be applied to large molecular systems (10's-100's of atoms), or they are based on ad hoc schemes which may include severe approximations due to inconsistencies in classical and quantummore » mechanics. We present, in detail, an algorithm based on Monte Carlo sampling of the semiclassical time-dependent wavefunction that involves running simple surface hopping dynamics, followed by a post-processing step which adds little cost. The method requires only a few quantities from quantum chemistry calculations, can systematically be improved, and provides excellent agreement with exact quantum mechanical results. Here we show excellent agreement with exact solutions for scattering results of standard test problems. Additionally, we find that convergence of the wavefunction is controlled by complex valued phase factors, the size of the non-adiabatic coupling region, and the choice of sampling function. These results help in determining the range of applicability of the method, and provide a starting point for further improvement.« less

Ab Initio Theoretical Studies on the Kinetics of Hydrogen Abstraction Type Reactions of Hydroxyl Radicals with CH3CCl2F and CH3CClF2

NASA Astrophysics Data System (ADS)

Saheb, Vahid; Maleki, Samira

2018-03-01

The hydrogen abstraction reactions from CH3Cl2F (R-141b) and CH3CClF2 (R-142b) by OH radicals are studied theoretically by semi-classical transition state theory. The stationary points for the reactions are located by using KMLYP density functional method along with 6-311++G(2 d,2 p) basis set and MP2 method along with 6-311+G( d, p) basis set. Single-point energy calculations are performed by the CBS-Q and G4 combination methods on the geometries optimized at the KMLYP/6-311++G(2 d,2 p) level of theory. Vibrational anharmonicity coefficients, x ij , which are needed for semi-classical transition state theory calculations, are computed at the KMLYP/6-311++G(2 d,2 p) and MP2/6-311+G( d, p) levels of theory. The computed barrier heights are slightly sensitive to the quantum-chemical method. Thermal rate coefficients are computed over the temperature range from 200 to 2000 K and they are shown to be in accordance with available experimental data. On the basis of the computed rate coefficients, the tropospheric lifetime of the CH3CCl2F and CH3CClF2 are estimated to be about 6.5 and 12.0 years, respectively.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Donangelo, R.J.

An integral representation for the classical limit of the quantum mechanical S-matrix is developed and applied to heavy-ion Coulomb excitation and Coulomb-nuclear interference. The method combines the quantum principle of superposition with exact classical dynamics to describe the projectile-target system. A detailed consideration of the classical trajectories and of the dimensionless parameters that characterize the system is carried out. The results are compared, where possible, to exact quantum mechanical calculations and to conventional semiclassical calculations. It is found that in the case of backscattering the classical limit S-matrix method is able to almost exactly reproduce the quantum-mechanical S-matrix elements, andmore » therefore the transition probabilities, even for projectiles as light as protons. The results also suggest that this approach should be a better approximation for heavy-ion multiple Coulomb excitation than earlier semiclassical methods, due to a more accurate description of the classical orbits in the electromagnetic field of the target nucleus. Calculations using this method indicate that the rotational excitation probabilities in the Coulomb-nuclear interference region should be very sensitive to the details of the potential at the surface of the nucleus, suggesting that heavy-ion rotational excitation could constitute a sensitive probe of the nuclear potential in this region. The application to other problems as well as the present limits of applicability of the formalism are also discussed.« less

Statistical effects in large N supersymmetric gauge theories

NASA Astrophysics Data System (ADS)

Czech, Bartlomiej Stanislaw

This thesis discusses statistical simplifications arising in supersymmetric gauge theories in the limit of large rank. Applications involve the physics of black holes and the problem of predicting the low energy effective theory from a landscape of string vacua. The first part of this work uses the AdS/CFT correspondence to explain properties of black holes. We establish that in the large charge sector of toric quiver gauge theories there exists a typical state whose structure is closely mimicked by almost all other states. Then, working in the settings of the half-BPS sector of N = 4 super-Yang-Mills theory, we show that in the dual gravity theory semiclassical observations cannot distinguish a pair of geometries corresponding to two generic heavy states. Finally, we argue on general grounds that these conclusions are exponentially enhanced in quantum cosmological settings. The results establish that one may consistently account for the entropy of a black hole with heavy states in the dual field theory and suggest that the usual properties of black holes arise as artifacts of imposing a semiclassical description on a quantum system. In the second half we develop new tools to determine the infrared behavior of quiver gauge theories in a certain class. We apply the dynamical results to a toy model of the landscape of effective field theories defined at some high energy scale, and derive firm statistical predictions for the low energy effective theory.

EDITORIAL: Future developments

NASA Astrophysics Data System (ADS)

Lange, Wulf

2004-02-01

Some five years ago, Ennio Arimondo become Editor-in-Chief of Journal of Optics B: Quantum and Semiclassical Optics, following a change of title and other substantial changes. During that time he has established the journal as a prime platform for presenting scientific material in the field of quantum and semiclassical optics. By diligently incorporating new topics as they arose in neighbouring fields, he has contributed substantially towards creating permanent growth and has demonstrated the vitality of our branch of optics. It is a pleasure and an honour for me to assume now the role of the Editor-in-Chief and to succeed Ennio under these favourable circumstances. At present I do not see a need, nor even any justification, for fundamental changes in the editorial policy of the journal, and propose to follow the proven tradition of my successful predecessors. The journal has already adopted procedures for driving up the overall quality of published articles and, looking to the future, we expect to continue raising the scientific quality and international standing of the journal, coupled with a controlled growth in the number of pages published. Fortunately, there are no limitations for such qualitative improvements. I will seek to maintain and extend the high standards established by Ennio Arimondo, and before him by Paul Mandel, and to continue providing a high-quality product that attracts the best international authors and offers true value for the reader.

Asymptotic Analysis of the Ponzano-Regge Model with Non-Commutative Metric Boundary Data

NASA Astrophysics Data System (ADS)

Oriti, Daniele; Raasakka, Matti

2014-06-01

We apply the non-commutative Fourier transform for Lie groups to formulate the non-commutative metric representation of the Ponzano-Regge spin foam model for 3d quantum gravity. The non-commutative representation allows to express the amplitudes of the model as a first order phase space path integral, whose properties we consider. In particular, we study the asymptotic behavior of the path integral in the semi-classical limit. First, we compare the stationary phase equations in the classical limit for three different non-commutative structures corresponding to the symmetric, Duflo and Freidel-Livine-Majid quantization maps. We find that in order to unambiguously recover discrete geometric constraints for non-commutative metric boundary data through the stationary phase method, the deformation structure of the phase space must be accounted for in the variational calculus. When this is understood, our results demonstrate that the non-commutative metric representation facilitates a convenient semi-classical analysis of the Ponzano-Regge model, which yields as the dominant contribution to the amplitude the cosine of the Regge action in agreement with previous studies. We also consider the asymptotics of the SU(2) 6j-symbol using the non-commutative phase space path integral for the Ponzano-Regge model, and explain the connection of our results to the previous asymptotic results in terms of coherent states.

Search for black holes and sphalerons in high-multiplicity final states in proton-proton collisions at $$\\sqrt{s} =$$ 13 TeV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sirunyan, Albert M; et al.

A search in energetic, high-multiplicity final states for evidence of physics beyond the standard model, such as black holes, string balls, and electroweak sphalerons, is presented. The data sample corresponds to an integrated luminosity of 35.9 fbmore » $$^{-1}$$ collected with the CMS experiment at the LHC in proton-proton collisions at a center-of-mass energy of 13 TeV in 2016. Standard model backgrounds, dominated by multijet production, are determined from control regions in data without any reliance on simulation. No evidence for excesses above the predicted background is observed. Model-independent 95% confidence level upper limits on the cross section of beyond the standard model signals in these final states are set and further interpreted in terms of limits on semiclassical black hole, string ball, and sphaleron production. In the context of models with large extra dimensions, semiclassical black holes with minimum masses as high as 10.1 TeV and string balls with masses as high as 9.5 TeV are excluded by this search. Results of the first dedicated search for electroweak sphalerons are presented. An upper limit of 0.021 is set on the fraction of all quark-quark interactions above the nominal threshold energy of 9 TeV resulting in the sphaleron transition.« less

Relational quadrilateralland II: The Quantum Theory

NASA Astrophysics Data System (ADS)

Anderson, Edward; Kneller, Sophie

2014-04-01

We provide the quantum treatment of the relational quadrilateral. The underlying reduced configuration spaces are ℂℙ2 and the cone over this. We consider exact free and isotropic HO potential cases and perturbations about these. Moreover, our purely relational kinematical quantization is distinct from the usual one for ℂℙ2, which turns out to carry absolutist connotations instead. Thus, this paper is the first to note absolute-versus-relational motion distinctions at the kinematical rather than dynamical level. It is also an example of value to the discussion of kinematical quantization along the lines of Isham, 1984. The relational quadrilateral is the simplest RPM whose mathematics is not standard in atomic physics (the triangle and four particles on a line are both based on 𝕊2 and ℝ3 mathematics). It is far more typical of the general quantum relational N-a-gon than the previously studied case of the relational triangle. We consider useful integrals as regards perturbation theory and the peaking interpretation of quantum cosmology. We subsequently consider problem of time (PoT) applications of this: quantum Kuchař beables, the Machian version of the semiclassical approach and the timeless naïve Schrödinger interpretation. These go toward extending the combined Machian semiclassical-Histories-Timeless Approach of [Int. J. Mod. Phys. D23 (2014) 1450014] to the case of the quadrilateral, which will be treated in subsequent papers.

Simple model dielectric functions for insulators

NASA Astrophysics Data System (ADS)

Vos, Maarten; Grande, Pedro L.

2017-05-01

The Drude dielectric function is a simple way of describing the dielectric function of free electron materials, which have an uniform electron density, in a classical way. The Mermin dielectric function describes a free electron gas, but is based on quantum physics. More complex metals have varying electron densities and are often described by a sum of Drude dielectric functions, the weight of each function being taken proportional to the volume with the corresponding density. Here we describe a slight variation on the Drude dielectric functions that describes insulators in a semi-classical way and a form of the Levine-Louie dielectric function including a relaxation time that does the same within the framework of quantum physics. In the optical limit the semi-classical description of an insulator and the quantum physics description coincide, in the same way as the Drude and Mermin dielectric function coincide in the optical limit for metals. There is a simple relation between the coefficients used in the classical and quantum approaches, a relation that ensures that the obtained dielectric function corresponds to the right static refractive index. For water we give a comparison of the model dielectric function at non-zero momentum with inelastic X-ray measurements, both at relative small momenta and in the Compton limit. The Levine-Louie dielectric function including a relaxation time describes the spectra at small momentum quite well, but in the Compton limit there are significant deviations.

Speed dependence of CH335Cl-O2 line-broadening parameters probed on rotational transitions: Measurements and semi-classical calculations

NASA Astrophysics Data System (ADS)

Buldyreva, J.; Margulès, L.; Motiyenko, R. A.; Rohart, F.

2013-11-01

Relaxation parameters for K-components (K≤6) of six J→J+1 rotational transitions (J=6, 10, 17, 22, 31 and 33) of CH335Cl perturbed by O2 are measured at room temperature with Voigt, speed-dependent Voigt and Galatry profiles in order to probe the speed-dependence effects. With respect to the previous study of CH335Cl-N2 system [Guinet et al., J Quant Spectrosc Radiat Transfer 2012;113:1113], higher active-gas pressures are reached, providing better signal-to-noise ratios, and the exact expression of the Beer-Lambert law is introduced in the fitting procedure, leading, among other advantages, to much more realistic low-pressure results. The broadening parameters of the considered lines are also computed by a semi-classical method for various relative velocities of colliders and the powers characterizing the dependence of the collisional cross-sections on relative speeds are deduced as functions of the rotational numbers J and K. Additional calculations performed with the Maxwell-Boltzmann distribution of velocities show no significant difference with the earlier results [Buldyreva et al., Phys Chem Chem Phys 2011;13:20326] obtained within the mean thermal velocity approximation. Weighted sums of the presently measured Voigt-profile O2-broadening parameters and of the previously published N2-broadening ones are calculated to yield experimental air-broadening coefficients for spectroscopic databases.

Charge Transfer Rate in Collisions of H + Ions with Si Atoms

NASA Astrophysics Data System (ADS)

Kimura, M.; Sannigrahi, A. B.; Gu, J. P.; Hirsch, G.; Buenker, R. J.; Shimamura, I.

1996-12-01

Charge transfer in Si(3P, 1D) + H+ collisions is studied theoretically by using a semiclassical molecular representation with six molecular channels for the triplet manifold and four channels for the singlet manifold at collision energies above 30 eV, and by using a fully quantum mechanical approach with two molecular channels for both triplet and singlet manifolds below 30 eV. The ab initio potential curves and nonadiabatic coupling matrix elements for the HSi+ system are obtained from multireference single- and double-excitation configuration interaction (MRD-CI) calculations employing a relatively large basis set. The present rate coefficients for charge transfer to Si+(4P) formation resulting from H+ + Si(3P) collisions are found to be large with values from 1 x 10-10 cm-3 s-1 at 1000 K to 1 x 10-8 cm-3 s-1 at 100,000 K. The rate coefficient for Si+(2P) formation, resulting from H+ + Si(3P) collisions, is found to be much smaller because of a larger energy defect from the initial state. These calculated rates are much larger than those reported by Baliunas & Butler, who estimated a value of 10-11 cm-3 s-1 in their coronal plasma study. The present result may be relevant to the description of the silicon ionization equilibrium.

Abstractive dissociation of oxygen over Al(111): a nonadiabatic quantum model.

PubMed

Katz, Gil; Kosloff, Ronnie; Zeiri, Yehuda

2004-02-22

The dissociation of oxygen on a clean aluminum surface is studied theoretically. A nonadiabatic quantum dynamical model is used, based on four electronically distinct potential energy surfaces characterized by the extent of charge transfer from the metal to the adsorbate. A flat surface approximation is used to reduce the computation complexity. The conservation of the helicopter angular momentum allows Boltzmann averaging of the outcome of the propagation of a three degrees of freedom wave function. The dissociation event is simulated by solving the time-dependent Schrödinger equation for a period of 30 femtoseconds. As a function of incident kinetic energy, the dissociation yield follows the experimental trend. An attempt at simulation employing only the lowest adiabatic surface failed, qualitatively disagreeing with both experiment and nonadiabatic calculations. The final products, adsorptive dissociation and abstractive dissociation, are obtained by carrying out a semiclassical molecular dynamics simulation with surface hopping which describes the back charge transfer from an oxygen atom negative ion to the surface. The final adsorbed oxygen pair distribution compares well with experiment. By running the dynamical events backward in time, a correlation is established between the products and the initial conditions which lead to their production. Qualitative agreement is thus obtained with recent experiments that show suppression of abstraction by rotational excitation. (c) 2004 American Institute of Physics.

Asymptotic symmetries in de Sitter and inflationary spacetimes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferreira, Ricardo Z.; Sandora, McCullen; Sloth, Martin S., E-mail: ferreira@cp3.sdu.dk, E-mail: sandora@cp3.sdu.dk, E-mail: sloth@cp3.sdu.dk

Soft gravitons produced by the expansion of de Sitter can be viewed as the Nambu-Goldstone bosons of spontaneously broken asymptotic symmetries of the de Sitter spacetime. We explicitly construct the associated charges, and show that acting with the charges on the vacuum creates a new state equivalent to a change in the local coordinates induced by the soft graviton. While the effect remains unobservable within the domain of a single observer where the symmetry is unbroken, this change is physical when comparing different asymptotic observers, or between a transformed and un-transformed initial state, consistent with the scale-dependent statistical anisotropies previouslymore » derived using semiclassical relations. We then compute the overlap, (0| 0'), between the unperturbed de Sitter vacuum |0), and the state | 0') obtained by acting N times with the charge. We show that when N→ M {sub p} {sup 2}/ H {sup 2} this overlap receives order one corrections and 0(0| 0')→ , which corresponds to an infrared perturbative breakdown after a time t {sub dS} ∼ M {sub p} {sup 2}/ H {sup 3} has elapsed, consistent with earlier arguments in the literature arguing for a perturbative breakdown on this timescale. We also discuss the generalization to inflation, and rederive the 3-point and one-loop consistency relations.« less

Engineering elliptical spin-excitations by complex anisotropy fields in Fe adatoms and dimers on Cu(111)

NASA Astrophysics Data System (ADS)

Guimarães, Filipe S. M.; dos Santos Dias, Manuel; Schweflinghaus, Benedikt; Lounis, Samir

2017-10-01

We investigate the dynamics of Fe adatoms and dimers deposited on the Cu(111) metallic surface in the presence of spin-orbit coupling, within time-dependent density functional theory. The ab initio results provide material-dependent parameters that can be used in semiclassical approaches, which are used for insightful interpretations of the excitation modes. By manipulating the surroundings of the magnetic elements, we show that elliptical precessional motion may be induced through the modification of the magnetic anisotropy energy. We also demonstrate how different kinds of spin precession are realized, considering the symmetry of the magnetic anisotropy energy, the ferro- or antiferromagnetic nature of the exchange coupling between the impurities, and the strength of the magnetic damping. In particular, the normal modes of a dimer depend on the initial magnetic configuration, changing drastically by going from a ferromagnetic metastable state to the antiferromagnetic ground state. By taking into account the effect of the damping into their resonant frequencies, we reveal that an important contribution arises for strongly biaxial systems and specially for the antiferromagnetic dimers with large exchange couplings. Counterintuitively, our results indicate that the magnetic damping influences the quantum fluctuations by decreasing the zero-point energy of the system.

Exploring the spectrum of planar AdS4 /CFT3 at finite coupling

NASA Astrophysics Data System (ADS)

Bombardelli, Diego; Cavaglià, Andrea; Conti, Riccardo; Tateo, Roberto

2018-04-01

The Quantum Spectral Curve (QSC) equations for planar N=6 super-conformal Chern-Simons (SCS) are solved numerically at finite values of the coupling constant for states in the sl(2\\Big|1) sector. New weak coupling results for conformal dimensions of operators outside the sl(2) -like sector are obtained by adapting a recently proposed algorithm for the QSC perturbative solution. Besides being interesting in their own right, these perturbative results are necessary initial inputs for the numerical algorithm to converge on the correct solution. The non-perturbative numerical outcomes nicely interpolate between the weak coupling and the known semiclassical expansions, and novel strong coupling exact results are deduced from the numerics. Finally, the existence of contour crossing singularities in the TBA equations for the operator 20 is ruled out by our analysis. The results of this paper are an important test of the QSC formalism for this model, open the way to new quantitative studies and provide further evidence in favour of the conjectured weak/strong coupling duality between N=6 SCS and type IIA superstring theory on AdS4 × CP 3. Attached to the arXiv submission, a Mathematica implementation of the numerical method and ancillary files containing the numerical results are provided.

Phase-space perspective on the wavelength-dependent electron correlation of strong-field double ionization of Xe

NASA Astrophysics Data System (ADS)

Shao, Yun; Yuan, Zongqiang; Ye, Difa; Fu, Libin; Liu, Ming-Ming; Sun, Xufei; Wu, Chengyin; Liu, Jie; Gong, Qihuang; Liu, Yunquan

2017-12-01

We measure the wavelength-dependent correlated-electron momentum (CEM) spectra of strong-field double ionization of Xe atoms, and observe a significant change from a roughly nonstructured (uncorrelated) pattern at 795 nm to an elongated distribution with V-shaped structure (correlated) at higher wavelengths of 1320 and 1810 nm, pointing to the transition of the ionization dynamics imprinted in the momentum distributions. These observations are well reproduced by a semiclassical model using Green-Sellin-Zachor potential to take into account the screening effect. We show that the momentum distribution of Xe2+ undergoes a bifurcation structure emerging from single-hump to double-hump structure as the laser wavelength increases, which is dramatically different from that of He2+, indicating the complex multi-electron effect. By back analyzing the double ionization trajectories in the phase space (the initial transverse momentum and the laser phase at the tunneling exit) of the first tunneled electrons, we provide deep insight into the physical origin for electron correlation dynamics. We find that a random distribution in phase-space is responsible for a less distinct structured CEM spectrum at shorter wavelength. While increasing the laser wavelength, a topology-invariant pattern in phase-space appears, leading to the clearly visible V-shaped structures.

QED (quantum-electrodynamical) theory of excess spontaneous emission noise

DOE Office of Scientific and Technical Information (OSTI.GOV)

Milonni, P.W.

1990-01-01

The results of a quantum-electrodynamical theory of excess spontaneous emission noise in lossy resonators will be presented. The Petermann K factor'' does not enter into the spontaneous emission rate of a single atom in the cavity. The QED theory allows different interpretations of the K factor, and we use this fact to justify semiclassical analyses and to provide in one example a simple derivation of K in terms of the amplification of the quantum vacuum field entering the resonator through its mirrors. 17 refs.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berenstein, David; Kavli Institute for Theoretical Physics, University of California at Santa Barbara, California 93106; Correa, Diego H.

We study an XXX open spin chain with variable number of sites, where the variability is introduced only at the boundaries. This model arises naturally in the study of giant gravitons in the anti-de Sitter-space/conformal field-theory correspondence. We show how to quantize the spin chain by mapping its states to a bosonic lattice of finite length with sources and sinks of particles at the boundaries. Using coherent states, we show how the Hamiltonian for the bosonic lattice gives the correct description of semiclassical open strings ending on giant gravitons.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cirilo Antonio, N.; Manojlovic, N.; Departamento de Matematica, FCT, Universidade do Algarve, Campus de Gambelas, 8005-139 Faro

sl{sub 2} Gaudin model with jordanian twist is studied. This system can be obtained as the semiclassical limit of the XXX spin chain deformed by the jordanian twist. The appropriate creation operators that yield the Bethe states of the Gaudin model and consequently its spectrum are defined. Their commutation relations with the generators of the corresponding loop algebra as well as with the generating function of integrals of motion are given. The inner products and norms of Bethe states and the relation to the solutions of the Knizhnik-Zamolodchikov equations are discussed.

Role of the supersymmetric semiclassical approach in barrier penetration and heavy-ion fusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sil, T.; Dutt, R.; Varshni, Y.P.

1994-11-01

The problem of heavy-ion fusion reactions in the one-dimensional barrier penetration model (BPM) has been reexamined in light of supersymmetry-inspired WKB (SWKB) method. Motivated by our recent work [Phys. Lett. A 184, 209 (1994)] describing the SWKB method for the computation of the transmission coefficient [ital T]([ital E]), we have performed similar calculations for a potential barrier that mimics the proximity potential obtained by fitting experimentally measured fusion cross section [sigma][sub [ital F

Direct Simulation Monte Carlo Application of the Three Dimensional Forced Harmonic Oscillator Model

DTIC Science & Technology

2017-12-07

quasi -classical scattering theory [3,4] or trajectory [5] calculations, semiclassical, as well as close-coupled [6,7] or full [8] quantum mechanical...the quasi -classical trajectory (QCT) calculations approach for ab initio modeling of collision processes. The DMS method builds on an earlier work...nu ar y 30 , 2 01 8 | h ttp :// ar c. ai aa .o rg | D O I: 1 0. 25 14 /1 .T 52 28 to directly use quasi -classical or quantum mechanic

Numerical studies on the electromagnetic properties of the nonlinear Lorentz Computational model for the dielectric media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abe, H.; Okuda, H.

We study linear and nonlinear properties of a new computer simulation model developed to study the propagation of electromagnetic waves in a dielectric medium in the linear and nonlinear regimes. The model is constructed by combining a microscopic model used in the semi-classical approximation for the dielectric media and the particle model developed for the plasma simulations. It is shown that the model may be useful for studying linear and nonlinear wave propagation in the dielectric media.

Semiclassical approximation of the Wheeler-DeWitt equation: arbitrary orders and the question of unitarity

NASA Astrophysics Data System (ADS)

Kiefer, Claus; Wichmann, David

2018-06-01

We extend the Born-Oppenheimer type of approximation scheme for the Wheeler-DeWitt equation of canonical quantum gravity to arbitrary orders in the inverse Planck mass squared. We discuss in detail the origin of unitarity violation in this scheme and show that unitarity can be restored by an appropriate modification which requires back reaction from matter onto the gravitational sector. In our analysis, we heavily rely on the gauge aspects of the standard Born-Oppenheimer scheme in molecular physics.

Semiclassical Dynamicswith Exponentially Small Error Estimates

NASA Astrophysics Data System (ADS)

Hagedorn, George A.; Joye, Alain

We construct approximate solutions to the time-dependent Schrödingerequation for small values of ħ. If V satisfies appropriate analyticity and growth hypotheses and , these solutions agree with exact solutions up to errors whose norms are bounded by for some C and γ>0. Under more restrictive hypotheses, we prove that for sufficiently small T', implies the norms of the errors are bounded by for some C', γ'>0, and σ > 0.

Theory of ionizing neutrino-atom collisions: The role of atomic recoil

NASA Astrophysics Data System (ADS)

Kouzakov, Konstantin A.; Studenikin, Alexander I.

2016-04-01

We consider theoretically ionization of an atom by neutrino impact taking into account electromagnetic interactions predicted for massive neutrinos by theories beyond the Standard Model. The effects of atomic recoil in this process are estimated using the one-electron and semiclassical approximations and are found to be unimportant unless the energy transfer is very close to the ionization threshold. We show that the energy scale where these effects become important is insignificant for current experiments searching for magnetic moments of reactor antineutrinos.

An Estimation of the Logarithmic Timescale in Ergodic Dynamics

NASA Astrophysics Data System (ADS)

Gomez, Ignacio S.

An estimation of the logarithmic timescale in quantum systems having an ergodic dynamics in the semiclassical limit, is presented. The estimation is based on an extension of the Krieger’s finite generator theorem for discretized σ-algebras and using the time rescaling property of the Kolmogorov-Sinai entropy. The results are in agreement with those obtained in the literature but with a simpler mathematics and within the context of the ergodic theory. Moreover, some consequences of the Poincaré’s recurrence theorem are also explored.

Atomic Structure

NASA Astrophysics Data System (ADS)

Whelan, Colm T.

2018-04-01

A knowledge of atomic theory should be an essential part of every physicist's and chemist's toolkit. This book provides an introduction to the basic ideas that govern our understanding of microscopic matter, and the essential features of atomic structure and spectra are presented in a direct and easily accessible manner. Semi-classical ideas are reviewed and an introduction to the quantum mechanics of one and two electron systems and their interaction with external electromagnetic fields is featured. Multielectron atoms are also introduced, and the key methods for calculating their properties reviewed.

Femtojoule-scale all-optical latching and modulation via cavity nonlinear optics.

PubMed

Kwon, Yeong-Dae; Armen, Michael A; Mabuchi, Hideo

2013-11-15

We experimentally characterize Hopf bifurcation phenomena at femtojoule energy scales in a multiatom cavity quantum electrodynamical (cavity QED) system and demonstrate how such behaviors can be exploited in the design of all-optical memory and modulation devices. The data are analyzed by using a semiclassical model that explicitly treats heterogeneous coupling of atoms to the cavity mode. Our results highlight the interest of cavity QED systems for ultralow power photonic signal processing as well as for fundamental studies of mesoscopic nonlinear dynamics.

Nanoscale rotary motors driven by electron tunneling.

PubMed

Wang, Boyang; Vuković, Lela; Král, Petr

2008-10-31

We examine by semiclassical molecular dynamics simulations the possibility of driving nanoscale rotary motors by electron tunneling. The model systems studied have a carbon nanotube shaft with covalently attached "isolating" molecular stalks ending with "conducting" blades. Periodic charging and discharging of the blades at two metallic electrodes maintains an electric dipole on the blades that is rotated by an external electric field. Our simulations demonstrate that these molecular motors can be efficient under load and in the presence of noise and defects.

Ponderomotive effects in multiphoton pair production

NASA Astrophysics Data System (ADS)

Kohlfürst, Christian; Alkofer, Reinhard

2018-02-01

The Dirac-Heisenberg-Wigner formalism is employed to investigate electron-positron pair production in cylindrically symmetric but otherwise spatially inhomogeneous, oscillating electric fields. The oscillation frequencies are hereby tuned to obtain multiphoton pair production in the nonperturbative threshold regime. An effective mass, as well as a trajectory-based semiclassical analysis, is introduced in order to interpret the numerical results for the distribution functions as well as for the particle yields and spectra. The results, including the asymptotic particle spectra, display clear signatures of ponderomotive forces.

Tunneling Radiation Characteristic of the Charged Particle from the Reissner Nordström anti de Sitter Black Hole

NASA Astrophysics Data System (ADS)

Chen, De-You; Jiang, Qing-Quan; Yang, Shu-Zheng

2007-12-01

Applying Parikh’s semi-classical quantum tunneling method, the tunneling radiation characteristic of the charged particle from the event horizon of the Reissner Nordström anti de Sitter black hole is researched. The result shows the derived spectrum is not purely thermal one, but is consistent with the underlying unitary theory, which gives a might explanation to the information loss paradox and is the correct amendment to the Hawking radiation.

Can Topology and Geometry be Measured by an Operator Measurement in Quantum Gravity?

PubMed

Berenstein, David; Miller, Alexandra

2017-06-30

In the context of Lin-Lunin-Maldacena geometries, we show that superpositions of classical coherent states of trivial topology can give rise to new classical limits where the topology of spacetime has changed. We argue that this phenomenon implies that neither the topology nor the geometry of spacetime can be the result of an operator measurement. We address how to reconcile these statements with the usual semiclassical analysis of low energy effective field theory for gravity.

Theory of some laser noise effects.

NASA Technical Reports Server (NTRS)

Wang, Y. K.; Lamb, W. E., Jr.

1973-01-01

A simple version of the semiclassical theory is applied to the shot effect. Considerations of thermal noise reported by Lamb (1965) are extended to take into account amplitude fluctuations. The laser is considered to be a lossy cavity of the Fabry-Perot type in single-mode operation with a circular frequency driven by an inverted population of active atoms. The electric field is taken to be transverse to the cavity axis. The amplitude and phase are assumed to be slowly varying functions which satisfy two self-consistency equations.

The origin of rotation, dense matter physics and all that: a tribute to Pavle Savić.

NASA Astrophysics Data System (ADS)

Čelebonović, V.

1995-04-01

This is a review of the main physical ideas and examples of applicability in astrophysics and pure physics of a semiclassical theory of dense matter proposed by Pavle Savićand Radivoje Kašanin in the early sixties. A hypothesis, advanced by Savić with the aim of solving the problem of the origin of rotation of celestial bodies, will also be discussed. The paper is dedicated to the memory of Pavle Savić.

Density matrix Monte Carlo modeling of quantum cascade lasers

NASA Astrophysics Data System (ADS)

Jirauschek, Christian

2017-10-01

By including elements of the density matrix formalism, the semiclassical ensemble Monte Carlo method for carrier transport is extended to incorporate incoherent tunneling, known to play an important role in quantum cascade lasers (QCLs). In particular, this effect dominates electron transport across thick injection barriers, which are frequently used in terahertz QCL designs. A self-consistent model for quantum mechanical dephasing is implemented, eliminating the need for empirical simulation parameters. Our modeling approach is validated against available experimental data for different types of terahertz QCL designs.

Timing Recollision in Nonsequential Double Ionization by Intense Elliptically Polarized Laser Pulses.

PubMed

Kang, H; Henrichs, K; Kunitski, M; Wang, Y; Hao, X; Fehre, K; Czasch, A; Eckart, S; Schmidt, L Ph H; Schöffler, M; Jahnke, T; Liu, X; Dörner, R

2018-06-01

We examine correlated electron and doubly charged ion momentum spectra from strong field double ionization of neon employing intense elliptically polarized laser pulses. An ellipticity-dependent asymmetry of correlated electron and ion momentum distributions has been observed. Using a 3D semiclassical model, we demonstrate that our observations reflect the subcycle dynamics of the recollision process. Our Letter reveals a general physical picture for recollision impact double ionization with elliptical polarization and demonstrates the possibility of ultrafast control of the recollision dynamics.

Timing Recollision in Nonsequential Double Ionization by Intense Elliptically Polarized Laser Pulses

NASA Astrophysics Data System (ADS)

Kang, H.; Henrichs, K.; Kunitski, M.; Wang, Y.; Hao, X.; Fehre, K.; Czasch, A.; Eckart, S.; Schmidt, L. Ph. H.; Schöffler, M.; Jahnke, T.; Liu, X.; Dörner, R.

2018-06-01

We examine correlated electron and doubly charged ion momentum spectra from strong field double ionization of neon employing intense elliptically polarized laser pulses. An ellipticity-dependent asymmetry of correlated electron and ion momentum distributions has been observed. Using a 3D semiclassical model, we demonstrate that our observations reflect the subcycle dynamics of the recollision process. Our Letter reveals a general physical picture for recollision impact double ionization with elliptical polarization and demonstrates the possibility of ultrafast control of the recollision dynamics.

Geometrical optimization of a local ballistic magnetic sensor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kanda, Yuhsuke; Hara, Masahiro; Nomura, Tatsuya

2014-04-07

We have developed a highly sensitive local magnetic sensor by using a ballistic transport property in a two-dimensional conductor. A semiclassical simulation reveals that the sensitivity increases when the geometry of the sensor and the spatial distribution of the local field are optimized. We have also experimentally demonstrated a clear observation of a magnetization process in a permalloy dot whose size is much smaller than the size of an optimized ballistic magnetic sensor fabricated from a GaAs/AlGaAs two-dimensional electron gas.

Bloch equation and atom-field entanglement scenario in three-level systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sen, Surajit; Nath, Mihir Ranjan; Dey, Tushar Kanti

2011-09-23

We study the exact solution of the lambda, vee and cascade type of three-level system with distinct Hamiltonian for each configuration expressed in the SU(3) basis. The semiclassical models are solved by solving respective Bloch equation and the existence of distinct non-linear constants are discussed which are different for different configuration. Apart from proposing a qutrit wave function, the atom-field entanglement is studied for the quantized three-level systems using the Phoenix-Knight formalism and corresponding population inversion are compared.

Transverse-velocity scaling of femtoscopy in \\sqrt{s}=7\\,{TeV} proton–proton collisions

NASA Astrophysics Data System (ADS)

Humanic, T. J.

2018-05-01

Although transverse-mass scaling of femtoscopic radii is found to hold to a good approximation in heavy-ion collision experiments, it is seen to fail for high-energy proton–proton collisions. It is shown that if invariant radius parameters are plotted versus the transverse velocity instead, scaling with the transverse velocity is seen in \\sqrt{s}=7 TeV proton–proton experiments. A simple semi-classical model is shown to qualitatively reproduce this transverse velocity scaling.

Gravitational-Like Lens Based on Graphene Ripple.

PubMed

Liu, Daqing; Chen, Shuyue; Ma, Ning; Zhao, Xiang; Xu, Zhuo

2015-10-01

We conducted a semiclassical study on carrier movement in curved graphene. A previous attempt was made to show that curved graphene is a readily available and cheap laboratory material used to study general relativity effects, especially if the electron energies satisfy 4μeV ≪ |E| ≪ 3eV. Furthermore, a gravitational-like lens can be constructed based on a special graphene ripple; this lens has neither chromatic nor cometic aberration. One can design an ideal electron lens using a graphene ripple.

From Hartree Dynamics to the Relativistic Vlasov Equation

NASA Astrophysics Data System (ADS)

Dietler, Elia; Rademacher, Simone; Schlein, Benjamin

2018-02-01

We derive the relativistic Vlasov equation from quantum Hartree dynamics for fermions with relativistic dispersion in the mean-field scaling, which is naturally linked with an effective semiclassic limit. Similar results in the non-relativistic setting have been recently obtained in Benedikter et al. (Arch Rat Mech Anal 221(1): 273-334, 2016). The new challenge that we have to face here, in the relativistic setting, consists in controlling the difference between the quantum kinetic energy and the relativistic transport term appearing in the Vlasov equation.

A full quantum analysis of the Stern-Gerlach experiment using the evolution operator method: analyzing current issues in teaching quantum mechanics

NASA Astrophysics Data System (ADS)

Benítez Rodríguez, E.; Arévalo Aguilar, L. M.; Piceno Martínez, E.

2017-03-01

To the quantum mechanics specialists community it is a well-known fact that the famous original Stern-Gerlach experiment (SGE) produces entanglement between the external degrees of freedom (position) and the internal degree of freedom (spin) of silver atoms. Despite this fact, almost all textbooks on quantum mechanics explain this experiment using a semiclassical approach, where the external degrees of freedom are considered classical variables, the internal degree is treated as a quantum variable, and Newton's second law is used to describe the dynamics. In the literature there are some works that analyze this experiment in its full quantum mechanical form. However, astonishingly, to the best of our knowledge the original experiment, where the initial states of the spin degree of freedom are randomly oriented coming from the oven, has not been analyzed yet in the available textbooks using the Schrödinger equation (to the best of our knowledge there is only one paper that treats this case: Hsu et al (2011 Phys. Rev. A 83 012109)). Therefore, in this contribution we use the time-evolution operator to give a full quantum mechanics analysis of the SGE when the initial state of the internal degree of freedom is completely random, i.e. when it is a statistical mixture. Additionally, as the SGE and the development of quantum mechanics are heavily intermingled, we analyze some features and drawbacks in the current teaching of quantum mechanics. We focus on textbooks that use the SGE as a starting point, based on the fact that most physicist do not use results from physics education research, and comment on traditional pedagogical attitudes in the physics community.

Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension.

PubMed

Greene, Samuel M; Shan, Xiao; Clary, David C

2016-06-28

Semiclassical Transition State Theory (SCTST), a method for calculating rate constants of chemical reactions, offers gains in computational efficiency relative to more accurate quantum scattering methods. In full-dimensional (FD) SCTST, reaction probabilities are calculated from third and fourth potential derivatives along all vibrational degrees of freedom. However, the computational cost of FD SCTST scales unfavorably with system size, which prohibits its application to larger systems. In this study, the accuracy and efficiency of 1-D SCTST, in which only third and fourth derivatives along the reaction mode are used, are investigated in comparison to those of FD SCTST. Potential derivatives are obtained from numerical ab initio Hessian matrix calculations at the MP2/cc-pVTZ level of theory, and Richardson extrapolation is applied to improve the accuracy of these derivatives. Reaction barriers are calculated at the CCSD(T)/cc-pVTZ level. Results from FD SCTST agree with results from previous theoretical and experimental studies when Richardson extrapolation is applied. Results from our implementation of 1-D SCTST, which uses only 4 single-point MP2/cc-pVTZ energy calculations in addition to those for conventional TST, agree with FD results to within a factor of 5 at 250 K. This degree of agreement and the efficiency of the 1-D method suggest its potential as a means of approximating rate constants for systems too large for existing quantum scattering methods.

Phonon conduction in GaN-diamond composite substrates

NASA Astrophysics Data System (ADS)

Cho, Jungwan; Francis, Daniel; Altman, David H.; Asheghi, Mehdi; Goodson, Kenneth E.

2017-02-01

The integration of strongly contrasting materials can enable performance benefits for semiconductor devices. One example is composite substrates of gallium nitride (GaN) and diamond, which promise dramatically improved conduction cooling of high-power GaN transistors. Here, we examine phonon conduction in GaN-diamond composite substrates fabricated using a GaN epilayer transfer process through transmission electron microscopy, measurements using time-domain thermoreflectance, and semiclassical transport theory for phonons interacting with interfaces and defects. Thermoreflectance amplitude and ratio signals are analyzed at multiple modulation frequencies to simultaneously extract the thermal conductivity of GaN layers and the thermal boundary resistance across GaN-diamond interfaces at room temperature. Uncertainties in the measurement of these two properties are estimated considering those of parameters, including the thickness of a topmost metal transducer layer, given as an input to a multilayer thermal model, as well as those associated with simultaneously fitting the two properties. The volume resistance of an intermediate, disordered SiN layer between the GaN and diamond, as well as a presence of near-interfacial defects in the GaN and diamond, dominates the measured GaN-diamond thermal boundary resistances as low as 17 m2 K GW-1. The GaN thermal conductivity data are consistent with the semiclassical phonon thermal conductivity integral model that accounts for the size effect as well as phonon scattering on point defects at concentrations near 3 × 1018 cm-3.

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

NASA Astrophysics Data System (ADS)

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

2008-11-01

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

Problem of time in slightly inhomogeneous cosmology

NASA Astrophysics Data System (ADS)

Anderson, Edward

2016-07-01

The problem of time (PoT) is a multi-faceted conceptual incompatibility between various areas of Theoretical Physics. While usually stated as between GR and QM, in fact 8/9ths of it is already present at the classical level. Thus we adopt a ‘top-down’ classical and then quantum approach. I consider a local resolution to the PoT that is Machian, which was previously realized for relational triangle and minisuperspace models. This resolution has three levels: classical, semiclassical and combined semiclassical-histories-records. This article’s specific model is a slightly inhomogeneous cosmology considered for now at the classical level. This is motivated by how the inhomogeneous fluctuations that underlie structure formation—galaxies and CMB hotspots—might have been seeded by quantum cosmological fluctuations, as magnified by some inflationary mechanism. In particular, I consider the perturbations about {{{S}}}3 case of this involving up to second order, which has a number of parallels with the Halliwell-Hawking model but has a number of conceptual differences and useful upgrades. The article’s main features are that the elimination part of the model’s thin sandwich is straightforward, but the modewise split of the constraints fail to be first-class constraints. Thus the elimination part only arises as an intermediate geometry between superspace and Riem. The reduced geometries have surprising singularities influenced by the matter content of the Universe, though the N-body problem anticipates these with its collinear singularities. I also give a ‘basis set’ of Kuchař beables for this model arena.

Particle on a torus knot: Constrained dynamics and semi-classical quantization in a magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Das, Praloy, E-mail: praloydasdurgapur@gmail.com; Pramanik, Souvik, E-mail: souvick.in@gmail.com; Ghosh, Subir, E-mail: subirghosh20@gmail.com

2016-11-15

Kinematics and dynamics of a particle moving on a torus knot poses an interesting problem as a constrained system. In the first part of the paper we have derived the modified symplectic structure or Dirac brackets of the above model in Dirac’s Hamiltonian framework, both in toroidal and Cartesian coordinate systems. This algebra has been used to study the dynamics, in particular small fluctuations in motion around a specific torus. The spatial symmetries of the system have also been studied. In the second part of the paper we have considered the quantum theory of a charge moving in a torusmore » knot in the presence of a uniform magnetic field along the axis of the torus in a semiclassical quantization framework. We exploit the Einstein–Brillouin–Keller (EBK) scheme of quantization that is appropriate for multidimensional systems. Embedding of the knot on a specific torus is inherently two dimensional that gives rise to two quantization conditions. This shows that although the system, after imposing the knot condition reduces to a one dimensional system, even then it has manifested non-planar features which shows up again in the study of fractional angular momentum. Finally we compare the results obtained from EBK (multi-dimensional) and Bohr–Sommerfeld (single dimensional) schemes. The energy levels and fractional spin depend on the torus knot parameters that specifies its non-planar features. Interestingly, we show that there can be non-planar corrections to the planar anyon-like fractional spin.« less

A direct potential fitting RKR method: Semiclassical vs. quantal comparisons

NASA Astrophysics Data System (ADS)

Tellinghuisen, Joel

2016-12-01

Quantal and semiclassical (SC) eigenvalues are compared for three diatomic molecular potential curves: the X state of CO, the X state of Rb2, and the A state of I2. The comparisons show higher levels of agreement than generally recognized, when the SC calculations incorporate a quantum defect correction to the vibrational quantum number, in keeping with the Kaiser modification. One particular aspect of this is better agreement between quantal and SC estimates of the zero-point vibrational energy, supporting the need for the Y00 correction in this context. The pursuit of a direct-potential-fitting (DPF) RKR method is motivated by the notion that some of the limitations of RKR potentials may be innate, from their generation by an exact inversion of approximate quantities: the vibrational energy Gυ and rotational constant Bυ from least-squares analysis of spectroscopic data. In contrast, the DPF RKR method resembles the quantal DPF methods now increasingly used to analyze diatomic spectral data, but with the eigenvalues obtained from SC phase integrals. Application of this method to the analysis of 9500 assigned lines in the I2A ← X spectrum fails to alter the quantal-SC disparities found for the A-state RKR curve from a previous analysis. On the other hand, the SC method can be much faster than the quantal method in exploratory work with different potential functions, where it is convenient to use finite-difference methods to evaluate the partial derivatives required in nonlinear fitting.

Path Integrals for Electronic Densities, Reactivity Indices, and Localization Functions in Quantum Systems

PubMed Central

Putz, Mihai V.

2009-01-01

The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr’s quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions – all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems. PMID:20087467

Quantum calculations of the carrier mobility: Methodology, Matthiessen's rule, and comparison with semi-classical approaches

DOE Office of Scientific and Technical Information (OSTI.GOV)

Niquet, Yann-Michel, E-mail: yniquet@cea.fr; Nguyen, Viet-Hung; Duchemin, Ivan

2014-02-07

We discuss carrier mobilities in the quantum Non-Equilibrium Green's Functions (NEGF) framework. We introduce a method for the extraction of the mobility that is free from contact resistance contamination and with minimal needs for ensemble averages. We focus on silicon thin films as an illustration, although the method can be applied to various materials such as semiconductor nanowires or carbon nanostructures. We then introduce a new paradigm for the definition of the partial mobility μ{sub M} associated with a given elastic scattering mechanism “M,” taking phonons (PH) as a reference (μ{sub M}{sup −1}=μ{sub PH+M}{sup −1}−μ{sub PH}{sup −1}). We argue thatmore » this definition makes better sense in a quantum transport framework as it is free from long range interference effects that can appear in purely ballistic calculations. As a matter of fact, these mobilities satisfy Matthiessen's rule for three mechanisms [e.g., surface roughness (SR), remote Coulomb scattering (RCS) and phonons] much better than the usual, single mechanism calculations. We also discuss the problems raised by the long range spatial correlations in the RCS disorder. Finally, we compare semi-classical Kubo-Greenwood (KG) and quantum NEGF calculations. We show that KG and NEGF are in reasonable agreement for phonon and RCS, yet not for SR. We discuss the reasons for these discrepancies.« less

Path integrals for electronic densities, reactivity indices, and localization functions in quantum systems.

PubMed

Putz, Mihai V

2009-11-10

The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr's quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions - all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems.

An Innovative Sensing Approach Using Carbon Nanotube-Based Composites for Structural Health Monitoring of Concrete Structures

NASA Astrophysics Data System (ADS)

Dwivedi, Vatsal

This thesis presents some work on two quite disparate kinds of dynamical systems described by Hamiltonian dynamics. The first part describes a computation of gauge anomalies and their macroscopic effects in a semiclassical picture. The geometric (symplectic) formulation of classical mechanics is used to describe the dynamics of Weyl fermions in even spacetime dimensions, the only quantum input to the symplectic form being the Berry curvature that encodes the spin-momentum locking. The (semi-)classical equations of motion are used in a kinetic theory setup to compute the gauge and singlet currents, whose conservation laws reproduce the nonabelian gauge and singlet anomalies. Anomalous contributions to the hydrodynamic currents for a gas of Weyl fermions at a finite temperature and chemical potential are also calculated, and are in agreement with similar results in literature which were obtained using thermodynamic and/or quantum field theoretical arguments. The second part describes a generalized transfer matrix formalism for noninteracting tight-binding models. The formalism is used to study the bulk and edge spectra, both of which are encoded in the spectrum of the transfer matrices, for some of the common tight-binding models for noninteracting electronic topological phases of matter. The topological invariants associated with the boundary states are interpreted as winding numbers for windings around noncontractible loops on a Riemann sheet constructed using the algebraic structure of the transfer matrices, as well as with a Maslov index on a symplectic group manifold, which is the space of transfer matrices.

Orthogonal polynomials, Laguerre Fock space, and quasi-classical asymptotics

NASA Astrophysics Data System (ADS)

Engliš, Miroslav; Ali, S. Twareque

2015-07-01

Continuing our earlier investigation of the Hermite case [S. T. Ali and M. Engliš, J. Math. Phys. 55, 042102 (2014)], we study an unorthodox variant of the Berezin-Toeplitz quantization scheme associated with Laguerre polynomials. In particular, we describe a "Laguerre analogue" of the classical Fock (Segal-Bargmann) space and the relevant semi-classical asymptotics of its Toeplitz operators; the former actually turns out to coincide with the Hilbert space appearing in the construction of the well-known Barut-Girardello coherent states. Further extension to the case of Legendre polynomials is likewise discussed.

Low-energy elastic differential scattering of He/++/ by He.

NASA Technical Reports Server (NTRS)

Lam, S. K.; Doverspike, L. D.; Champion, R. L.

1973-01-01

Experimental results are developed for the relative elastic differential scattering of He(++) by He for collision energies in the range 4 equal to or less than E equal to or less than 75 eV. In the analysis of the data, semiclassical considerations are utilized, assuming that the dynamics of the scattering is governed solely by the B and E states of He2(++). It is shown that existing ab initio calculations for the intermolecular potentials predict differential cross sections which are not in particularly good agreement with the experimental data.

Discrete dynamical laser equation for the critical onset of bistability, entanglement and disappearance

NASA Astrophysics Data System (ADS)

Abdul, M.; Farooq, U.; Akbar, Jehan; Saif, F.

2018-06-01

We transform the semi-classical laser equation for single mode homogeneously broadened lasers to a one-dimensional nonlinear map by using the discrete dynamical approach. The obtained mapping, referred to as laser logistic mapping (LLM), characteristically exhibits convergent, cyclic and chaotic behavior depending on the control parameter. Thus, the so obtained LLM explains stable, bistable, multi-stable, and chaotic solutions for output field intensity. The onset of bistability takes place at a critical value of the effective gain coefficient. The obtained analytical results are confirmed through numerical calculations.

Long Time Quantum Evolution of Observables on Cusp Manifolds

NASA Astrophysics Data System (ADS)

Bonthonneau, Yannick

2016-04-01

The Eisenstein functions {E(s)} are some generalized eigenfunctions of the Laplacian on manifolds with cusps. We give a version of Quantum Unique Ergodicity for them, for {|{I}s| to ∞} and {R}s to d/2} with {{R}s - d/2 ≥ log log |{I}s| / log |{I}s|}. For the purpose of the proof, we build a semi-classical quantization procedure for finite volume manifolds with hyperbolic cusps, adapted to a geometrical class of symbols. We also prove an Egorov Lemma until Ehrenfest times on such manifolds.

Stability of Internal Space in Kaluza-Klein Theory

NASA Astrophysics Data System (ADS)

Maeda, K.; Soda, J.

1998-12-01

We extend a model studied by Li and Gott III to investigate a stability of internal space in Kaluza-Klein theory. Our model is a four-dimensional de-Sitter space plus a n-dimensional compactified internal space. We introduce a solution of the semi-classical Einstein equation which shows us the fact that a n-dimensional compactified internal space can be stable by the Casimir effect. The self-consistency of this solution is checked. One may apply this solution to study the issue of the Black Hole singularity.