International Nuclear Information System (INIS)
Balazs, N.L.
1979-01-01
It is pointed out that in semiclassical dynamics one is encouraged to study the evolution of those curves in phase space which classically represent ensembles corresponding to wave functions. It is shown that the fixed points generate new time scales so that for times longer than the critical times, quantum dynamics will profoundly differ from classical dynamics. (P.L.)
International Nuclear Information System (INIS)
Jung, Y.
1997-01-01
In dense plasmas, dynamic plasma screening effects are investigated on 1s→2p dipole transition probabilities for electron-impact excitation of hydrogenic ions. The electron endash ion interaction potential is considered by introduction of the plasma dielectric function. A semiclassical straight-line trajectory method is applied to the path of the projectile electron in order to visualize the semiclassical transition probability as a function of the impact parameter, projectile energy, and plasma parameters. The transition probability including the dynamic plasma screening effect is always greater than that including the static plasma screening effect. When the projectile velocity is smaller than the electron thermal velocity, the dynamic polarization screening effect becomes the static plasma screening effect. When the projectile velocity is greater than the electron thermal velocity, then the interaction potential is almost unshielded. The difference between the dynamic and static plasma screening effects is more significant for low-energy projectiles. It is also found that the static plasma screening formula obtained by the Debye endash Hueckel model overestimates the plasma screening effects on the atomic excitation processes in dense plasmas. copyright 1997 American Institute of Physics
The semiclassical way to dynamics and spectroscopy
Heller, Eric
2018-01-01
Physical systems have been traditionally described in terms of either classical or quantum mechanics. But in recent years, semiclassical methods have developed rapidly, providing deep physical insight and computational tools for quantum dynamics and spectroscopy. In this book, Eric Heller introduces and develops this subject, demonstrating its power with many examples. In the first half of the book, Heller covers relevant aspects of classical mechanics, building from them the semiclassical way through the semiclassical limit of the Feynman path integral. The second half of the book applies this approach to various kinds of spectroscopy, such as molecular spectroscopy and electron imaging and quantum dynamical systems with an emphasis on tunneling. Adopting a distinctly time-dependent viewpoint, Heller argues for semiclassical theories from experimental and theoretical vantage points valuable to research in physics and chemistry. Featuring more than two hundred figures, the book provides a geometric, phase-sp...
International Nuclear Information System (INIS)
Kondorskiy, A.; Nakamura, H.
2004-01-01
The title theory is developed by combining the Herman-Kluk semiclassical theory for adiabatic propagation on single potential-energy surface and the semiclassical Zhu-Nakamura theory for nonadiabatic transition. The formulation with use of natural mathematical principles leads to a quite simple expression for the propagator based on classical trajectories and simple formulas are derived for overall adiabatic and nonadiabatic processes. The theory is applied to electronically nonadiabatic photodissociation processes: a one-dimensional problem of H 2 + in a cw (continuous wave) laser field and a two-dimensional model problem of H 2 O in a cw laser field. The theory is found to work well for the propagation duration of several molecular vibrational periods and wide energy range. Although the formulation is made for the case of laser induced nonadiabatic processes, it is straightforwardly applicable to ordinary electronically nonadiabatic chemical dynamics
Semiclassical approaches to nuclear dynamics
Energy Technology Data Exchange (ETDEWEB)
Magner, A. G., E-mail: magner@kinr.kiev.ua; Gorpinchenko, D. V. [Institute for Nuclear Research NASU (Ukraine); Bartel, J. [Université de Strasbourg, Institut Pluridisciplinaire Hubert Curien, CNRS/IN2P3 (France)
2017-01-15
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 of 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.
Semiclassical approaches to nuclear dynamics
International Nuclear Information System (INIS)
Magner, A. G.; Gorpinchenko, D. V.; Bartel, J.
2017-01-01
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 of 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.
Dispersions in Semi-Classical Dynamics
International Nuclear Information System (INIS)
Zielinska-Pfabe, M.; Gregoire, C.
1987-01-01
Dispersions around mean values of one-body observables are obtained by restoring classical many-body correlations in Vlasov and Landau-Vlasov dynamics. The method is applied to the calculation of fluctuations in mass, charge and linear momentum in heavy-ion collisions. Results are compared to those obtained by the Balian-Veneroni variational principle in semi-classical approximation
Semiclassical methods in chemical reaction dynamics
International Nuclear Information System (INIS)
Keshavamurthy, S.
1994-12-01
Semiclassical approximations, simple as well as rigorous, are formulated in order to be able to describe gas phase chemical reactions in large systems. We formulate a simple but accurate semiclassical model for incorporating multidimensional tunneling in classical trajectory simulations. This model is based on the existence of locally conserved actions around the saddle point region on a multidimensional potential energy surface. Using classical perturbation theory and monitoring the imaginary action as a function of time along a classical trajectory we calculate state-specific unimolecular decay rates for a model two dimensional potential with coupling. Results are in good comparison with exact quantum results for the potential over a wide range of coupling constants. We propose a new semiclassical hybrid method to calculate state-to-state S-matrix elements for bimolecular reactive scattering. The accuracy of the Van Vleck-Gutzwiller propagator and the short time dynamics of the system make this method self-consistent and accurate. We also go beyond the stationary phase approximation by doing the resulting integrals exactly (numerically). As a result, classically forbidden probabilties are calculated with purely real time classical trajectories within this approach. Application to the one dimensional Eckart barrier demonstrates the accuracy of this approach. Successful application of the semiclassical hybrid approach to collinear reactive scattering is prevented by the phenomenon of chaotic scattering. The modified Filinov approach to evaluating the integrals is discussed, but application to collinear systems requires a more careful analysis. In three and higher dimensional scattering systems, chaotic scattering is suppressed and hence the accuracy and usefulness of the semiclassical method should be tested for such systems
Semiclassical methods in chemical reaction dynamics
Energy Technology Data Exchange (ETDEWEB)
Keshavamurthy, Srihari [Univ. of California, Berkeley, CA (United States)
1994-12-01
Semiclassical approximations, simple as well as rigorous, are formulated in order to be able to describe gas phase chemical reactions in large systems. We formulate a simple but accurate semiclassical model for incorporating multidimensional tunneling in classical trajectory simulations. This model is based on the existence of locally conserved actions around the saddle point region on a multidimensional potential energy surface. Using classical perturbation theory and monitoring the imaginary action as a function of time along a classical trajectory we calculate state-specific unimolecular decay rates for a model two dimensional potential with coupling. Results are in good comparison with exact quantum results for the potential over a wide range of coupling constants. We propose a new semiclassical hybrid method to calculate state-to-state S-matrix elements for bimolecular reactive scattering. The accuracy of the Van Vleck-Gutzwiller propagator and the short time dynamics of the system make this method self-consistent and accurate. We also go beyond the stationary phase approximation by doing the resulting integrals exactly (numerically). As a result, classically forbidden probabilties are calculated with purely real time classical trajectories within this approach. Application to the one dimensional Eckart barrier demonstrates the accuracy of this approach. Successful application of the semiclassical hybrid approach to collinear reactive scattering is prevented by the phenomenon of chaotic scattering. The modified Filinov approach to evaluating the integrals is discussed, but application to collinear systems requires a more careful analysis. In three and higher dimensional scattering systems, chaotic scattering is suppressed and hence the accuracy and usefulness of the semiclassical method should be tested for such systems.
Semiclassical theory of resonance inelastic electron-molecule collisions
International Nuclear Information System (INIS)
Kazanskij, A.K.
1986-01-01
Semiclassical approach to the theory of resonance electron-molecule collisions, unlocal with respect to interatomic distance was developed. Two problems were considered: modified adiabatic approach for sigle-pole approximation of R-matrix and Fano-Feshbach-Bardsley theory. It is shown that these problems are similar in semiclassical approximation. A simple equation system with coefficients expressed in quadratures was obtained. It enables to determine amplitudes of all processes (including dissociation adhesion, association ejection, free-free and free-bound transitions) in energetic representation with respect to nucleus vibrations in molecule with allowance for both descrete and continuous spectra of nucleus motion in molecule. Quantitative investigation of the system results to the notion of dynamic energy curve of intermediate state, generalizing the motion of such curve in boomerang theory
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Murillo, M.S.
1997-01-01
Jung's analysis of dynamics screening appears to be flawed by attempting to patch many-body effects into a single-body theory and a more rigorous foundation is necessary. Jung's result and dynamical screening have been previously analyzed many times
Semiclassical dynamics and magnetic Weyl calculus
International Nuclear Information System (INIS)
Lein, Maximilian Stefan
2011-01-01
Weyl quantization and related semiclassical techniques can be used to study conduction properties of crystalline solids subjected to slowly-varying, external electromagnetic fields. The case where the external magnetic field is constant, is not covered by existing theory as proofs involving usual Weyl calculus break down. This is the regime of the so-called quantum Hall effect where quantization of transverse conductance is observed. To rigorously derive semiclassical equations of motion, one needs to systematically develop a magnetic Weyl calculus which contains a semiclassical parameter. Mathematically, the operators involved in the analysis are magnetic pseudodifferential operators, a topic which by itself is of interest for the mathematics and mathematical physics community alike. Hence, we will devote two additional chapters to further understanding of properties of those operators. (orig.)
Semiclassical dynamics and magnetic Weyl calculus
Energy Technology Data Exchange (ETDEWEB)
Lein, Maximilian Stefan
2011-01-19
Weyl quantization and related semiclassical techniques can be used to study conduction properties of crystalline solids subjected to slowly-varying, external electromagnetic fields. The case where the external magnetic field is constant, is not covered by existing theory as proofs involving usual Weyl calculus break down. This is the regime of the so-called quantum Hall effect where quantization of transverse conductance is observed. To rigorously derive semiclassical equations of motion, one needs to systematically develop a magnetic Weyl calculus which contains a semiclassical parameter. Mathematically, the operators involved in the analysis are magnetic pseudodifferential operators, a topic which by itself is of interest for the mathematics and mathematical physics community alike. Hence, we will devote two additional chapters to further understanding of properties of those operators. (orig.)
Classical and semiclassical aspects of chemical dynamics
International Nuclear Information System (INIS)
Gray, S.K.
1982-08-01
Tunneling in the unimolecular reactions H 2 C 2 → HC 2 H, HNC → HCN, and H 2 CO → H 2 + CO is studied with a classical Hamiltonian that allows the reaction coordinate and transverse vibrational modes to be considered directly. A combination of classical perturbation theory and the semiclassical WKB method allows tunneling probabilities to be obtained, and a statistical theory (RRKM) is used to construct rate constants for these reactions in the tunneling regime. In this fashion, it is found that tunneling may be important, particularly for low excitation energies. Nonadiabatic charge transfer in the reaction Na + I → Na + + I - is treated with classical trajectories based on a classical Hamiltonian that is the analogue of a quantum matrix representation. The charge transfer cross section obtained is found to agree reasonably well with the exact quantum results. An approximate semiclassical formula, valid at high energies, is also obtained. The interaction of radiation and matter is treated from a classical viewpoint. The excitation of an HF molecule in a strong laser is described with classical trajectories. Quantum mechanical results are also obtained and compared to the classical results. Although the detailed structure of the pulse time averaged energy absorption cannot be reproduced classically, classical mechanics does predict the correct magnitude of energy absorption, as well as certain other qualitative features. The classical behavior of a nonrotating diatomic molecule in a strong laser field is considered further, by generating a period advance map that allows the solution over many periods of oscillation of the laser to be obtained with relative ease. Classical states are found to form beautiful spirals in phase space as time progresses. A simple pendulum model is found to describe the major qualitative features
Electron self-mass in the semiclassical limit
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Pradham, T.; Khare, A.
1978-01-01
The semiclassical limit of the electron self-mass, which is the first order term in an expansion of the exact Dyson self-mass in powers of h/2π, is calculated. The result is quadratically divergent in the limit of the cut-off radius tending to zero. It is noted that the present result is quantum mechanical in the same sense as any WKB result and is exact to all orders in e 2 , in contrast to the logarithmically divergent self-mass given by other resuls. (U.K.)
Semiclassical electronic transport in MnAs thin films
International Nuclear Information System (INIS)
Helman, C.; Milano, J.; Steren, L.; Llois, A.M.
2008-01-01
Magneto-transport experiments have been recently performed on MnAs thin films. Hall effect and transverse magnetoresistance measurements have shown interesting and, until now, unknown results. For instance, the transverse magnetoresistance shows no saturation in the presence of very high magnetic fields. In order to understand the contribution of the electronic band structure to the non-saturating magnetoresistance, we perform ab initio calculations, using the Wien2K code and analyze the magneto-transport properties within the semiclassical approximation. We show that non-saturation may be due to the presence of open orbits on the majority Fermi surface
Semiclassical electronic transport in MnAs thin films
Energy Technology Data Exchange (ETDEWEB)
Helman, C. [Dpto de Fisica, ' Juan Jose Giambiagi' , Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Unidad de Actividad Fisica, Centro Atomico Constituyentes, Comision Nacional de Energia Atomica, Buenos Aires (Argentina)], E-mail: helman@tandar.cnea.gov.ar; Milano, J.; Steren, L. [Departamento de Fisica, Centro Atomico Bariloche, Comision Nacional de Energia Atomica, S.C. Bariloche (Argentina); Llois, A.M. [Dpto de Fisica, ' Juan Jose Giambiagi' , Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Unidad de Actividad Fisica, Centro Atomico Constituyentes, Comision Nacional de Energia Atomica, Buenos Aires (Argentina)
2008-07-15
Magneto-transport experiments have been recently performed on MnAs thin films. Hall effect and transverse magnetoresistance measurements have shown interesting and, until now, unknown results. For instance, the transverse magnetoresistance shows no saturation in the presence of very high magnetic fields. In order to understand the contribution of the electronic band structure to the non-saturating magnetoresistance, we perform ab initio calculations, using the Wien2K code and analyze the magneto-transport properties within the semiclassical approximation. We show that non-saturation may be due to the presence of open orbits on the majority Fermi surface.
Nonlinear dynamics of semiclassical coherent states in periodic potentials
International Nuclear Information System (INIS)
Carles, Rémi; Sparber, Christof
2012-01-01
We consider nonlinear Schrödinger equations with either local or nonlocal nonlinearities. In addition, we include periodic potentials as used, for example, in matter wave experiments in optical lattices. By considering the corresponding semiclassical scaling regime, we construct asymptotic solutions, which are concentrated both in space and in frequency around the effective semiclassical phase-space flow induced by Bloch’s spectral problem. The dynamics of these generalized coherent states is governed by a nonlinear Schrödinger model with effective mass. In the case of nonlocal nonlinearities, we establish a novel averaging-type result in the critical case. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical devoted to ‘Coherent states: mathematical and physical aspects’. (paper)
Energy Technology Data Exchange (ETDEWEB)
Martens, Craig C., E-mail: cmartens@uci.edu
2016-12-20
In this paper, we revisit the semiclassical Liouville approach to describing molecular dynamics with electronic transitions using classical trajectories. Key features of the formalism are highlighted. The locality in phase space and presence of nonclassical terms in the generalized Liouville equations are emphasized and discussed in light of trajectory surface hopping methodology. The representation dependence of the coupled semiclassical Liouville equations in the diabatic and adiabatic bases are discussed and new results for the transformation theory of the Wigner functions representing the corresponding density matrix elements given. We show that the diagonal energies of the state populations are not conserved during electronic transitions, as energy is stored in the electronic coherence. We discuss the implications of this observation for the validity of imposing strict energy conservation in trajectory based methods for simulating nonadiabatic processes.
Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation
Church, Matthew S.; Hele, Timothy J. H.; Ezra, Gregory S.; Ananth, Nandini
2018-03-01
We extend the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), a semiclassical method for computing real-time correlation functions, to electronically nonadiabatic systems using the Meyer-Miller-Stock-Thoss (MMST) Hamiltonian in order to treat electronic and nuclear degrees of freedom (dofs) within a consistent dynamic framework. We introduce an efficient symplectic integration scheme, the MInt algorithm, for numerical time evolution of the phase space variables and monodromy matrix under the non-separable MMST Hamiltonian. We then calculate the probability of transmission through a curve crossing in model two-level systems and show that MQC-IVR reproduces quantum-limit semiclassical results in good agreement with exact quantum methods in one limit, and in the other limit yields results that are in keeping with classical limit semiclassical methods like linearized IVR. Finally, exploiting the ability of the MQC-IVR to quantize different dofs to different extents, we present a detailed study of the extents to which quantizing the nuclear and electronic dofs improves numerical convergence properties without significant loss of accuracy.
Reconciling semiclassical and Bohmian mechanics. V. Wavepacket dynamics
International Nuclear Information System (INIS)
Poirier, Bill
2008-01-01
In previous articles [B. Poirier J. Chem. Phys. 121, 4501 (2004); C. Trahan and B. Poirier, ibid. 124, 034115 (2006); 124, 034116 (2006); B. Poirier and G. Parlant, J. Phys. Chem. A 111, 10400 (2007)] a bipolar counterpropagating wave decomposition, ψ=ψ + +ψ - , was presented for stationary states ψ of the one-dimensional Schroedinger equation, such that the components ψ ± approach their semiclassical Wentzel-Kramers-Brillouin analogs in the large action limit. The corresponding bipolar quantum trajectories are classical-like and well behaved, even when ψ has many nodes, or is wildly oscillatory. In this paper, the method is generalized for time-dependent wavepacket dynamics applications and applied to several benchmark problems, including multisurface systems with nonadiabatic coupling
International Nuclear Information System (INIS)
Lewis, Alan M.; Manolopoulos, David E.; Hore, P. J.
2014-01-01
We describe how the semiclassical theory of radical pair recombination reactions recently introduced by two of us [D. E. Manolopoulos and P. J. Hore, J. Chem. Phys. 139, 124106 (2013)] can be generalised to allow for different singlet and triplet recombination rates. This is a non-trivial generalisation because when the recombination rates are different the recombination process is dynamically coupled to the coherent electron spin dynamics of the radical pair. Furthermore, because the recombination operator is a two-electron operator, it is no longer sufficient simply to consider the two electrons as classical vectors: one has to consider the complete set of 16 two-electron spin operators as independent classical variables. The resulting semiclassical theory is first validated by comparison with exact quantum mechanical results for a model radical pair containing 12 nuclear spins. It is then used to shed light on the spin dynamics of a carotenoid-porphyrin-fullerene triad containing considerably more nuclear spins which has recently been used to establish a “proof of principle” for the operation of a chemical compass [K. Maeda, K. B. Henbest, F. Cintolesi, I. Kuprov, C. T. Rodgers, P. A. Liddell, D. Gust, C. R. Timmel, and P. J. Hore, Nature (London) 453, 387 (2008)]. We find in particular that the intriguing biphasic behaviour that has been observed in the effect of an Earth-strength magnetic field on the time-dependent survival probability of the photo-excited C ·+ PF ·− radical pair arises from a delicate balance between its asymmetric recombination and the relaxation of the electron spin in the carotenoid radical
Quantum Dynamical Behaviour in Complex Systems - A Semiclassical Approach
Energy Technology Data Exchange (ETDEWEB)
Ananth, Nandini [Univ. of California, Berkeley, CA (United States)
2008-01-01
One of the biggest challenges in Chemical Dynamics is describing the behavior of complex systems accurately. Classical MD simulations have evolved to a point where calculations involving thousands of atoms are routinely carried out. Capturing coherence, tunneling and other such quantum effects for these systems, however, has proven considerably harder. Semiclassical methods such as the Initial Value Representation (SC-IVR) provide a practical way to include quantum effects while still utilizing only classical trajectory information. For smaller systems, this method has been proven to be most effective, encouraging the hope that it can be extended to deal with a large number of degrees of freedom. Several variations upon the original idea of the SCIVR have been developed to help make these larger calculations more tractable; these range from the simplest, classical limit form, the Linearized IVR (LSC-IVR) to the quantum limit form, the Exact Forward-Backward version (EFB-IVR). In this thesis a method to tune between these limits is described which allows us to choose exactly which degrees of freedom we wish to treat in a more quantum mechanical fashion and to what extent. This formulation is called the Tuning IVR (TIVR). We further describe methodology being developed to evaluate the prefactor term that appears in the IVR formalism. The regular prefactor is composed of the Monodromy matrices (jacobians of the transformation from initial to finial coordinates and momenta) which are time evolved using the Hessian. Standard MD simulations require the potential surfaces and their gradients, but very rarely is there any information on the second derivative. We would like to be able to carry out the SC-IVR calculation without this information too. With this in mind a finite difference scheme to obtain the Hessian on-the-fly is proposed. Wealso apply the IVR formalism to a few problems of current interest. A method to obtain energy eigenvalues accurately for complex
Graphics processing units accelerated semiclassical initial value representation molecular dynamics
Energy Technology Data Exchange (ETDEWEB)
Tamascelli, Dario; Dambrosio, Francesco Saverio [Dipartimento di Fisica, Università degli Studi di Milano, via Celoria 16, 20133 Milano (Italy); Conte, Riccardo [Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322 (United States); Ceotto, Michele, E-mail: michele.ceotto@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, 20133 Milano (Italy)
2014-05-07
This paper presents a Graphics Processing Units (GPUs) implementation of the Semiclassical Initial Value Representation (SC-IVR) propagator for vibrational molecular spectroscopy calculations. The time-averaging formulation of the SC-IVR for power spectrum calculations is employed. Details about the GPU implementation of the semiclassical code are provided. Four molecules with an increasing number of atoms are considered and the GPU-calculated vibrational frequencies perfectly match the benchmark values. The computational time scaling of two GPUs (NVIDIA Tesla C2075 and Kepler K20), respectively, versus two CPUs (Intel Core i5 and Intel Xeon E5-2687W) and the critical issues related to the GPU implementation are discussed. The resulting reduction in computational time and power consumption is significant and semiclassical GPU calculations are shown to be environment friendly.
Wang, Qian; Qin, Pinquan; Wang, Wen-ge
2015-10-01
Based on an analysis of Feynman's path integral formulation of the propagator, a relative criterion is proposed for validity of a semiclassical approach to the dynamics near critical points in a class of systems undergoing quantum phase transitions. It is given by an effective Planck constant, in the relative sense that a smaller effective Planck constant implies better performance of the semiclassical approach. Numerical tests of this relative criterion are given in the XY model and in the Dicke model.
Semiclassical and phase space approaches to dynamic and collisional problems of nuclei
International Nuclear Information System (INIS)
Hasse, R.W.; Gregoire, C.; Remaud, B.; Jaenicke, J.; Schuck, P.
1988-09-01
This article summarises recent work on the semiclassical (Thomas-Fermi like) treatment of nuclear correlations and dynamical problems. After a short outline of hte general technique the nucleon-nucleus optical potential in the doorway approximation (2p-1h and 2h-1p intermediate states) is treated. The imaginary part serves to calculate the energy dependent correction to the real part. The level density parameter, occupation numbers, and the mean free path are discussed. The semiclassical treatment of the nuclear response function is given in detail. Applications to inelastic electron scattering in the quasi-elastic peak region are presented. Analogously, inelastic proton scattering is calculated. Because of the surface absorption this reaction excites the surface response. The imaginary part of the single-particle (hole) potential in the evaluation of the response function introduces a 2p-2h spreading. The missing charge in the longitudinal response is reduced but not all experimental puzzles can be explained. The experience gained in the description of phenomena close to equilibrium serves to construct solutions of the Landau-Vlasov (alias Vlasov-Uehling-Uhlenbeck) equation for the description of non-equilibrium processes encountered in heavy ion reactions
Strong semiclassical approximation of Wigner functions for the Hartree dynamics
Athanassoulis, Agissilaos; Paul, Thierry; Pezzotti, Federica; Pulvirenti, Mario
2011-01-01
We consider the Wigner equation corresponding to a nonlinear Schrödinger evolution of the Hartree type in the semiclassical limit h → 0. Under appropriate assumptions on the initial data and the interaction potential, we show that the Wigner function is close in L 2 to its weak limit, the solution of the corresponding Vlasov equation. The strong approximation allows the construction of semiclassical operator-valued observables, approximating their quantum counterparts in Hilbert-Schmidt topology. The proof makes use of a pointwise-positivity manipulation, which seems necessary in working with the L 2 norm and the precise form of the nonlinearity. We employ the Husimi function as a pivot between the classical probability density and the Wigner function, which - as it is well known - is not pointwise positive in general.
International Nuclear Information System (INIS)
Smith, A.E.; Chadderton, L.T.; Johnson, E.
1978-01-01
Electron diffraction amplitudes at the lower surface of a displaced sandwich crystal are obtained for the high energy limit in the real space formulation. Using semiclassical methods analytical approximations to a resulting overlap integral - central to the problem - are derived. (Auth.)
Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics
International Nuclear Information System (INIS)
White, Alexander J.; Gorshkov, Vyacheslav N.; Wang, Ruixi; Tretiak, Sergei; Mozyrsky, Dmitry
2014-01-01
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 quantum 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
Czech Academy of Sciences Publication Activity Database
Buchholz, M.; Goletz, Ch. M.; Grossman, F.; Schmidt, B.; Heyda, J.; Jungwirth, Pavel
2012-01-01
Roč. 116, č. 46 (2012), s. 11199-11210 ISSN 1089-5639 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : semiclassical molecular dynamics * cluster * wavepacket * coherence * spectra Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.771, year: 2012
International Nuclear Information System (INIS)
Koszykowski, M.L.; Pfeffer, G.A.; Noid, D.W.
1987-01-01
Nonlinear dynamics plays a dominant role in a variety of important problems in chemical physics. Examples are unimolecular reactions, infrared multiphoton decomposition of molecules, the pumping process of the gamma ray laser, dissociation of vibrationally excited state-selected van der Waals's complexes, and many other chemical and atomic processes. The present article discusses recent theoretical studies on the quasi-periodic and chaotic dynamic aspects of vibrational-rotational states of atomic, nuclear, and molecular systems using the semiclassical spectral method (SSM). The authors note that the coordinates, momenta, and so on, are found using classical mechanics in the studies included in this review. They outline the semiclassical spectral method and a wide variety of applications. Although this technique was first developed ten years ago, it has proved to be tremendously successful as a tool used in dynamics problems. Applications include problems in nonlinear dynamics, molecular and atomic spectra, surface science, astronomy and stellar dynamics, nuclear physics, and polymer physics
International Nuclear Information System (INIS)
Petrov, M. Yu.; Yakovlev, S. V.
2012-01-01
Two approaches to the description of spin dynamics of electron-nuclear system in quantum dots are compared: the quantum-mechanical one is based on direct diagonalization of the model Hamiltonian and semiclassical one is based on coupled equations for precession of mean electron spin and mean spin of nuclear spin fluctuations. The comparison was done for a model problem describing periodic excitation of electron-nuclear system by optical excitation. The computation results show that scattering of parameters related to fluctuation of the nuclear spin system leads to appearance of an ordered state in the system caused by periodic excitation and to the effect of electron-spin mode locking in an external magnetic field. It is concluded that both models can qualitatively describe the mode-locking effect, however give significantly different quantitative results. This may indicate the limited applicability of the precession model for describing the spin dynamics in quantum dots in the presence of optical pumping.
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.
International Nuclear Information System (INIS)
Xiao, Cong; Li, Dingping
2016-01-01
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. (paper)
Semiclassical treatment of inelastic collisions between electrons and highly ionized atoms
International Nuclear Information System (INIS)
Frasier, S.M.
1984-01-01
The thesis is concerned with the calculation of excitation cross sections of ions by electron impact at intermediate energies in the limit of Z >> N/sub b/, where Z is the atomic number and N/sub b/ is the number of bound electrons. A semiclassical procedure is developed for calculating total cross sections using analytic bound states and averaged free electron wave functions derived in the second eikonal approximation. The analytic bound states are derived assuming a screened Coulomb potential and using orbital energies obtained from Hartree-Fock calculations. The functional form of the bound states reduces naturally to the hydrogen atom functions in the limit Z → infinity. The free electron functions used are semiclassical solutions to the free electron Schroedinger equation with a screened Coulomb potential. An exact solution is obtained in the second eikonal approximation, including all classical path contributions. This solution is averaged to extract the focusing and acceleration effects resulting from the long range Coulomb potential of the ion. The results are presented in the form of Born-like cross section formulae and demonstrate the appropriate correction of the Born cross section which arises from the acceleration and focusing of the free electrons by the long range Coulomb potential. Comparison is made with the Coulomb-Born results; the results agree to within 10% in most cases
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.
"Divide-and-conquer" semiclassical molecular dynamics: An application to water clusters
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.
Semiclassical transport of particles with dynamical spectral functions
International Nuclear Information System (INIS)
Cassing, W.; Juchem, S.
2000-01-01
The conventional transport of particles in the on-shell quasiparticle limit is extended to particles of finite life time by means of a spectral function A(X,P,M 2 ) for a particle moving in an area of complex self-energy Σ ret X =Re Σ ret X -iΓ X /2. Starting from the Kadanoff--Baym equations we derive in first-order gradient expansion equations of motion for testparticles with respect to their time evolution in X,P and M 2 . The off-shell propagation is demonstrated for a couple of model cases that simulate hadron-nucleus collisions. In case of nucleus-nucleus collisions the imaginary part of the hadron self-energy Γ X is determined by the local space-time dependent collision rate dynamically. A first application is presented for A+A reactions up to 95 A MeV, where the effects from the off-shell propagation of nucleons are discussed with respect to high energy proton spectra, high energy photon production as well as kaon yields in comparison to the available data from GANIL
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.
On the effect of electron's runaway in partially ionized hydrogen semiclassical nonideal plasma
International Nuclear Information System (INIS)
Turekhanova, K.M.
2011-01-01
Complete text of publication follows. The effect of runaway electrons occurs frequently in tokamak plasmas. The majority of experiments in tokamak research have been devoted to the study of confinement properties of runaway electrons. Runaway electrons are reason of various destroying untolarance in tokamak plasmas. At high plasma density, when the critical energy is comparable with the rest energy the multiplication of runaway electrons accelerate at the sacrifice of increase of plasma density. The plasma conductivity is determined by electrons with energy several times higher than the thermal one and does not practically depend on slower electrons distribution. It is important to analyze the probability of runaway electrons at investigation of physical properties of nonideal plasmas under external electric field and running numerical simulations of their. The present paper is devoted to the investigation of effect of runaway electrons in partially ionized hydrogen dense plasma using the effective potentials of particle's interaction. At the investigation of composition of plasma we used the Saha equation with corrections to nonideality (lowering of ionization potentials). The Saha equation was solved for obtaining of plasma ionization stages at the different number density and temperature. As well, when take into account quantum-mechanical diffraction and screening effects, whereas free path of electrons increases with increase of plasma coupling parameter. The condition for appearance of runaway electrons in semiclassical partially ionized plasma is more favorable in regime of dense plasma. In summary it means that the probability of runaway electron in dense plasma is more than the same in rarified plasma that is possibly connected with formation of some ordered structures in dense plasma.
International Nuclear Information System (INIS)
Song, Mi-Young; Jung, Young-Dae
2003-01-01
Quantum screening effects on the occurrence scattering time advance for elastic electron-ion collisions in strongly coupled semiclassical plasmas are investigated using the second-order eikonal analysis. The electron-ion interaction in strongly coupled semiclassical plasmas is obtained by the pseudopotential model taking into account the plasma screening and quantum effects. It is found that the quantum-mechanical effects significantly reduce the occurrence scattering time advance. It is also found that the occurrence scattering time advance increases with increasing Debye length. It is quite interesting to note that the domain of the maximum occurrence time advance is localized for the forward scattering case. The region of the scaled thermal de Broglie wave length (λ-bar) for the maximum occurrence time advance is found to be 0.4≤λ-bar≤1.4
Particle on a torus knot: Constrained dynamics and semi-classical quantization in a magnetic field
Energy Technology Data Exchange (ETDEWEB)
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 torus 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.
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.
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
International Nuclear Information System (INIS)
Kazansky, A.K.
1984-01-01
The semiclassical approach is developed to calculate the cross sections of vibrational excitation and dissociative attachment for diatomic molecules within the framework of the 'boomerang model'. The formulae obtained reveal the energy dependence of the cross sections on the parameters of the system. Numerical calculations for N 2 , CO, H 2 , HD and D 2 confirm the high accuracy of the method. (author)
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.
Damping in nuclear collective modes in a semiclassical fluid-dynamical approximation
International Nuclear Information System (INIS)
Vignolo, C.E.; Hernandez, Susana
1989-01-01
A semiclassical fluiddynamical model based on an usual scaling approximation (SCA) was extended to investigate the role of one and two-body dissipation in the widths of nuclear collective modes. The competition between one and two-body viscosity in: i) the collisionless (elastic) limit; ii) the hydrodynamical case and iii) the general viscoelastic regime is examined over the whole range of nuclear collision time scales. Numerical solutions are investigated for the first magnetic 2 - twist mode in 208 Pb. (Author) [es
International Nuclear Information System (INIS)
Kryuchkov, S V; Kukhar’, E I; Zav’yalov, D V
2013-01-01
The semiclassical theory of the dynamics of the charge carriers in graphene and in graphene superlattices exposed to a high-frequency electric field is developed. The dispersion law of the solid averaged over the period of the high-frequency electric field is found with the Kapitza method. The band gap in graphene is shown to arise under a high-frequency electric field polarized circularly. The effective mass of charge carriers in the center of the Brillouin band of the graphene superlattice is found to change sign under certain values of the amplitude of the high-frequency field. These values are shown to determine the bounds of the regions of the electromagnetic 2π-pulse stability. The dynamics of the π-pulse in a graphene superlattice is studied. (paper)
Semiclassical methods for nonseparable systems
International Nuclear Information System (INIS)
Garrett, B.C.
1977-08-01
Semiclassical techniques have been widely used for describing the dynamics of molecular collisions. The calculation of discrete energy eigenvalue spectra in bound systems has also employed semiclassical methods. Work has been done toward developing semiclassical theories for rate constants in reactive systems and semiclassical eigenvalues in bound systems. Application of these theories have been made to nonseparable multidimensional systems. Transition-state theory has played an important role in chemical kinetics, and is very useful for approximating reaction rate constants for molecular systems. Many shortcomings of transition-state theory can be attributed to the assumption of separability of motion along the reaction coordinate. Semiclassical approximations have been made to the quantum rate expression, and the resulting semiclassical theory has been applied to the reactive H + H 2 system. Comparison of this nonseparable theory with quantum scattering calculations shows agreement which is quite good. Although the quantum condition for one-dimensional bound systems is well-known, generalization of these results to multidimensional nonseparable systems is not obvious. Work has been done toward a semiclassical quantum condition which is closest to the approach of Born. The Hamilton--Jacobi equation for the systems is solved in action--angle variables; in this way the classical Hamiltonian can be expressed as a function of action variables which are constants of motion for the system. Requiring the action variables to be integers provides the semiclassical eigenvalues. Numerical calculations have been performed on a two-dimensional coupled potential well with good agreement with the quantum eigenvalues. 18 figures, 6 tables
Electron dynamics in solid state via time varying wavevectors
Khaneja, Navin
2018-06-01
In this paper, we study electron wavepacket dynamics in electric and magnetic fields. We rigorously derive the semiclassical equations of electron dynamics in electric and magnetic fields. We do it both for free electron and electron in a periodic potential. We do this by introducing time varying wavevectors k(t). In the presence of magnetic field, our wavepacket reproduces the classical cyclotron orbits once the origin of the Schröedinger equation is correctly chosen to be center of cyclotron orbit. In the presence of both electric and magnetic fields, our equations for wavepacket dynamics differ from classical Lorentz force equations. We show that in a periodic potential, on application of electric field, the electron wave function adiabatically follows the wavefunction of a time varying Bloch wavevector k(t), with its energies suitably shifted with time. We derive the effective mass equation and discuss conduction in conductors and insulators.
On-the-fly ab initio semiclassical dynamics: Emission spectra of oligothiophenes
Wehrle, Marius; Sulc, Miroslav; Vanicek, Jiri
2014-03-01
We employ the thawed Gaussian approximation (TGA) [E. J. Heller, J. Chem. Phys. 62, 1544 (1975)] within an on-the-fly ab initio (OTF-AI) scheme to calculate the vibrationally resolved emission spectra of oligothiophenes up to five rings. OTF-AI-TGA is efficient enough to treat all vibrational degrees of freedom on an equal footing even in case of 5-oligothiophene (105 vibrational degrees of freedom), thus obviating the need for the crude global harmonic approximation, popular for large system. The experimental emission spectra have been almost perfectly reproduced. In order to provide a deeper insight into the associated physical and chemical processes, we present a systematic approach to assess the importance and to analyze the mutual coupling of individual vibrational degrees of freedom during the dynamics. This allows us to explain the changes in the vibrational line shapes of the oligothiophenes with increasing number of rings. Furthermore, we observe the dynamical interplay between quinoid and aromatic characters of individual rings in the oligothiophene chain during the dynamics and confirm that the quinoid character prevails in the center of the chain. This research was supported by the Swiss NSF Grant No. 200021_124936/1 and NCCR Molecular Ultrafast Science & Technology (MUST), and by the EPFL.
Semiclassical analysis of the kicked Rydberg atom
International Nuclear Information System (INIS)
Yoshida, S.; Persson, E.; Burgdoerfer, J.; Grossmann, F.; Reinhold, C.
2001-01-01
Full text: The kicked atom is known as the testing ground for the study of quantum chaos and proven to show the quantum localization as the scarred wavefunction while the corresponding classical counterpart shows chaotic behavior. This apparent contradiction between the ubiquitousness of classical chaotic dynamics and the lack thereof in quantum dynamics brings into focus the open problem of a semiclassical description of quantum localization. We analyze the kicked atom using a semiclassical approximation based on Gaussian wave packets (Herman-Kluk Propagator) and examine the semiclassical manifestation of quantum localization. (author)
Semiclassical eigenenergies in the wake of fast ions in solids
International Nuclear Information System (INIS)
Mueller, J.; Burgdoerfer, J.; Noid, D.W.
1990-01-01
We compare the semiclassical and quantum mechanical eigenenergies of an electron in the wake of a fast, highly charged ion traversing a solid. The classical dynamics of this system shows a transition from regular to chaotic motion as a function of the binding energy. The transition can also be seen in the quantal spectra. We find evidence for a connection between bifurcation of tori and disorder in the energy level sequences. 21 refs., 4 figs
Nonadiabatic effects in electronic and nuclear dynamics
Directory of Open Access Journals (Sweden)
Martin P. Bircher
2017-11-01
Full Text Available Due to their very nature, ultrafast phenomena are often accompanied by the occurrence of nonadiabatic effects. From a theoretical perspective, the treatment of nonadiabatic processes makes it necessary to go beyond the (quasi static picture provided by the time-independent Schrödinger equation within the Born-Oppenheimer approximation and to find ways to tackle instead the full time-dependent electronic and nuclear quantum problem. In this review, we give an overview of different nonadiabatic processes that manifest themselves in electronic and nuclear dynamics ranging from the nonadiabatic phenomena taking place during tunnel ionization of atoms in strong laser fields to the radiationless relaxation through conical intersections and the nonadiabatic coupling of vibrational modes and discuss the computational approaches that have been developed to describe such phenomena. These methods range from the full solution of the combined nuclear-electronic quantum problem to a hierarchy of semiclassical approaches and even purely classical frameworks. The power of these simulation tools is illustrated by representative applications and the direct confrontation with experimental measurements performed in the National Centre of Competence for Molecular Ultrafast Science and Technology.
Semiclassical universe from first principles
International Nuclear Information System (INIS)
Ambjorn, J.; Jurkiewicz, J.; Loll, R.
2005-01-01
Causal dynamical triangulations in four dimensions provide a background-independent definition of the sum over space-time geometries in non-perturbative quantum gravity. We show that the macroscopic four-dimensional world which emerges in the Euclidean sector of this theory is a bounce which satisfies a semiclassical equation. After integrating out all degrees of freedom except for a global scale factor, we obtain the ground state wave function of the universe as a function of this scale factor
Semiclassical approach to fidelity amplitude
International Nuclear Information System (INIS)
García-Mata, Ignacio; Vallejos, Raúl O; Wisniacki, Diego A
2011-01-01
The fidelity amplitude (FA) is a quantity of paramount importance in echo-type experiments. We use semiclassical theory to study the average FA for quantum chaotic systems under external perturbation. We explain analytically two extreme cases: the random dynamics limit - attained approximately by strongly chaotic systems - and the random perturbation limit, which shows a Lyapunov decay. Numerical simulations help us to bridge the gap between both the extreme cases. (paper)
International Nuclear Information System (INIS)
Adams, J.E.
1979-05-01
The difficulty of applying the WKB approximation to problems involving arbitrary potentials has been confronted. Recent work has produced a convenient expression for the potential correction term. However, this approach does not yield a unique correction term and hence cannot be used to construct the proper modification. An attempt is made to overcome the uniqueness difficulties by imposing a criterion which permits identification of the correct modification. Sections of this work are: semiclassical eigenvalues for potentials defined on a finite interval; reactive scattering exchange kernels; a unified model for elastic and inelastic scattering from a solid surface; and selective absorption on a solid surface
Stellar Equilibrium in Semiclassical Gravity.
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.
Coherent semiclassical states for loop quantum cosmology
International Nuclear Information System (INIS)
Corichi, Alejandro; Montoya, Edison
2011-01-01
The spatially flat Friedmann-Robertson-Walker cosmological model with a massless scalar field in loop quantum cosmology admits a description in terms of a completely solvable model. This has been used to prove that: (i) the quantum bounce that replaces the big bang singularity is generic; (ii) there is an upper bound on the energy density for all states, and (iii) semiclassical states at late times had to be semiclassical before the bounce. Here we consider a family of exact solutions to the theory, corresponding to generalized coherent Gaussian and squeezed states. We analyze the behavior of basic physical observables and impose restrictions on the states based on physical considerations. These turn out to be enough to select, from all the generalized coherent states, those that behave semiclassical at late times. We study then the properties of such states near the bounce where the most 'quantum behavior' is expected. As it turns out, the states remain sharply peaked and semiclassical at the bounce and the dynamics is very well approximated by the ''effective theory'' throughout the time evolution. We compare the semiclassicality properties of squeezed states to those of the Gaussian semiclassical states and conclude that the Gaussians are better behaved. In particular, the asymmetry in the relative fluctuations before and after the bounce are negligible, thus ruling out claims of so-called 'cosmic forgetfulness'.
Dynamic Flaps Electronic Scan Antenna
National Research Council Canada - National Science Library
Gonzalez, Daniel
2000-01-01
A dynamic FLAPS(TM) electronic scan antenna was the focus of this research. The novelty S of this SBIR resides in the use of plasma as the main component of this dynamic X-Band phased S array antenna...
Electron Cyclotron Resonances in Electron Cloud Dynamics
International Nuclear Information System (INIS)
Celata, Christine; Celata, C.M.; Furman, Miguel A.; Vay, J.-L.; Yu, Jennifer W.
2008-01-01
We report a previously unknown resonance for electron cloud dynamics. The 2D simulation code 'POSINST' was used to study the electron cloud buildup at different z positions in the International Linear Collider positron damping ring wiggler. An electron equilibrium density enhancement of up to a factor of 3 was found at magnetic field values for which the bunch frequency is an integral multiple of the electron cyclotron frequency. At low magnetic fields the effects of the resonance are prominent, but when B exceeds ∼(2 pi mec/(elb)), with lb = bunch length, effects of the resonance disappear. Thus short bunches and low B fields are required for observing the effect. The reason for the B field dependence, an explanation of the dynamics, and the results of the 2D simulations and of a single-particle tracking code used to elucidate details of the dynamics are discussed
International Nuclear Information System (INIS)
Faure, F.
1993-01-01
This thesis deals with problems linked to the study of the semi-classical limit in quantum dynamics. The first part presents a geometrical formulation which is tantamount to the time dependent variational principle. The classical dynamics is considered as an orthogonal projection of the quantum dynamics on the family of coherent states. The angle of projection provides an information on the validity of the approximation. This angle is studied in an illustrating example. In the second part, we study quantum mechanics on the torus as a phase space, and particularly degeneracies in the spectrum of Harper like models or kicked Harper like models which manifest chaotic dynamics. These models find direct applications in solid state physics, especially with the quantum Hall effect. In this study, we use the Chern index, which is a topological characterization of the localization of the eigenfunctions as some periodicity conditions are changed. The use of the Husimi distribution provides a phase space representation of the quantum states. We discuss the role played by separatrix-states, by the effects of quantum tunneling, and by a classically chaotic dynamics. (orig.)
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.
Interparticle interaction and transport processes in dense semiclassical plasmas
International Nuclear Information System (INIS)
Baimbetov, F.B.; Giniyatova, Sh.G.
2005-01-01
On the basis of the density response formalism an expression for the pseudopotential of dense semiclassical plasma, which takes account of quantum-mechanical effects, local field corrections, and electronic screening effects is obtained. The static structure factors taking into account both local fields and quantum-mechanical effects are calculated. An electrical conductivity, thermal conductivity, and viscosity of dense semiclassical plasma are studied
Semiclassical description of resonant tunneling
International Nuclear Information System (INIS)
Bogomolny, E.B.; Rouben, D.C.
1996-01-01
A semiclassical formula is calculated for the tunneling current of electrons trapped in a potential well which can tunnel into and across a wide quantum well. The tunneling current is measured at the second interface of this well and the calculations idealized an experimental situation where a strong magnetic field tilted with respect to an electric field was used. It is shown that the contribution to the tunneling current, due to trajectories which begin at the first interface and end on the second, is dominant for periodic orbits which hit both walls of the quantum well. (author)
Semiclassical theory for the nuclear response function
International Nuclear Information System (INIS)
Stroth, U.
1986-01-01
In the first part of this thesis it was demonstrated how on a semiclassical base a RPA theory is developed and applied to electron scattering. It was shown in which fields of nuclear physics this semiclassical theory can be applied and how it is to be understood. In this connection we dedicated an extensive discussion to the Fermi gas model. From the free response function we calculated the RPA response with a finite-range residual interaction which we completely antisymmetrize. In the second part of this thesis we studied with our theory (e,e') data for the separated response functions. (orig./HSI) [de
Semiclassical multicomponent wave function
Mostovoy, M.V.
A consistent method for obtaining the semiclassical multicomponent wave function for any value of adiabatic parameter is discussed and illustrated by examining the motion of a neutral particle in a nonuniform magnetic field. The method generalizes the Bohr-Sommerfeld quantization rule to
Classical molecular dynamics simulation of electronically non-adiabatic processes.
Miller, William H; Cotton, Stephen J
2016-12-22
Both classical and quantum mechanics (as well as hybrids thereof, i.e., semiclassical approaches) find widespread use in simulating dynamical processes in molecular systems. For large chemical systems, however, which involve potential energy surfaces (PES) of general/arbitrary form, it is usually the case that only classical molecular dynamics (MD) approaches are feasible, and their use is thus ubiquitous nowadays, at least for chemical processes involving dynamics on a single PES (i.e., within a single Born-Oppenheimer electronic state). This paper reviews recent developments in an approach which extends standard classical MD methods to the treatment of electronically non-adiabatic processes, i.e., those that involve transitions between different electronic states. The approach treats nuclear and electronic degrees of freedom (DOF) equivalently (i.e., by classical mechanics, thereby retaining the simplicity of standard MD), and provides "quantization" of the electronic states through a symmetrical quasi-classical (SQC) windowing model. The approach is seen to be capable of treating extreme regimes of strong and weak coupling between the electronic states, as well as accurately describing coherence effects in the electronic DOF (including the de-coherence of such effects caused by coupling to the nuclear DOF). A survey of recent applications is presented to illustrate the performance of the approach. Also described is a newly developed variation on the original SQC model (found universally superior to the original) and a general extension of the SQC model to obtain the full electronic density matrix (at no additional cost/complexity).
Semiclassical quantization of nonadiabatic systems with hopping periodic orbits
International Nuclear Information System (INIS)
Fujii, Mikiya; Yamashita, Koichi
2015-01-01
We present a semiclassical quantization condition, i.e., quantum–classical correspondence, for steady states of nonadiabatic systems consisting of fast and slow degrees of freedom (DOFs) by extending Gutzwiller’s trace formula to a nonadiabatic form. The quantum–classical correspondence indicates that a set of primitive hopping periodic orbits, which are invariant under time evolution in the phase space of the slow DOF, should be quantized. The semiclassical quantization is then applied to a simple nonadiabatic model and accurately reproduces exact quantum energy levels. In addition to the semiclassical quantization condition, we also discuss chaotic dynamics involved in the classical limit of nonadiabatic dynamics
Spin dynamics in electron synchrotrons
International Nuclear Information System (INIS)
Schmidt, Jan Felix
2017-01-01
Providing spin polarized particle beams with circular accelerators requires the consideration of depolarizing resonances which may significantly reduce the desired degree of polarization at specific beam energies. The corresponding spin dynamical effects are typically analyzed with numerical methods. In case of electron beams the influence of the emission of synchrotron radiation has to be taken into account. On short timescales, as in synchrotrons with a fast energy ramp or in damping rings, spin dynamics are investigated with spin tracking algorithms. This thesis presents the spin tracking code Polematrix as a versatile tool to study the impact of synchrotron radiation on spin dynamics. Spin tracking simulations have been performed based on the well established particle tracking code Elegant. The numerical studies demonstrate effects which are responsible for beam depolarization: Synchrotron side bands of depolarizing resonances and decoherence of spin precession. Polematrix can be utilized for any electron accelerator with minimal effort as it imports lattice files from the tracking programs MAD-X or Elegant. Polematrix has been published as open source software. Currently, the Electron Stretcher Accelerator ELSA at Bonn University is the only electron synchrotron worldwide providing a polarized beam. Integer and intrinsic depolarizing resonances are compensated with dedicated countermeasures during the fast energy ramp. Polarization measurements from ELSA demonstrate the particular spin dynamics of electrons and confirm the results of the spin tracking code Polematrix.
Microscopic Electron Dynamics in Metal Nanoparticles for Photovoltaic Systems
Directory of Open Access Journals (Sweden)
Katarzyna Kluczyk
2018-06-01
Full Text Available Nanoparticles—regularly patterned or randomly dispersed—are a key ingredient for emerging technologies in photonics. Of particular interest are scattering and field enhancement effects of metal nanoparticles for energy harvesting and converting systems. An often neglected aspect in the modeling of nanoparticles are light interaction effects at the ultimate nanoscale beyond classical electrodynamics. Those arise from microscopic electron dynamics in confined systems, the accelerated motion in the plasmon oscillation and the quantum nature of the free electron gas in metals, such as Coulomb repulsion and electron diffusion. We give a detailed account on free electron phenomena in metal nanoparticles and discuss analytic expressions stemming from microscopic (Random Phase Approximation—RPA and semi-classical (hydrodynamic theories. These can be incorporated into standard computational schemes to produce more reliable results on the optical properties of metal nanoparticles. We combine these solutions into a single framework and study systematically their joint impact on isolated Au, Ag, and Al nanoparticles as well as dimer structures. The spectral position of the plasmon resonance and its broadening as well as local field enhancement show an intriguing dependence on the particle size due to the relevance of additional damping channels.
Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics
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.
A zeta function approach to the semiclassical quantization of maps
International Nuclear Information System (INIS)
Smilansky, Uzi.
1993-11-01
The quantum analogue of an area preserving map on a compact phase space is a unitary (evolution) operator which can be represented by a matrix of dimension L∝ℎ -1 . The semiclassical theory for spectrum of the evolution operator will be reviewed with special emphasize on developing a dynamical zeta function approach, similar to the one introduced recently for a semiclassical quantization of hamiltonian systems. (author)
International Nuclear Information System (INIS)
Bellonzi, Nicole; Jain, Amber; Subotnik, Joseph E.
2016-01-01
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 that 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.
Renormalized semiclassical quantization for rescalable Hamiltonians
International Nuclear Information System (INIS)
Takahashi, Satoshi; Takatsuka, Kazuo
2004-01-01
A renormalized semiclassical quantization method for rescalable Hamiltonians is proposed. A classical Hamilton system having a potential function that consists of homogeneous polynomials like the Coulombic potential can have a scale invariance in its extended phase space (phase space plus time). Consequently, infinitely many copies of a single trajectory constitute a one-parameter family that is characterized in terms of a scaling factor. This scaling invariance in classical dynamics is lost in quantum mechanics due to the presence of the Planck constant. It is shown that in a system whose classical motions have a self-similarity in the above sense, classical trajectories adopted in the semiclassical scheme interact with infinitely many copies of their own that are reproduced by the relevant scaling procedure, thereby undergoing quantum interference among themselves to produce a quantized spectrum
Semiclassical scattering theory
International Nuclear Information System (INIS)
Di Salvo, A.
1985-01-01
It is intended to write the semiclassical scattering amplitude as a sum of terms, each of them being associated to trajectory. First of all the classical equations of motion are studied, considering both the analytical (real and complex) solutions and a certain type of singular solutions, which behave similary to the difracted rays in optics; in particular, in the case of a central nuclear potential, classical effects like rainbow and orbiting and also wave effects like diffraction and direct reflection are singled out. Successively, considering the Debye expansion of the scattering amplitude relative to a central nuclear potential, and evaluating asymptotically each term by means of the saddle point technique, the decay exponents and difraction coefficients relative to such a potential are determined
Semiclassical unimodular gravity
International Nuclear Information System (INIS)
Fiol, Bartomeu; Garriga, Jaume
2010-01-01
Classically, unimodular gravity is known to be equivalent to General Relativity (GR), except for the fact that the effective cosmological constant Λ has the status of an integration constant. Here, we explore various formulations of unimodular gravity beyond the classical limit. We first consider the non-generally covariant action formulation in which the determinant of the metric is held fixed to unity. We argue that the corresponding quantum theory is also equivalent to General Relativity for localized perturbative processes which take place in generic backgrounds of infinite volume (such as asymptotically flat spacetimes). Next, using the same action, we calculate semiclassical non-perturbative quantities, which we expect will be dominated by Euclidean instanton solutions. We derive the entropy/area ratio for cosmological and black hole horizons, finding agreement with GR for solutions in backgrounds of infinite volume, but disagreement for backgrounds with finite volume. In deriving the above results, the path integral is taken over histories with fixed 4-volume. We point out that the results are different if we allow the 4-volume of the different histories to vary over a continuum range. In this ''generalized'' version of unimodular gravity, one recovers the full set of Einstein's equations in the classical limit, including the trace, so Λ is no longer an integration constant. Finally, we consider the generally covariant theory due to Henneaux and Teitelboim, which is classically equivalent to unimodular gravity. In this case, the standard semiclassical GR results are recovered provided that the boundary term in the Euclidean action is chosen appropriately
DEFF Research Database (Denmark)
Lykke, Lars; Iversen, Bo Brummerstedt; Madsen, Georg
2006-01-01
The band structure of the low-temperature thermoelectric material, CsBi4Te6, is calculated and analyzed using the semiclassic transport equations. It is shown that to obtain a quantitative agreement with measured transport properties, a band gap of 0.08 eV must be enforced. A gap in reasonable...... agreement with experiment was obtained using the generalized gradient functional of Engel and Vosko [E. Engel and S. H. Vosko, Phys. Rev. B 47, 13164 (1993)]. We found that the experimental p-type sample has a carrier concentration close to optimal. Furthermore, the conduction bands have a form equally well...
Ultrafast dynamics of correlated electrons
International Nuclear Information System (INIS)
Rettig, Laurenz
2012-01-01
This work investigates the ultrafast electron dynamics in correlated, low-dimensional model systems using femtosecond time- and angle-resolved photoemission spectroscopy (trARPES) directly in the time domain. In such materials, the strong electron-electron (e-e) correlations or coupling to other degrees of freedom such as phonons within the complex many-body quantum system lead to new, emergent properties that are characterized by phase transitions into broken-symmetry ground states such as magnetic, superconducting or charge density wave (CDW) phases. The dynamical processes related to order like transient phase changes, collective excitations or the energy relaxation within the system allow deeper insight into the complex physics governing the emergence of the broken-symmetry state. In this work, several model systems for broken-symmetry ground states and for the dynamical charge balance at interfaces have been studied. In the quantum well state (QWS) model system Pb/Si(111), the charge transfer across the Pb/Si interface leads to an ultrafast energetic stabilization of occupied QWSs, which is the result of an increase of the electronic confinement to the metal film. In addition, a coherently excited surface phonon mode is observed. In antiferromagnetic (AFM) Fe pnictide compounds, a strong momentum-dependent asymmetry of electron and hole relaxation rates allows to separate the recovery dynamics of the AFM phase from electron-phonon (e-ph) relaxation. The strong modulation of the chemical potential by coherent phonon modes demonstrates the importance of e-ph coupling in these materials. However, the average e-ph coupling constant is found to be small. The investigation of the excited quasiparticle (QP) relaxation dynamics in the high-T c 4 superconductor Bi 2 Sr 2 CaCu 2 O 8+δ reveals a striking momentum and fluence independence of the QP life times. In combination with the momentum-dependent density of excited QPs, this demonstrates the suppression of momentum
Ultrafast dynamics of correlated electrons
Energy Technology Data Exchange (ETDEWEB)
Rettig, Laurenz
2012-07-09
This work investigates the ultrafast electron dynamics in correlated, low-dimensional model systems using femtosecond time- and angle-resolved photoemission spectroscopy (trARPES) directly in the time domain. In such materials, the strong electron-electron (e-e) correlations or coupling to other degrees of freedom such as phonons within the complex many-body quantum system lead to new, emergent properties that are characterized by phase transitions into broken-symmetry ground states such as magnetic, superconducting or charge density wave (CDW) phases. The dynamical processes related to order like transient phase changes, collective excitations or the energy relaxation within the system allow deeper insight into the complex physics governing the emergence of the broken-symmetry state. In this work, several model systems for broken-symmetry ground states and for the dynamical charge balance at interfaces have been studied. In the quantum well state (QWS) model system Pb/Si(111), the charge transfer across the Pb/Si interface leads to an ultrafast energetic stabilization of occupied QWSs, which is the result of an increase of the electronic confinement to the metal film. In addition, a coherently excited surface phonon mode is observed. In antiferromagnetic (AFM) Fe pnictide compounds, a strong momentum-dependent asymmetry of electron and hole relaxation rates allows to separate the recovery dynamics of the AFM phase from electron-phonon (e-ph) relaxation. The strong modulation of the chemical potential by coherent phonon modes demonstrates the importance of e-ph coupling in these materials. However, the average e-ph coupling constant is found to be small. The investigation of the excited quasiparticle (QP) relaxation dynamics in the high-T{sub c}4 superconductor Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+δ} reveals a striking momentum and fluence independence of the QP life times. In combination with the momentum-dependent density of excited QPs, this demonstrates the
Dynamical effects in electron spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Zhou, Jianqiang Sky, E-mail: jianqiang.zhou@polytechnique.edu; Reshetnyak, Igor; Giorgetti, Christine; Sottile, Francesco; Reining, Lucia [Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM-IRAMIS, Université Paris-Saclay, F-91128 Palaiseau (France); Kas, J. J.; Rehr, J. J. [Department of Physics, University of Washington, Seattle, Washington 98195-1560 (United States); Sponza, Lorenzo [Department of Physics, King’s College London, London WC2R 2LS (United Kingdom); Guzzo, Matteo [Institut für Physik und IRIS Adlershof, Humboldt-Universität zu Berlin, D-12489 Berlin (Germany); Gatti, Matteo [Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM-IRAMIS, Université Paris-Saclay, F-91128 Palaiseau (France); Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette (France)
2015-11-14
One of the big challenges of theoretical condensed-matter physics is the description, understanding, and prediction of the effects of the Coulomb interaction on materials properties. In electronic spectra, the Coulomb interaction causes a renormalization of energies and change of spectral weight. Most importantly, it can lead to new structures, often called satellites. These can be linked to the coupling of excitations, also termed dynamical effects. State-of-the-art methods in the framework of many-body perturbation theory, in particular, the widely used GW approximation, often fail to describe satellite spectra. Instead, approaches based on a picture of electron-boson coupling such as the cumulant expansion are promising for the description of plasmon satellites. In this work, we give a unified derivation of the GW approximation and the cumulant expansion for the one-body Green’s function. Using the example of bulk sodium, we compare the resulting spectral functions both in the valence and in the core region, and we discuss the dispersion of quasi-particles and satellites. We show that self-consistency is crucial to obtain meaningful results, in particular, at large binding energies. Very good agreement with experiment is obtained when the intrinsic spectral function is corrected for extrinsic and interference effects. Finally, we sketch how one can approach the problem in the case of the two-body Green’s function, and we discuss the cancellation of various dynamical effects that occur in that case.
Dynamical effects in electron spectroscopy
International Nuclear Information System (INIS)
Zhou, Jianqiang Sky; Reshetnyak, Igor; Giorgetti, Christine; Sottile, Francesco; Reining, Lucia; Kas, J. J.; Rehr, J. J.; Sponza, Lorenzo; Guzzo, Matteo; Gatti, Matteo
2015-01-01
One of the big challenges of theoretical condensed-matter physics is the description, understanding, and prediction of the effects of the Coulomb interaction on materials properties. In electronic spectra, the Coulomb interaction causes a renormalization of energies and change of spectral weight. Most importantly, it can lead to new structures, often called satellites. These can be linked to the coupling of excitations, also termed dynamical effects. State-of-the-art methods in the framework of many-body perturbation theory, in particular, the widely used GW approximation, often fail to describe satellite spectra. Instead, approaches based on a picture of electron-boson coupling such as the cumulant expansion are promising for the description of plasmon satellites. In this work, we give a unified derivation of the GW approximation and the cumulant expansion for the one-body Green’s function. Using the example of bulk sodium, we compare the resulting spectral functions both in the valence and in the core region, and we discuss the dispersion of quasi-particles and satellites. We show that self-consistency is crucial to obtain meaningful results, in particular, at large binding energies. Very good agreement with experiment is obtained when the intrinsic spectral function is corrected for extrinsic and interference effects. Finally, we sketch how one can approach the problem in the case of the two-body Green’s function, and we discuss the cancellation of various dynamical effects that occur in that case
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.
Improved multidimensional semiclassical tunneling theory.
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.
Pauli blocking and laser manipulation of the electron dynamics in atomic collisions
International Nuclear Information System (INIS)
Kirchner, T.
2004-01-01
Full text: The dynamics of ion-atom collisions are governed primarily by the Coulomb interactions between the active electrons and the projectile and target nuclei. This contribution is devoted to the question whether and how other phenomena can modify the outcome of atomic scattering experiments. Firstly, the role of the Pauli exclusion principle on electronic transitions will be considered. Supported by experimental data it will be argued that Pauli blocking may have an important influence on electron transfer processes if collision systems with electrons on target and projectile in the initial channel are addressed [1]. Secondly, it will be discussed to which extent the electron dynamics can be modified and manipulated by an external interaction, namely by a suitable laser field [2]. The prototype scattering system He 2+ -H will be considered in the framework of the semiclassical approximation, i.e., projectile and laser interactions are described in terms of time-dependent external potentials which govern the quantum dynamics of the electron. The focus will be on slow collisions, in which electron transfer dominates, and on relatively short wavelengths such that both time dependent potentials vary on comparable time scales. A strong enhancement of laser-assisted electron transfer is found at collision energies below 1 keV/amu [3]. Its origin and its disappearance at higher energies as well as implications for planned experiments will be discussed
International Nuclear Information System (INIS)
Yonehara, Takehiro; Takatsuka, Kazuo
2009-01-01
We report a theoretical study of non-adiabatic electrons-nuclei coupled dynamics of diborane H 2 BH 2 BH 2 under several types of short pulse lasers. This molecule is known to have particularly interesting geometrical and electronic structures, which originate from the electron-deficient chemical bondings. We revisit the chemical bonding of diborane from the view point of electron wavepacket dynamics coupled with nuclear motions, and attempt to probe the characteristics of it by examining its response to intense laser fields. We study in the following three aspects, (i) bond formation of diborane by collision between two monoboranes, (ii) attosecond electron wavepacket dynamics in the ground state and first excited state by circularly polarized laser pulse, and (iii) induced fragmentation back to monoborane molecules by linearly polarized laser. The wave lengths of two types of laser field employed are 200 nm (in UV range) and 800 nm (in IR range), and we track the dynamics from hundreds of attoseconds up to few tens of femtoseconds. To this end, we apply the ab initio semiclassical Ehrenfest theory, into which the classical vector potential of a laser field is introduced. Basic features of the non-adiabatic response of electrons to the laser fields is elucidated in this scheme. To analyze the electronic wavepackets thus obtained, we figure out bond order density that is a spatial distribution of the bond order and bond order flux density arising only from the bonding regions, and so on. Main findings in this work are: (i) dimerization of monoboranes to diborane is so efficient that even intense laser is hard to prevent it; (ii) collective motions of electron flux emerge in the central BHHB bonding area in response to the circularly polarized laser fields; (iii) laser polarization with the direction of central two BH bonding vector is efficient for the cleavage of BH 3 -BH 3 ; and (iv) nuclear derivative coupling plays a critical role in the field induced
Angular momentum projected semiclassics
International Nuclear Information System (INIS)
Hasse, R.W.
1986-10-01
By using angular momentum projected plane waves as wave functions, we derive semiclassical expressions for the single-particle propagator, the partition function, the nonlocal density matrix, the single-particle density and the one particle- one hole level density for fixed angular momentum and fixed z-component or summed over the z-components. Other quantities can be deduced from the propagator. In coordinate space (r, r') the relevant quantities depend on vertical stroker - r 3 vertical stroke instead of vertical stroker - r'vertical stroke and in Wigner space (R, P) they become proportional to the angular momentum constraints δ(vertical strokeRxPvertical stroke/ℎ - l) and δ((RxP) z /ℎ - m). As applications we calculate the single-particle and one particle- one hole level densities for harmonic oscillator and Hill-Wheeler box potentials and the imaginary part of the optical potential and its volume integral with an underlying harmonic oscillator potential and a zero range two-body interaction. (orig.)
A theory of electron baths: One-electron system dynamics
International Nuclear Information System (INIS)
McDowell, H.K.
1992-01-01
The second-quantized, many-electron, atomic, and molecular Hamiltonian is partitioned both by the identity or labeling of the spin orbitals and by the dynamics of the spin orbitals into a system coupled to a bath. The electron bath is treated by a molecular time scale generalized Langevin equation approach designed to include one-electron dynamics in the system dynamics. The bath is formulated as an equivalent chain of spin orbitals through the introduction of equivalent-chain annihilation and creation operators. Both the dynamics and the quantum grand canonical statistical properties of the electron bath are examined. Two versions for the statistical properties of the bath are pursued. Using a weak bath assumption, a bath statistical average is defined which allows one to achieve a reduced dynamics description of the electron system which is coupled to the electron bath. In a strong bath assumption effective Hamiltonians are obtained which reproduce the dynamics of the bath and which lead to the same results as found in the weak bath assumption. The effective (but exact) Hamiltonian is found to be a one-electron Hamiltonian. A reduced dynamics equation of motion for the system population matrix is derived and found to agree with a previous version. This equation of motion is useful for studying electron transfer in the system when coupled to an electron bath
Semiclassical statistical mechanics
International Nuclear Information System (INIS)
Stratt, R.M.
1979-04-01
On the basis of an approach devised by Miller, a formalism is developed which allows the nonperturbative incorporation of quantum effects into equilibrium classical statistical mechanics. The resulting expressions bear a close similarity to classical phase space integrals and, therefore, are easily molded into forms suitable for examining a wide variety of problems. As a demonstration of this, three such problems are briefly considered: the simple harmonic oscillator, the vibrational state distribution of HCl, and the density-independent radial distribution function of He 4 . A more detailed study is then made of two more general applications involving the statistical mechanics of nonanalytic potentials and of fluids. The former, which is a particularly difficult problem for perturbative schemes, is treated with only limited success by restricting phase space and by adding an effective potential. The problem of fluids, however, is readily found to yield to a semiclassical pairwise interaction approximation, which in turn permits any classical many-body model to be expressed in a convenient form. The remainder of the discussion concentrates on some ramifications of having a phase space version of quantum mechanics. To test the breadth of the formulation, the task of constructing quantal ensemble averages of phase space functions is undertaken, and in the process several limitations of the formalism are revealed. A rather different approach is also pursued. The concept of quantum mechanical ergodicity is examined through the use of numerically evaluated eigenstates of the Barbanis potential, and the existence of this quantal ergodicity - normally associated with classical phase space - is verified. 21 figures, 4 tables
Semiclassical analysis spectral correlations in mesoscopic systems
International Nuclear Information System (INIS)
Argaman, N.; Imry, Y.; Smilansky, U.
1991-07-01
We consider the recently developed semiclassical analysis of the quantum mechanical spectral form factor, which may be expressed in terms of classically defiable properties. When applied to electrons whose classical behaviour is diffusive, the results of earlier quantum mechanical perturbative derivations, which were developed under a different set of assumptions, are reproduced. The comparison between the two derivations shows that the results depends not on their specific details, but to a large extent on the principle of quantum coherent superposition, and on the generality of the notion of diffusion. The connection with classical properties facilitates application to many physical situations. (author)
Quantum tunneling beyond semiclassical approximation
International Nuclear Information System (INIS)
Banerjee, Rabin; Majhi, Bibhas Ranjan
2008-01-01
Hawking radiation as tunneling by Hamilton-Jacobi method beyond semiclassical approximation is analysed. We compute all quantum corrections in the single particle action revealing that these are proportional to the usual semiclassical contribution. We show that a simple choice of the proportionality constants reproduces the one loop back reaction effect in the spacetime, found by conformal field theory methods, which modifies the Hawking temperature of the black hole. Using the law of black hole mechanics we give the corrections to the Bekenstein-Hawking area law following from the modified Hawking temperature. Some examples are explicitly worked out.
Semiclassical theory of plate vibrations
International Nuclear Information System (INIS)
Bogomolny, E.; Hugues, E.
1996-11-01
The bi-harmonic equation of flexural vibrations of elastic plates is studied by a semiclassical method which can easily be generalized for other models of wave propagation. The surface and perimeter terms of the asymptotic number of levels are derived exactly. The next constant term is also derived. A semiclassical approximation of the quantization condition is obtained. A Berry-Tabor formula and a Gutzwiller trace formula are deduced for the integrable and chaotic cases respectively. From 600 eigenvalues of a clamped stadium plate obtained by a specially developed numerical algorithm, the trace formula is assessed, looking at its Fourier transform compared with the membrane case. (author)
Energy Technology Data Exchange (ETDEWEB)
Martínez-Mesa, Aliezer [Departmento de Física Teórica, Universidad de la Habana, San Lázaro y L, La Habana 10400 (Cuba); Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, D-14476 Potsdam-Golm (Germany); Saalfrank, Peter [Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, D-14476 Potsdam-Golm (Germany)
2015-05-21
Femtosecond-laser pulse driven non-adiabatic spectroscopy and dynamics in molecular and condensed phase systems continue to be a challenge for theoretical modelling. One of the main obstacles is the “curse of dimensionality” encountered in non-adiabatic, exact wavepacket propagation. A possible route towards treating complex molecular systems is via semiclassical surface-hopping schemes, in particular if they account not only for non-adiabatic post-excitation dynamics but also for the initial optical excitation. One such approach, based on initial condition filtering, will be put forward in what follows. As a simple test case which can be compared with exact wavepacket dynamics, we investigate the influence of the different parameters determining the shape of a laser pulse (e.g., its finite width and a possible chirp) on the predissociation dynamics of a NaI molecule, upon photoexcitation of the A(0{sup +}) state. The finite-pulse effects are mapped into the initial conditions for semiclassical surface-hopping simulations. The simulated surface-hopping diabatic populations are in qualitative agreement with the quantum mechanical results, especially concerning the subpicosend photoinduced dynamics, the main deviations being the relative delay of the non-adiabatic transitions in the semiclassical picture. Likewise, these differences in the time-dependent electronic populations calculated via the semiclassical and the quantum methods are found to have a mild influence on the overall probability density distribution. As a result, the branching ratios between the bound and the dissociative reaction channels and the time-evolution of the molecular wavepacket predicted by the semiclassical method agree with those computed using quantum wavepacket propagation. Implications for more challenging molecular systems are given.
Semiclassical calculation of ionisation rate for Rydberg helium atoms in an electric field
International Nuclear Information System (INIS)
Wang De-Hua
2011-01-01
The ionisation of Rydberg helium atoms in an electric field above the classical ionisation threshold has been examined using the semiclassical method, with particular emphasis on discussing the influence of the core scattering on the escape dynamics of electrons. The results show that the Rydberg helium atoms ionise by emitting a train of electron pulses. Unlike the case of the ionisation of Rydberg hydrogen atom in parallel electric and magnetic fields, where the pulses of the electron are caused by the external magnetic field, the pulse trains for Rydberg helium atoms are created through core scattering. Each peak in the ionisation rate corresponds to the contribution of one core-scattered combination trajectory. This fact further illustrates that the ionic core scattering leads to the chaotic property of the Rydberg helium atom in external fields. Our studies provide a simple explanation for the escape dynamics in the ionisation of nonhydrogenic atoms in external fields. (atomic and molecular physics)
Semiclassical geometry of integrable systems
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.
Semi-classical signal analysis
Laleg-Kirati, Taous-Meriem; Cré peau, Emmanuelle; Sorine, Michel
2012-01-01
This study introduces a new signal analysis method, based on a semi-classical approach. The main idea in this method is to interpret a pulse-shaped signal as a potential of a Schrödinger operator and then to use the discrete spectrum
Semiclassical analysis of quasiexact solvability
International Nuclear Information System (INIS)
Bender, C.M.; Dunne, G.V.; Moshe, M.
1997-01-01
Higher-order WKB methods are used to investigate the border between the solvable and insolvable portions of the spectrum of quasiexactly solvable quantum-mechanical potentials. The analysis reveals scaling and factorization properties that are central to quasiexact solvability. These two properties define a new class of semiclassically quasiexactly solvable potentials. copyright 1997 The American Physical Society
Nonadiabatic electron wavepacket dynamics behind molecular autoionization
Matsuoka, Takahide; Takatsuka, Kazuo
2018-01-01
A theoretical method for real-time dynamics of nonadiabatic reorganization of electronic configurations in molecules is developed, with dual aim that the intramolecular electron dynamics can be probed by means of direct and/or indirect photoionizations and that the physical origins behind photoionization signals attained in the time domain can be identified in terms of the language of time-dependent quantum chemistry. In doing so, we first formulate and implement a new computational scheme for nonadiabatic electron dynamics associated with molecular ionization, which well fits in the general theory of nonadiabatic electron dynamics. In this method, the total nonadiabatic electron wavepackets are propagated in time directly with complex natural orbitals without referring to Hartree-Fock molecular orbitals, and the amount of electron flux from a molecular region leading to ionization is evaluated in terms of the relevant complex natural orbitals. In the second half of this paper, we apply the method to electron dynamics in the elementary processes consisting of the Auger decay to demonstrate the methodological significance. An illustrative example is taken from an Auger decay starting from the 2a1 orbital hole-state of H2O+. The roles of nuclear momentum (kinetic) couplings in electronic-state mixing during the decay process are analyzed in terms of complex natural orbitals, which are schematically represented in the conventional language of molecular symmetry of the Hartree-Fock orbitals.
NLC electron injector beam dynamics
International Nuclear Information System (INIS)
Yeremian, A.D.; Miller, R.H.
1995-10-01
The Next Linear Collider (NLC) being designed at SLAC requires a train of 90 electron bunches 1.4 ns apart at 120 Hz. The intensity and emittance required at the interaction point, and the various machine systems between the injector and the IP determine the beam requirements from the injector. The style of injector chosen for the NLC is driven by the fact that the production of polarized electrons at the IP is a must. Based on the successful operation of the SLC polarized electron source a similar type of injector with a DC gun and subharmonic bunching system is chosen for the NLC
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.
Semiclassical analysis of quantum localization of the periodically kicked Rydberg atom
International Nuclear Information System (INIS)
Yoshida, S.; Persson, E.; Burgdoerfer, J.; Grossmann, F.
2004-01-01
The periodically kicked Rydberg atom displays quantum localization, features of which depend on the orientation and strength of the unidirectional kicks. They include scarring of the wave function, localization by cantori, and exponential localization in the regime of strong perturbation resembling dynamical localization. Using the semiclassical Herman-Kluk propagator we investigate the degree to which semiclassical dynamics can mimic quantum localization. While the semiclassical approximation has difficulties to reproduce the scarred wave functions, the exponential tail which is a typical signature of the dynamical localization is well represented in the case of strong classical diffusion. Also the localization by broken tori is observed in the semiclassical recurrence probability for short times but the deviation from the corresponding quantum dynamics becomes more pronounced for the long-time evolution
Dynamism in Electronic Performance Support Systems.
Laffey, James
1995-01-01
Describes a model for dynamic electronic performance support systems based on NNAble, a system developed by the training group at Apple Computer. Principles for designing dynamic performance support are discussed, including a systems approach, performer-centered design, awareness of situated cognition, organizational memory, and technology use.…
Relaxation dynamics following transition of solvated electrons
International Nuclear Information System (INIS)
Barnett, R.B.; Landman, U.; Nitzan, A.
1989-01-01
Relaxation dynamics following an electronic transition of an excess solvated electron in clusters and in bulk water is studied using an adiabatic simulation method. In this method the solvent evolves classically and the electron is constrained to a specified state. The coupling between the solvent and the excess electron is evaluated via the quantum expectation value of the electron--water molecule interaction potential. The relaxation following excitation (or deexcitation) is characterized by two time scales: (i) a very fast (/similar to/20--30 fs) one associated with molecular rotations in the first solvation shell about the electron, and (ii) a slower stage (/similar to/200 fs), which is of the order of the longitudinal dielectric relaxation time. The fast relaxation stage exhibits an isotope effect. The spectroscopical consequences of the relaxation dynamics are discussed
Beam Dynamics With Electron Cooling
Uesugi, T; Noda, K; Shibuya, S; Syresin, E M
2004-01-01
Electron cooling experiments have been carried out at HIMAC in order to develop new technologies in heavy-ion therapy and related researches. The cool-stacking method, in particular, has been studied to increase the intensity of heavy-ions. The maximum stack intensity was 2 mA, above which a fast ion losses occurred simulatneously with the vertical coherent oscillations. The instability depends on the working point, the stacked ion-density and the electron-beam density. The instability was suppressed by reducing the peak ion-density with RF-knockout heating.
Dynamic aspects of electronic predissociation
DEFF Research Database (Denmark)
Grønager, Michael; Henriksen, Niels Engholm
1996-01-01
We consider electronic excitation induced with a continuous wave laser to an excited bound state which can predissociate due to a radiationless transition to a dissociative state. The conditions for a separation of the process into the preparation of a vibrational eigenstate which subsequently...
Semi-classical signal analysis
Laleg-Kirati, Taous-Meriem
2012-09-30
This study introduces a new signal analysis method, based on a semi-classical approach. The main idea in this method is to interpret a pulse-shaped signal as a potential of a Schrödinger operator and then to use the discrete spectrum of this operator for the analysis of the signal. We present some numerical examples and the first results obtained with this method on the analysis of arterial blood pressure waveforms. © 2012 Springer-Verlag London Limited.
Qutrit squeezing via semiclassical evolution
International Nuclear Information System (INIS)
Klimov, Andrei B; Dinani, Hossein Tavakoli; Medendorp, Zachari E D; Guise, Hubert de
2011-01-01
We introduce a concept of squeezing in collective qutrit systems through a geometrical picture connected to the deformation of the isotropic fluctuations of su(3) operators when evaluated in a coherent state. This kind of squeezing can be generated by Hamiltonians nonlinear in the generators of su(3) algebra. A simplest model of such a nonlinear evolution is analyzed in terms of semiclassical evolution of the SU(3) Wigner function. (paper)
Semiclassical mechanics with molecular applications
Child, M S
2014-01-01
Semiclassical mechanics, which stems from the old quantum theory, has seen a remarkable revival in recent years as a physically intuitive and computationally accurate scheme for the interpretation of modern experiments. The main text concentrates less on the mathematical foundations than on the global influence of the classical phase space structures on the quantum mechanical observables. Further mathematical detail is contained in the appendices. Worked problem sets are included as an aid to the student.
Semiclassical propagation of Wigner functions.
Dittrich, T; Gómez, E A; Pachón, L A
2010-06-07
We present a comprehensive study of semiclassical phase-space propagation in the Wigner representation, emphasizing numerical applications, in particular as an initial-value representation. Two semiclassical approximation schemes are discussed. The propagator of the Wigner function based on van Vleck's approximation replaces the Liouville propagator by a quantum spot with an oscillatory pattern reflecting the interference between pairs of classical trajectories. Employing phase-space path integration instead, caustics in the quantum spot are resolved in terms of Airy functions. We apply both to two benchmark models of nonlinear molecular potentials, the Morse oscillator and the quartic double well, to test them in standard tasks such as computing autocorrelation functions and propagating coherent states. The performance of semiclassical Wigner propagation is very good even in the presence of marked quantum effects, e.g., in coherent tunneling and in propagating Schrodinger cat states, and of classical chaos in four-dimensional phase space. We suggest options for an effective numerical implementation of our method and for integrating it in Monte-Carlo-Metropolis algorithms suitable for high-dimensional systems.
Semiclassical approach to mesoscopic systems classical trajectory correlations and wave interference
Waltner, Daniel
2012-01-01
This volume describes mesoscopic systems with classically chaotic dynamics using semiclassical methods which combine elements of classical dynamics and quantum interference effects. Experiments and numerical studies show that Random Matrix Theory (RMT) explains physical properties of these systems well. This was conjectured more than 25 years ago by Bohigas, Giannoni and Schmit for the spectral properties. Since then, it has been a challenge to understand this connection analytically. The author offers his readers a clearly-written and up-to-date treatment of the topics covered. He extends previous semiclassical approaches that treated spectral and conductance properties. He shows that RMT results can in general only be obtained semiclassically when taking into account classical configurations not considered previously, for example those containing multiply traversed periodic orbits. Furthermore, semiclassics is capable of describing effects beyond RMT. In this context he studies the effect of a non-zero Eh...
Time ordering in multi-electron dynamics
International Nuclear Information System (INIS)
McGuire, J H; Godunov, A L; Shakov, Kh Kh; Shipakov, V A; Merabet, H; Bruch, R; Hanni, J
2003-01-01
Time ordering of interactions in dynamic quantum multi-electron systems provides a constraint that interconnects the time evolution of different electrons. In energy space, time ordering appears as the principal value contribution from the Green function, which corresponds to the asymptotic condition that specifies whether the system has outgoing (or possibly incoming) scattered waves. We report evidence of effects of time correlation found by comparing calculations to recent spectropolarimetric data
Time ordering in multi-electron dynamics
Energy Technology Data Exchange (ETDEWEB)
McGuire, J H [Department of Physics, Tulane University, New Orleans, LA (United States); Godunov, A L [Department of Physics, Tulane University, New Orleans, LA (United States); Shakov, Kh Kh [Department of Physics, Tulane University, New Orleans, LA (United States); Shipakov, V A [Troitsk Institute for Innovation and Fusion Research, Troitsk (Russian Federation); Merabet, H [Department of Physics, University of Nevada Reno, Reno, NV (United States); Bruch, R [Department of Physics, University of Nevada Reno, Reno, NV (United States); Hanni, J [Department of Physics, University of Nevada Reno, Reno, NV (United States)
2003-01-28
Time ordering of interactions in dynamic quantum multi-electron systems provides a constraint that interconnects the time evolution of different electrons. In energy space, time ordering appears as the principal value contribution from the Green function, which corresponds to the asymptotic condition that specifies whether the system has outgoing (or possibly incoming) scattered waves. We report evidence of effects of time correlation found by comparing calculations to recent spectropolarimetric data.
Semiclassical instability of warp drives
Energy Technology Data Exchange (ETDEWEB)
Barcelo, C [Instituto de Astrofisica de Andalucia, IAA-CSIC, Glorieta de la Astronomia s/n, 18008 Granada (Spain); Finazzi, S; Liberati, S, E-mail: carlos@iaa.e, E-mail: finazzi@sissa.i, E-mail: liberati@sissa.i
2010-05-01
Warp drives, at least theoretically, provide a way to travel at superluminal speeds. However, even if one succeeded in providing the necessary exotic matter to construct them, it would still be necessary to check whether they would survive to the switching on of quantum effects. In this contribution we will report on the behaviour of the Renormalized Stress-Energy Tensor (RSET) in the spacetimes associated with superluminal warp drives. We find that the RSET will exponentially grow in time close to the front wall of the superluminal bubble, hence strongly supporting the conclusion that the warp-drive geometries are unstable against semiclassical back-reaction.
Quantization ambiguity, ergodicity and semiclassics
International Nuclear Information System (INIS)
Kaplan, Lev
2002-01-01
It is well known that almost all eigenstates of a classically ergodic system are individually ergodic on coarse-grained scales. This has important implications for the quantization ambiguity in ergodic systems: the difference between alternative quantizations is suppressed compared with the O( h-bar 2 ) ambiguity in the integrable or regular case. For two-dimensional ergodic systems in the high-energy regime, individual eigenstates are independent of the choice of quantization procedure, in contrast with the regular case, where even the ordering of eigenlevels is ambiguous. Surprisingly, semiclassical methods are shown to be much more precise in any dimension for chaotic than for integrable systems
Semiclassical scalar propagators in curved backgrounds: Formalism and ambiguities
International Nuclear Information System (INIS)
Grain, J.; Barrau, A.
2007-01-01
The phenomenology of quantum systems in curved space-times is among the most fascinating fields of physics, allowing--often at the gedankenexperiment level--constraints on tentative theories of quantum gravity. Determining the dynamics of fields in curved backgrounds remains, however, a complicated task because of the highly intricate partial differential equations involved, especially when the space metric exhibits no symmetry. In this article, we provide--in a pedagogical way--a general formalism to determine this dynamics at the semiclassical order. To this purpose, a generic expression for the semiclassical propagator is computed and the equation of motion for the probability four-current is derived. Those results underline a direct analogy between the computation of the propagator in general relativistic quantum mechanics and the computation of the propagator for stationary systems in nonrelativistic quantum mechanics. A possible application of this formalism to curvature-induced quantum interferences is also discussed
Semiclassical Path Integral Calculation of Nonlinear Optical Spectroscopy.
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.
Ab Initio molecular dynamics with excited electrons
Alavi, A.; Kohanoff, J.; Parrinello, M.; Frenkel, D.
1994-01-01
A method to do ab initio molecular dynamics suitable for metallic and electronically hot systems is described. It is based on a density functional which is costationary with the finite-temperature functional of Mermin, with state being included with possibly fractional occupation numbers.
Cyclotron Resonances in Electron Cloud Dynamics
International Nuclear Information System (INIS)
Celata, C.M.; Furman, M.A.; Vay, J.L.; Grote, D.P.; Ng, J.T.; Pivi, M.F.; Wang, L.F.
2009-01-01
A new set of resonances for electron cloud dynamics in the presence of a magnetic field has been found. For short beam bunch lengths and low magnetic fields where l b c , (l b = bunch duration, ω c = non-relativistic cyclotron frequency) resonances between the bunch frequency and harmonics of the cyclotron frequency cause an increase in the electron cloud density in narrow ranges of magnetic field near the resonances. For ILC parameters the increase in the density is up to a factor ∼ 3, and the spatial distribution of the electrons is broader near resonances, lacking the well-defined density 'stripes' of multipactoring found for non-resonant cases. Simulations with the 2D computer code POSINST, as well as a single-particle tracking code, were used to elucidate the physics of the dynamics. The resonances are expected to affect the electron cloud dynamics in the fringe fields of conventional lattice magnets and in wigglers, where the magnetic fields are low. Results of the simulations, the reason for the bunch-length dependence, and details of the dynamics will be discussed
Electron-nuclear dynamics of molecular systems
International Nuclear Information System (INIS)
Diz, A.; Oehrn, Y.
1994-01-01
The content of an ab initio time-dependent theory of quantum molecular dynamics of electrons and atomic nuclei is presented. Employing the time-dependent variational principle and a family of approximate state vectors yields a set of dynamical equations approximating the time-dependent Schroedinger equation. These equations govern the time evolution of the relevant state vector parameters as molecular orbital coefficients, nuclear positions, and momenta. This approach does not impose the Born-Oppenheimer approximation, does not use potential energy surfaces, and takes into account electron-nuclear coupling. Basic conservation laws are fully obeyed. The simplest model of the theory employs a single determinantal state for the electrons and classical nuclei and is implemented in the computer code ENDyne. Results from this ab-initio theory are reported for ion-atom and ion-molecule collisions
International Nuclear Information System (INIS)
Amundsen, P.A.
1978-08-01
Several investigations have been made on K and L shell ionization of the heavy collision partner in slow asymmetric collisions based on the SCA. The use of the SCA can only be defended for slow collisions if the projectile has a charge much less than the target. Thus this approximation should first be tested for proton impact on very heavy target elements. For these elements the inner shell electrons move sufficiently fast for a relativistic description to be mandatory. These relativistic effects are in themselves of some interest, as they can be quite large. After discussion of the formulation of the SCA used throughout this work, a further introduction is given on relativistic effects in Coulomb ionisation. Two papers on electronic relativistic effects in K and L shell ionization follow. The next two papers discuss calculations with an exact Coulomb projectile path. The latter of these also touches upon the inclusion of corrections to the SCA from terms beyond first order perturbation theory. In the last paper of this thesis it is shown how the theoretical apparatus developed for the SCA- calculations can immediately be used also for making calculations of more symmetric systems with the Briggs model. Thus, at least for direct ionization in very slow collisions a unification of the SA and MO approaches has apparently been reached. (JIW)
Energy Technology Data Exchange (ETDEWEB)
Minoshima, Yusuke; Seki, Yusuke [Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan); Takayanagi, Toshiyuki, E-mail: tako@mail.saitama-u.ac.jp [Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan); Shiga, Motoyuki [Center for Computational Science and E-Systems, Japan Atomic Energy Agency, 148-4, Kashiwanoha Campus, 178-4 Wakashiba, Kashiwa, Chiba 277-0871 (Japan)
2016-06-15
Highlights: • Dynamics of excess electron attachment to guanine–cytosine base pair. • Ring-polymer and classical molecular dynamics simulations are performed. • Temperature and isotope substitution effects are investigated. - Abstract: The dynamical process of electron attachment to a guanine–cytosine pair in the normal (h-GC) and deuterated (d-GC) forms has been studied theoretically by semiclassical ring-polymer molecular dynamics (RPMD) simulations using the empirical valence bond model. The initially formed dipole-bound anion is converted rapidly to the valence-bound anion within about 0.1 ps in both h-GC and d-GC. However, the subsequent proton transfer in h-GC occurs with a rate five times greater than the deuteron transfer in d-GC. The change of rates with isotopic substitution and temperature variation in the RPMD simulations are quantitatively and qualitatively different from those in the classical molecular dynamics (MD) simulations, demonstrating the importance of nuclear quantum effects on the dynamics of this system.
International Nuclear Information System (INIS)
Minoshima, Yusuke; Seki, Yusuke; Takayanagi, Toshiyuki; Shiga, Motoyuki
2016-01-01
Highlights: • Dynamics of excess electron attachment to guanine–cytosine base pair. • Ring-polymer and classical molecular dynamics simulations are performed. • Temperature and isotope substitution effects are investigated. - Abstract: The dynamical process of electron attachment to a guanine–cytosine pair in the normal (h-GC) and deuterated (d-GC) forms has been studied theoretically by semiclassical ring-polymer molecular dynamics (RPMD) simulations using the empirical valence bond model. The initially formed dipole-bound anion is converted rapidly to the valence-bound anion within about 0.1 ps in both h-GC and d-GC. However, the subsequent proton transfer in h-GC occurs with a rate five times greater than the deuteron transfer in d-GC. The change of rates with isotopic substitution and temperature variation in the RPMD simulations are quantitatively and qualitatively different from those in the classical molecular dynamics (MD) simulations, demonstrating the importance of nuclear quantum effects on the dynamics of this system.
Electronic excited states and relaxation dynamics in polymer heterojunction systems
Ramon, John Glenn Santos
The potential for using conducting polymers as the active material in optoelectronic devices has come to fruition in the past few years. Understanding the fundamental photophysics behind their operations points to the significant role played by the polymer interface in their performance. Current device architectures involve the use of bulk heterojunctions which intimately blend the donor and acceptor polymers to significantly increase not only their interfacial surface area but also the probability of exciton formation within the vicinity of the interface. In this dissertation, we detail the role played by the interface on the behavior and performance of bulk heterojunction systems. First, we explore the relation between the exciton binding energy to the band offset in determining device characteristics. As a general rule, when the exciton binding energy is greater than the band offset, the exciton remains the lowest energy excited state leading to efficient light-emitting properties. On the other hand, if the offset is greater than the binding energy, charge separation becomes favorable leading to better photovoltaic behavior. Here, we use a Wannier function, configuration interaction based approach to examine the essential excited states and predict the vibronic absorption and emission spectra of the PPV/BBL, TFB/F8BT and PFB/F8BT heterojunctions. Our results underscore the role of vibrational relaxation in the formation of charge-transfer states following photoexcitation. In addition, we look at the relaxation dynamics that occur upon photoexcitation. For this, we adopt the Marcus-Hush semiclassical method to account for lattice reorganization in the calculation of the interconversion rates in TFB/F8BT and PFB/F8BT. We find that, while a tightly bound charge-transfer state (exciplex) remains the lowest excited state, a regeneration pathway to the optically active lowest excitonic state in TFB/F8BT is possible via thermal repopulation from the exciplex. Finally
Directory of Open Access Journals (Sweden)
Héctor Torres-Silva
2008-11-01
Full Text Available The quantum relationship may be regarded as the equivalence between two expressions for the rest energy of the particle, if is considered as the spin angular velocity of the particle in its rest frame. The invariance of the relativistic space-time interval to such a spin motion (space isotropy leads to the spin momentum for all structureless particles irrespective of their mass values. The inertia is an intrinsic property due to the spin motion of the particles. The signs of the mass values occurring in the solutions of the Dirac equation might be related to the orientation of the spin motion, as suggested by the fundamental relationship . Besides it deals with the electron, and more specifically with two key properties: its complex wavefunction, and its intrinsic spin. In the standard interpretation, there is no clear real-space picture of what is oscillating in the wave, or what is rotating in the spin. Indeed, it is generally believed that no simple model of rotation can account for the spin of the electron. On the contrary, the present paper shows that a crude mechanical model of coherently rotating vortices can account quantitatively not only for spin, but also for the wavefunction itself. The implications of this are discussed in this paper.La relación cuántica puede ser considerada como la equivalencia entre dos expresiones para la energía en reposo de la partícula, si se considera la velocidad angular de giro de partículas en su marco en reposo. La invariancia del intervalo relativista espacio- tiempo para tal movimiento de espín (isotropía espacial conduce al impulso de espín para todas las partículas sin estructura, independientemente de sus valores de masa. La inercia es una propiedad intrínseca debido al movimiento de spin de las partículas. Los signos de los valores de masa que se producen en las soluciones de la ecuación de Dirac podrían estar relacionados con la orientación del espín, según lo sugerido por la
A semi-classical analysis of Dirac fermions in 2+1 dimensions
International Nuclear Information System (INIS)
Maiti, Moitri; Shankar, R
2012-01-01
We investigate the semi-classical dynamics of massless Dirac fermions in 2+1 dimensions in the presence of external electromagnetic fields. By generalizing the α matrices by two generators of the SU(2) group in the (2S + 1)-dimensional representation and doing a certain scaling, we formulate an S → ∞ limit where the orbital and the spinor degrees become classical. We solve for the classical trajectories for a free particle on a cylinder and a particle in a constant magnetic field. We compare the semi-classical spectrum, obtained by Bohr–Sommerfeld quantization with the exact quantum spectrum for low values of S. For the free particle, the semi-classical spectrum is exact. For the particle in a constant magnetic field, the semi-classical spectrum reproduces all the qualitative features of the exact quantum spectrum at all S. The quantitative fit for S = 1/2 is reasonably good. (paper)
Semiclassical regularization of Vlasov equations and wavepackets for nonlinear Schrödinger equations
Athanassoulis, Agissilaos
2018-03-01
We consider the semiclassical limit of nonlinear Schrödinger equations with initial data that are well localized in both position and momentum (non-parametric wavepackets). We recover the Wigner measure (WM) of the problem, a macroscopic phase-space density which controls the propagation of the physical observables such as mass, energy and momentum. WMs have been used to create effective models for wave propagation in: random media, quantum molecular dynamics, mean field limits, and the propagation of electrons in graphene. In nonlinear settings, the Vlasov-type equations obtained for the WM are often ill-posed on the physically interesting spaces of initial data. In this paper we are able to select the measure-valued solution of the 1 + 1 dimensional Vlasov-Poisson equation which correctly captures the semiclassical limit, thus finally resolving the non-uniqueness in the seminal result of Zhang et al (2012 Comm. Pure Appl. Math. 55 582-632). The same approach is also applied to the Vlasov-Dirac-Benney equation with small wavepacket initial data, extending several known results.
Ultrafast Electron Dynamics in Solar Energy Conversion.
Ponseca, Carlito S; Chábera, Pavel; Uhlig, Jens; Persson, Petter; Sundström, Villy
2017-08-23
Electrons are the workhorses of solar energy conversion. Conversion of the energy of light to electricity in photovoltaics, or to energy-rich molecules (solar fuel) through photocatalytic processes, invariably starts with photoinduced generation of energy-rich electrons. The harvesting of these electrons in practical devices rests on a series of electron transfer processes whose dynamics and efficiencies determine the function of materials and devices. To capture the energy of a photogenerated electron-hole pair in a solar cell material, charges of opposite sign have to be separated against electrostatic attractions, prevented from recombining and being transported through the active material to electrodes where they can be extracted. In photocatalytic solar fuel production, these electron processes are coupled to chemical reactions leading to storage of the energy of light in chemical bonds. With the focus on the ultrafast time scale, we here discuss the light-induced electron processes underlying the function of several molecular and hybrid materials currently under development for solar energy applications in dye or quantum dot-sensitized solar cells, polymer-fullerene polymer solar cells, organometal halide perovskite solar cells, and finally some photocatalytic systems.
Structural dynamics of electronic and photonic systems
Suhir, Ephraim; Steinberg, David S
2011-01-01
The proposed book will offer comprehensive and versatile methodologies and recommendations on how to determine dynamic characteristics of typical micro- and opto-electronic structural elements (printed circuit boards, solder joints, heavy devices, etc.) and how to design a viable and reliable structure that would be able to withstand high-level dynamic loading. Particular attention will be given to portable devices and systems designed for operation in harsh environments (such as automotive, aerospace, military, etc.) In-depth discussion from a mechanical engineer's viewpoint will be conducte
Electron dynamics inside short-coherence systems
International Nuclear Information System (INIS)
Ferrari, Giulio; Bordone, Paolo; Jacoboni, Carlo
2006-01-01
We present theoretical results on electron dynamics inside nanometric systems, where the coherence of the electron ensemble is maintained in a very short region. The contacts are supposed to spoil such a coherence, therefore the interference processes between the carrier wavefunction and the internal potential profile can be affected by the proximity of the contacts. The problem has been analysed by using the Wigner-function formalism. For very short devices, transport properties, such as tunnelling through potential barriers, are significantly influenced by the distance between the contacts
A semiclassical treatment of correlation energy for nuclear systems
International Nuclear Information System (INIS)
Nielsen, M.
1988-01-01
Starting with the separation of the many-body density operator in two parts, one describing the one-body aspects of the full density and the other containing all dynamic correlations information, the semiclassical approximation for the system correlation energy, was calculated. It is showm that, in this case, the Gaussian Wave Packets Phase Space Representation is more convenient than the Wely-Wigner Rrepresentation for the analysis of the semiclassical correlation energy. Using a phenomenological interaction, the correlation energy to the nuclear matter and some simmetric finite nucleus was calculated. The Fermi Surface Diffusivity, was also calculated. Finally, from the relation between this theory and the pertubation theory, we have done some considerations about the viability on the local densities expansion for energy functionals. (author) [pt
Quantum effects in biological electron transfer
Czech Academy of Sciences Publication Activity Database
de la Lande, A.; Babcock, N. S.; Řezáč, Jan; Levy, B.; Sanders, B. C.; Salahub, D.
2012-01-01
Roč. 14, č. 17 (2012), s. 5902-5918 ISSN 1463-9076 Institutional research plan: CEZ:AV0Z40550506 Keywords : electron transfer * tunnelling * decoherence * semi-classical molecular dynamics * density functional theory Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.829, year: 2012
Electron beam dynamics in Pasotron microwave sources
International Nuclear Information System (INIS)
Carmel, Y.; Shkvarunets, A.; Nusinovich, G.S.; Rodgers, J.; Bliokh, Yu.P.; Goebel, D.M.
2003-01-01
The Pasotron is a high efficiency (∼50%), plasma-assisted microwave generator in which the beam electrons exhibit two-dimensional motion in the slow wave structure. The electron beam propagates in the ion-focusing regime (Bennett pinch regime) because there is no applied magnetic field. Since initially only the neutral gas is present in the vacuum system and the ions in the neutralizing plasma channel are produced only due to the beam impact ionization, the beam dynamics in Pasotrons is inherently a nonstationary process, and important for efficient operation. The present paper contains results of experimental studies of stationary and nonstationary effects in the beam dynamics in Pasotrons and their theoretical interpretation
Semiclassical delta self-energy
International Nuclear Information System (INIS)
Voutier, E.
1992-01-01
We present a semiclassical approach in the Δ self-energy. We show that the in-medium corrections of the Δ width issued from the Pauli blocking and the coupling to the 2N-1h continuum are in good agreement with the previous approaches and particularly with the quantum Δ-h model even for light nuclei. We separate out the different sources of the imaginary part of the self-energy. The predominant corrections come from two antagonistic origins: The Pauli blocking and the contribution to the two-nucleon emission channel, the latter being model dependent. We further show that the non-diagonal spin matrix elements of the self-energy, generated by its tensor component, are mostly due to the Pauli blocking. (orig.)
Semiclassical methods in field theories
International Nuclear Information System (INIS)
Ventura, I.
1978-10-01
A new scheme is proposed for semi-classical quantization in field theory - the expansion about the charge (EAC) - which is developed within the canonical formalism. This method is suitable for quantizing theories that are invariant under global gauge transformations. It is used in the treatment of the non relativistic logarithmic theory that was proposed by Bialynicki-Birula and Mycielski - a theory we can formulate in any number of spatial dimensions. The non linear Schroedinger equation is also quantized by means of the EAC. The classical logarithmic theories - both, the non relativistic and the relativistic one - are studied in detail. It is shown that the Bohr-Sommerfeld quantization rule(BSQR) in field theory is, in many cases, equivalent to charge quantization. This rule is then applied to the massive Thirring Model and the logarithmic theories. The BSQR can be see as a simplified and non local version of the EAC [pt
Dynamics in electron transfer protein complexes
Bashir, Qamar
2010-01-01
Recent studies have provided experimental evidence for the existence of an encounter complex, a transient intermediate in the formation of protein complexes. We have used paramagnetic relaxation enhancement NMR spectroscopy in combination with Monte Carlo simulations to characterize and visualize the ensemble of encounter orientations in the short-lived electron transfer complex of yeast Cc and CcP. The complete conformational space sampled by the protein molecules during the dynamic part of ...
International Nuclear Information System (INIS)
Smith, Kyle K. G.; Rossky, Peter J.; Poulsen, Jens Aage; Cunsolo, A.
2014-01-01
The dynamic structure factor of liquid para-hydrogen and ortho-deuterium in corresponding thermodynamic states (T = 20.0 K, n = 21.24 nm −3 ) and (T = 23.0 K, n = 24.61 nm −3 ), respectively, has been computed by both the Feynman-Kleinert linearized path-integral (FK-LPI) and Ring-Polymer Molecular Dynamics (RPMD) methods and compared with Inelastic X Ray Scattering spectra. The combined use of computational and experimental methods enabled us to reduce experimental uncertainties in the determination of the true sample spectrum. Furthermore, the refined experimental spectrum of para-hydrogen and ortho-deuterium is consistently reproduced by both FK-LPI and RPMD results at momentum transfers lower than 12.8 nm −1 . At larger momentum transfers the FK-LPI results agree with experiment much better for ortho-deuterium than for para-hydrogen. More specifically we found that for k ∼ 20.0 nm −1 para-hydrogen provides a test case for improved approximations to quantum dynamics
On the semiclassical description of rotating nuclei
International Nuclear Information System (INIS)
Durand, M.; Kunz, J.; Schuck, P.
1983-01-01
The technique of partial h-resummation is used to obtain semiclassical, i.e. average current distributions in the body fixed system of heavy nuclei. It thereby turns out that this average intrinsic current only flows in the nuclear surface. A Strutinsky smoothing of the current is also performed and gives nice agreement with the semiclassical results. We also show how one can incorporate superfluidity into the semiclassical treatment. To lowest order in h we find that the moment of inertia of superfluid nuclei is zero. The same result is obtained by a quantum mechanical calculation if the gap goes to infinity. The importance of including n-corrections is pointed out
Kinetic theory for electron dynamics near a positive ion
International Nuclear Information System (INIS)
Wrighton, Jeffrey M; Dufty, James W
2008-01-01
A theoretical description of time correlation functions for electron properties in the presence of a positive ion of charge number Z is given. The simplest case of an electron gas distorted by a single ion is considered. A semi-classical representation with a regularized electron–ion potential is used to obtain a linear kinetic theory that is asymptotically exact at short times. This Markovian approximation includes all initial (equilibrium) electron–electron and electron–ion correlations through renormalized pair potentials. The kinetic theory is solved in terms of single-particle trajectories of the electron–ion potential and a dielectric function for the inhomogeneous electron gas. The results are illustrated by a calculation of the autocorrelation function for the electron field at the ion. The dependence on charge number Z is shown to be dominated by the bound states of the effective electron–ion potential. On this basis, a very simple practical representation of the trajectories is proposed and shown to be accurate over a wide range including strong electron–ion coupling. This simple representation is then used for a brief analysis of the dielectric function for the inhomogeneous electron gas
Separation of electron and hole dynamics in the semimetal LaSb
Energy Technology Data Exchange (ETDEWEB)
Han, F.; Xu, J.; Botana, A. S.; Xiao, Z. L.; Wang, Y. L.; Yang, W. G.; Chung, D. Y.; Kanatzidis, M. G.; Norman, M. R.; Crabtree, G. W.; Kwok, W. K.
2017-09-01
We report investigations on the magnetotransport in LaSb, which exhibits extremely large magnetoresistance (XMR). Foremost, we demonstrate that the resistivity plateau can be explained without invoking topological protection. We then determine the Fermi surface from Shubnikov–de Haas (SdH) quantum oscillation measurements and find good agreement with the bulk Fermi pockets derived from first-principles calculations. Using a semiclassical theory and the experimentally determined Fermi pocket anisotropies, we quantitatively describe the orbital magnetoresistance, including its angle dependence.We show that the origin of XMR in LaSb lies in its high mobility with diminishing Hall effect, where the high mobility leads to a strong magnetic-field dependence of the longitudinal magnetoconductance. Unlike a one-band material, when a system has two or more bands (Fermi pockets) with electron and hole carriers, the added conductance arising from the Hall effect is reduced, hence revealing the latent XMR enabled by the longitudinal magnetoconductance. With diminishing Hall effect, the magnetoresistivity is simply the inverse of the longitudinal magnetoconductivity, enabling the differentiation of the electron and hole contributions to the XMR, which varies with the strength and orientation of the magnetic field. This work demonstrates a convenient way to separate the dynamics of the charge carriers and to uncover the origin of XMR in multiband materials with anisotropic Fermi surfaces. Our approach can be readily applied to other XMR materials.
Modified semiclassical approximation for trapped Bose gases
International Nuclear Information System (INIS)
Yukalov, V.I.
2005-01-01
A generalization of the semiclassical approximation is suggested allowing for an essential extension of its region of applicability. In particular, it becomes possible to describe Bose-Einstein condensation of a trapped gas in low-dimensional traps and in traps of low confining dimensions, for which the standard semiclassical approximation is not applicable. The result of the modified approach is shown to coincide with purely quantum-mechanical calculations for harmonic traps, including the one-dimensional harmonic trap. The advantage of the semiclassical approximation is in its simplicity and generality. Power-law potentials of arbitrary powers are considered. The effective thermodynamic limit is defined for any confining dimension. The behavior of the specific heat, isothermal compressibility, and density fluctuations is analyzed, with an emphasis on low confining dimensions, where the usual semiclassical method fails. The peculiarities of the thermodynamic characteristics in the effective thermodynamic limit are discussed
Moments of inertia in a semiclassical approach
International Nuclear Information System (INIS)
Benchein, K.
1993-01-01
Semiclassical calculations have been performed for 31 nuclei. As a result of preliminary non-fully self-consistent calculations, the moments of inertia in investigated nuclei abd spin degrees of freedom are found
Spurious Excitations in Semiclassical Scattering Theory.
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)
Some applications of semiclassical methods to quantum chaos
International Nuclear Information System (INIS)
Mouchet, A.
1996-01-01
This thesis is made of four chapters. The first chapter is devoted to the description of the band structure, using the semiclassical periodic orbit theory, for a one electron system in a two-dimensional crystal with a high magnetic field perpendicular to the crystal plane. Complex orbits turn out to be fundamental for a proper description of the band structure since they incorporate conduction processes through tunneling mechanisms. In the second part, the author focuses on the role played in semiclassical expansions by complex orbits. They give exponentially small contribution when h is small only in a precise situation. In all other cases, complex orbits give birth to corrections in powers in h but unlike the extreme case they are hidden in the shadow of usual Gutzwiller contributions of real orbits. In the third chapter, a semiclassical expansion of the Berry two-form in terms of finite number of periodic orbits for a discrete chaotic map defined on a compact phase space and governed by external parameters is given. Besides, when dealing with a toroidal geometry, the author gives a similar expansion for the Chern index of any Bloch band of the quasi-energy spectrum and is thus led to a semiclassical interpretation of the Hall effect. In the last chapter, the author sets out a mechanism to explain how symmetries can create Berry phase shifts higher than 2π in a 3D-adiabatic transport. He shows how one can understand in a topological point of view why these shifts are necessarily integer multiple of 2π. An explicit construction of such arbitrary large phase shifts is finally proposed. (N.T.)
Signatures of unstable semiclassical trajectories in tunneling
International Nuclear Information System (INIS)
Levkov, D G; Panin, A G; Sibiryakov, S M
2009-01-01
It was found recently that processes of multidimensional tunneling are generally described at high energies by unstable semiclassical trajectories. We study two observational signatures related to the instability of trajectories. First, we find an additional power-law dependence of the tunneling probability on the semiclassical parameter as compared to the standard case of potential tunneling. The second signature is a substantial widening of the probability distribution over final-state quantum numbers. These effects are studied using a modified semiclassical technique which incorporates stabilization of the tunneling trajectories. The technique is derived from first principles. We obtain expressions for the inclusive and exclusive tunneling probabilities in the case of unstable semiclassical trajectories. We also investigate the 'phase transition' between the cases of stable and unstable trajectories across certain 'critical' values of energy. Finally, we derive the relation between the semiclassical probabilities of tunneling from the low-lying and highly excited initial states. This puts on firm ground a conjecture made previously in the semiclassical description of collision-induced tunneling in field theory
Electron dynamics in inhomogeneous magnetic fields
Energy Technology Data Exchange (ETDEWEB)
Nogaret, Alain, E-mail: A.R.Nogaret@bath.ac.u [Department of Physics, University of Bath, Bath BA2 7AY (United Kingdom)
2010-06-30
This review explores the dynamics of two-dimensional electrons in magnetic potentials that vary on scales smaller than the mean free path. The physics of microscopically inhomogeneous magnetic fields relates to important fundamental problems in the fractional quantum Hall effect, superconductivity, spintronics and graphene physics and spins out promising applications which will be described here. After introducing the initial work done on electron localization in random magnetic fields, the experimental methods for fabricating magnetic potentials are presented. Drift-diffusion phenomena are then described, which include commensurability oscillations, magnetic channelling, resistance resonance effects and magnetic dots. We then review quantum phenomena in magnetic potentials including magnetic quantum wires, magnetic minibands in superlattices, rectification by snake states, quantum tunnelling and Klein tunnelling. The third part is devoted to spintronics in inhomogeneous magnetic fields. This covers spin filtering by magnetic field gradients and circular magnetic fields, electrically induced spin resonance, spin resonance fluorescence and coherent spin manipulation. (topical review)
Lamb shift in quantum electrodynamics (semiclassical theory)
International Nuclear Information System (INIS)
Blaive, B.; Boudet, R.
1989-01-01
This paper aims to bring some arguments to the proof of the Barut and Van Huele formula, which gives the Lamb shift in the semi-classical theory model: by shortening the calculation owing to the use of a decomposition of the self-potential of the electron; by eliminating the appeal to a divergent series; by bringing justifications and clarifications on some important points of the proof. The effective calculation of the coefficients of the formula is achieved for some of them, and the general analytical form of these coefficients is explicited. It is also proved that the B. and V.H. formula must give results at least as close to the experiment as those of the Bethe formula, which is obtained in Quantum Theory of Fields. Finally one shows that the B. and V.H. formula provides a justification de facto for the cut-off which is used for associating finite numbers to the divergent integrals of the Bethe formula [fr
Electronic structure and electron dynamics at Si(100)
Energy Technology Data Exchange (ETDEWEB)
Weinelt, M. [Universitaet Erlangen-Nuernberg, Lehrstuhl fuer Festkoerperphysik, Erlangen (Germany); Max-Born-Institut, Berlin (Germany); Kutschera, M.; Schmidt, R.; Orth, C.; Fauster, T. [Universitaet Erlangen-Nuernberg, Lehrstuhl fuer Festkoerperphysik, Erlangen (Germany); Rohlfing, M. [International University Bremen, School of Engineering and Science, P.O. Box 750 561, Bremen (Germany)
2005-02-01
The electronic structure and electron dynamics at a Si(100) surface is studied by two-photon photoemission (2PPE). At 90 K the occupied D{sub up} dangling-bond state is located 150{+-}50 meV below the valence-band maximum (VBM) at the center of the surface Brillouin zone anti {gamma} and exhibits an effective hole mass of (0.5{+-}0.15)m{sub e}. The unoccupied D{sub down} band has a local minimum at anti {gamma} at 650{+-}50 meV above the VBM and shows strong dispersion along the dimer rows of the c(4 x 2) reconstructed surface. At 300 K the D{sub down} position shifts comparable to the Si conduction-band minimum by 40 meV to lower energies but the dispersion of the dangling-bond states is independent of temperature. The surface band bending for p-doped silicon is less than 30 meV, while acceptor-type defects cause significant and preparation-dependent band bending on n-doped samples. 2PPE spectra of Si(100) are dominated by interband transitions between the occupied and unoccupied surface states and emission out of transiently and permanently charged surface defects. Including electron-hole interaction in many-body calculations of the quasi-particle band structure leads us to assign a dangling-bond split-off state to a quasi-one-dimensional surface exciton with a binding energy of 130 meV. Electrons resonantly excited to the unoccupied D{sub down} dangling-bond band with an excess energy of about 350 meV need 1.5{+-}0.2 ps to scatter via phonon emission to the band bottom at anti {gamma} and relax within 5 ps with an excited hole in the occupied surface band to form an exciton living for nanoseconds. (orig.)
Semiclassical statistical mechanics of fluids
International Nuclear Information System (INIS)
Singh, Y.; Sinha, S.K.
1981-01-01
The problem of calculating the equilibrium properties of fluids in the semiclassical limit when the quantum effects are small is studied. Particle distribution functions and thermodynamic quantities are defined in terms of the Slater sum and methods for evaluating the Slater sum are discussed. It is shown that the expansion method employing the usual Wigner-Kirkwood or Hemmer-Jancovici series is not suitable to treat the properties of the condensed state. Using the grand canonical ensemble and functional differentiation technique we develop cluster expansion series of the Helmholtz free energy and pair correlation functions. Using topological reduction we transform these series to more compact form involving a renormalized potential or a renormalized Mayer function. Then the convergence of the two series is improved by an optimal choice of the renormalized potential or the Mayer function. Integral equation theories are derived and used to devise perturbation methods. An application of these methods to the calculation of the virial coefficients, thermodynamic properties and the pair correlation function for model fluids is discussed. (orig.)
A derivation of the Derbenev-Kondratenko formula using semi-classical electrodynamics
International Nuclear Information System (INIS)
Mane, S.R.
1985-11-01
We present a detailed exposition of the mechanism for the build-up of polarization in electron storage rings. A semi-classical approach is used to derive the rate of growth and asymptotic degree of polarization in an electron storage ring (the Derbenev-Kondratenko formula). Statistical mechanical concepts used to obtain as classical an understanding as possible of this phenomenon. (orig.)
Electron Beam Diagnosis and Dynamics using DIADYN Plasma Source
International Nuclear Information System (INIS)
Toader, D.; Craciun, G.; Manaila, E.; Oproiu, C.; Marghitu, S.
2009-01-01
This paper is presenting results obtained with the DIADYN installation after replacing its vacuum electron source (VES L V) with a plasma electron source (PES L V). DIADYN is a low energy laboratory equipment operating with 10 to 50 keV electron beams and designed to help realize non-destructive diagnosis and dynamics for low energy electron beams but also to be used in future material irradiations. The results presented here regard the beam diagnosis and dynamics made with beams obtained from the newly replaced plasma source. We discuss both results obtained in experimental dynamics and dynamics calculation results for electron beams extracted from the SEP L V source.
Incoherent imaging using dynamically scattered coherent electrons
International Nuclear Information System (INIS)
Nellist, P.D.; Pennycook, S.J.
1999-01-01
We use a Bloch wave approach to show that, even for coherent dynamical scattering from a stationary lattice with no absorption, annular dark-field imaging in a scanning transmission electron microscope gives a direct incoherent structure image of the atomic-column positions of a zone-axis-aligned crystal. Although many Bloch waves may be excited by the probe, the detector provides a filtering effect so that the 1s-type bound states are found to dominate the image contrast for typical experimental conditions. We also find that the column intensity is related to the transverse kinetic energy of the 1s states, which gives atomic number, Z, contrast. The additional effects of phonon scattering are discussed, in particular the reasons why phonon scattering is not a prerequisite for transverse incoherence. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)
Semi-classical quantization of chaotic billiards
International Nuclear Information System (INIS)
Smilansky, U.
1992-02-01
The semi-classical quantization of chaotic billiards will be developed using scattering theory approach. This will be used to introduce and explain the inherent difficulties in the semi-classical quantization of chaos, and to show some of the modern tools which were developed recently to overcome these difficulties. To this end, we shall first obtain a semi-classical secular equation which is based on a finite number of classical periodic orbits. We shall use it to derive some spectral properties, and in particular to investigate the relationship between spectral statistics of quantum chaotic systems and the predictions of random-matrix theory. We shall finally discuss an important family of chaotic billiard, whose statistics does not follow any of the canonical ensembles, (GOE,GUE,...) but rather, corresponds to a new universality class. (author)
Semiclassical shell structure in rotating Fermi systems
International Nuclear Information System (INIS)
Magner, A. G.; Sitdikov, A. S.; Khamzin, A. A.; Bartel, J.
2010-01-01
The collective moment of inertia is derived analytically within the cranking model for any rotational frequency of the harmonic-oscillator potential well and at a finite temperature. Semiclassical shell-structure components of the collective moment of inertia are obtained for any potential by using the periodic-orbit theory. We found semiclassically their relation to the free-energy shell corrections through the shell-structure components of the rigid-body moment of inertia of the statistically equilibrium rotation in terms of short periodic orbits. The shell effects in the moment of inertia exponentially disappear with increasing temperature. For the case of the harmonic-oscillator potential, one observes a perfect agreement of the semiclassical and quantum shell-structure components of the free energy and the moment of inertia for several critical bifurcation deformations and several temperatures.
Thermal spin pumping mediated by magnons in the semiclassical regime
International Nuclear Information System (INIS)
Nakata, Kouki
2012-01-01
We microscopically analyze thermal spin pumping mediated by magnons, at the interface between a ferromagnetic insulator and a non-magnetic metal, in the semiclassical regime. The generation of a spin current is discussed by calculating the thermal spin transfer torque, which breaks the spin conservation law for conduction electrons and operates the coherent magnon state. Inhomogeneous thermal fluctuations between conduction electrons and magnons induce a net spin current, which is pumped into the adjacent non-magnetic metal. The pumped spin current is proportional to the temperature difference. When the effective temperature of magnons is lower than that of conduction electrons, localized spins lose spin angular momentum by emitting magnons and conduction electrons flip from down to up by absorbing all the emitted momentum, and vice versa. Magnons at the zero mode cannot contribute to thermal spin pumping because they are eliminated by the spin-flip condition. Consequently thermal spin pumping does not cost any kind of applied magnetic fields
Semiclassical propagator of the Wigner function.
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.
Remnants of semiclassical bistability in the few-photon regime of cavity QED.
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
International Nuclear Information System (INIS)
Rouben, D.C.
1997-01-01
A semiclassical method for resonant tunneling in a quantum well in the presence of a magnetic field tilted with regard to an electric field is developed. In particular a semiclassical formula is derived for the total current of electrons after the second barrier of the quantum well. The contribution of the stable and unstable orbits is studied. It appears that the parameters which describe the classical chaos in the quantum well have an important effect on the tunneling current. A numerical experiment is led, the contributions to the current of some particular orbits are evaluated and the results are compared with those given by the quantum theory. (A.C.)
Energy Technology Data Exchange (ETDEWEB)
Berkolaiko, G. [Department of Mathematics, Texas A and M University, College Station, Texas 77843-3368 (United States); Kuipers, J. [Institut für Theoretische Physik, Universität Regensburg, D-93040 Regensburg (Germany)
2013-12-15
Electronic transport through chaotic quantum dots exhibits universal behaviour which can be understood through the semiclassical approximation. Within the approximation, calculation of transport moments reduces to codifying classical correlations between scattering trajectories. These can be represented as ribbon graphs and we develop an algorithmic combinatorial method to generate all such graphs with a given genus. This provides an expansion of the linear transport moments for systems both with and without time reversal symmetry. The computational implementation is then able to progress several orders further than previous semiclassical formulae as well as those derived from an asymptotic expansion of random matrix results. The patterns observed also suggest a general form for the higher orders.
International Nuclear Information System (INIS)
Levanony, Dana; Ori, Amos
2010-01-01
We study the internal structure of a two-dimensional dilatonic evaporating black hole based on the Callan, Giddings, Harvey, and Strominger model. At the semiclassical level, a (weak) spacelike singularity was previously found to develop inside the black hole. We employ here a simplified quantum formulation of spacetime dynamics in the neighborhood of this singularity, using a minisuperspace-like approach. Quantum evolution is found to be regular and well defined at the semiclassical singularity. A well-localized initial wave packet propagating towards the singularity bounces off the latter and retains its well-localized form. Our simplified quantum treatment thus suggests that spacetime may extend semiclassically beyond the singularity, and also signifies the specific extension.
Levanony, Dana; Ori, Amos
2010-05-01
We study the internal structure of a two-dimensional dilatonic evaporating black hole based on the Callan, Giddings, Harvey, and Strominger model. At the semiclassical level, a (weak) spacelike singularity was previously found to develop inside the black hole. We employ here a simplified quantum formulation of spacetime dynamics in the neighborhood of this singularity, using a minisuperspace-like approach. Quantum evolution is found to be regular and well defined at the semiclassical singularity. A well-localized initial wave packet propagating towards the singularity bounces off the latter and retains its well-localized form. Our simplified quantum treatment thus suggests that spacetime may extend semiclassically beyond the singularity, and also signifies the specific extension.
Comparative study of quantal and semiclassical treatments of charge transfer between O+ and He
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.
International Nuclear Information System (INIS)
Green, T.A.
1978-10-01
For one-electron heteropolar systems, the wave-theoretic Lagrangian of Paper I 2 is simplified in two distinct approximations. The first is semiclassical; the second is quantal, for velocities below those for which the semiclassical treatment is reliable. For each approximation, unitarity and detailed balancing are discussed. Then, the variational method as described by Demkov is used to determine the coupled equations for the radial functions and the Euler-Lagrange equations for the translational factors which are part of the theory. Specific semiclassical formulae for the translational factors are given in a many-state approximation. Low-velocity quantal formulae are obtained in a one-state approximation. The one-state results of both approximations agree with an earlier determination by Riley. 14 references
Diffraction and angular momentum effects in semiclassical atomic scattering theory
International Nuclear Information System (INIS)
Russek, A.
1979-01-01
The semiclassical scattering theory of Mott and Massey and Ford and Wheeler is here extended to multichannel scattering as occurs at a crossing or pseudocrossing of the transient molecule formed by the colliding atoms. The generalized theory incorporates both interference and diffraction phenomena, but the emphasis in this work is on diffraction. For small-angle scattering, diffraction effects become broader, not narrower, as the collision energy increases: ΔbΔtau > or = h[E/sub inc//(2m)]/sup 1/2/ relates the uncertainties in impact parameter b and reduced scattering angle tau = E/sub inc/theta, and determines the range in b required to resolve a structure in the deflection function of height Δtau. In the kilovolt range of collision energies, the effects of local maxima and minima in the deflection function are washed out, and the Airy-function approximation of Ford and Wheeler is inappropriate to describe the differential cross section. More generally, it is shown that at keV collision energies the stationary-phase approximation, heretofore essential in the reduction to the semiclassical limit, breaks down in the vicinity of a level crossing. An approximate theorem is proposed which remains valid in this region and elsewhere reduces to the standard stationary-phase approximation. Several illustrative examples are considered. A separate development treats the effect on the differential scattering cross section of a change in electronic angular momentum when electronic excitation occurs
Semiclassical analysis of loop quantum gravity
International Nuclear Information System (INIS)
Conrady, F.
2005-01-01
In this Ph.D. thesis, we explore and develop new methods that should help in determining an effective semiclassical description of canonical loop quantum gravity and spin foam gravity. A brief introduction to loop quantum gravity is followed by three research papers that present the results of the Ph.D. project. In the first article, we deal with the problem of time and a new proposal for implementing proper time as boundary conditions in a sum over histories: we investigate a concrete realization of this formalism for free scalar field theory. In the second article, we translate semiclassical states of linearized gravity into states of loop quantum gravity. The properties of the latter indicate how semiclassicality manifests itself in the loop framework, and how this may be exploited for doing semiclassical expansions. In the third part, we propose a new formulation of spin foam models that is fully triangulation- and background-independent: by means of a symmetry condition, we identify spin foam models whose triangulation-dependence can be naturally removed. (orig.)
Semiclassical analysis of loop quantum gravity
Energy Technology Data Exchange (ETDEWEB)
Conrady, F.
2005-10-17
In this Ph.D. thesis, we explore and develop new methods that should help in determining an effective semiclassical description of canonical loop quantum gravity and spin foam gravity. A brief introduction to loop quantum gravity is followed by three research papers that present the results of the Ph.D. project. In the first article, we deal with the problem of time and a new proposal for implementing proper time as boundary conditions in a sum over histories: we investigate a concrete realization of this formalism for free scalar field theory. In the second article, we translate semiclassical states of linearized gravity into states of loop quantum gravity. The properties of the latter indicate how semiclassicality manifests itself in the loop framework, and how this may be exploited for doing semiclassical expansions. In the third part, we propose a new formulation of spin foam models that is fully triangulation- and background-independent: by means of a symmetry condition, we identify spin foam models whose triangulation-dependence can be naturally removed. (orig.)
Semiclassical description of hot nuclear systems
International Nuclear Information System (INIS)
Brack, M.
1984-01-01
We present semiclassical density variational calculations for highly excited nuclear systems. We employ the newly derived functionals tau[rho] and sigma[rho] of the extended Thomas-Fermi (ETF) model, generalized to finite temperatures. Excellent agreement is reached with Hartree-Fock (HF) results. We also calculated the fission barrier of 240 Pu as a function of the nuclear temperature
Lasing in nanowires: Ab initio semiclassical model
DEFF Research Database (Denmark)
Bordo, Vladimir
2013-01-01
The semiclassical equations which describe lasing in nanowires are derived from first principles. Both the lasing threshold condition and the steady-state regime of operation are discussed. It is shown that the lasing is governed by the Fourier coefficients of the field susceptibility averaged ov...
Semiclassical scattering in Yang-Mills theory
International Nuclear Information System (INIS)
Gould, T.M.; Poppitz, E.R.
1994-01-01
A classical solution to the Yang-Mills theory is given a semiclassical interpretation. The boundary value problem on a complex time contour which arises from the semiclassical approximation to multiparticle scattering amplitudes is reviewed and applied to the case of Yang-Mills theory. The solution describes a classically forbidden transition between states with a large average number of particles in the limit g→0. It dominates a transition probability with a semiclassical suppression factor equal to twice the action of the well-known BPST instanton. Hence, it is relevant to the problem of high-energy tunnelling. It describes transitions of unit topological charge for an appropriate time contour. Therefore, it may have a direct interpretation in terms of fermion-number violating processes in electroweak theory. The solution describes a transition between an initial state with parametrically fewer particles than the final state. Thus, it may be relevant to the study of semiclassical initial-state corrections in the limit of a small number of initial particles. The implications of these results for multiparticle production in electroweak theory are also discussed. (orig.)
Uniform semiclassical approximation for absorptive scattering systems
International Nuclear Information System (INIS)
Hussein, M.S.; Pato, M.P.
1987-07-01
The uniform semiclassical approximation of the elastic scattering amplitude is generalized to absorptive systems. An integral equation is derived which connects the absorption modified amplitude to the absorption free one. Division of the amplitude into a diffractive and refractive components is then made possible. (Author) [pt
XXIII International Conference on Nonlinear Dynamics of Electronic Systems
Stoop, Ruedi; Stramaglia, Sebastiano
2017-01-01
This book collects contributions to the XXIII international conference “Nonlinear dynamics of electronic systems”. Topics range from non-linearity in electronic circuits to synchronisation effects in complex networks to biological systems, neural dynamics and the complex organisation of the brain. Resting on a solid mathematical basis, these investigations address highly interdisciplinary problems in physics, engineering, biology and biochemistry.
Electron cloud dynamics in the Cornell Electron Storage Ring Test Accelerator wiggler
Directory of Open Access Journals (Sweden)
C. M. Celata
2011-04-01
Full Text Available The interference of stray electrons (also called “electron clouds” with accelerator beams is important in modern intense-beam accelerators, especially those with beams of positive charge. In magnetic wigglers, used, for instance, for transverse emittance damping, the intense synchrotron radiation produced by the beam can generate an electron cloud of relatively high density. In this paper the complicated dynamics of electron clouds in wigglers is examined using the example of a wiggler in the Cornell Electron Storage Ring Test Accelerator experiment at the Cornell Electron Storage Ring. Three-dimensional particle-in-cell simulations with the WARP-POSINST computer code show different density and dynamics for the electron cloud at locations near the maxima of the vertical wiggler field when compared to locations near the minima. Dynamics in these regions, the electron cloud distribution vs longitudinal position, and the beam coherent tune shift caused by the wiggler electron cloud will be discussed.
Semiclassical calculation for collision induced dissociation. II. Morse oscillator model
International Nuclear Information System (INIS)
Rusinek, I.; Roberts, R.E.
1978-01-01
A recently developed semiclassical procedure for calculating collision induced dissociation probabilities P/sup diss/ is applied to the collinear collision between a particle and a Morse oscillator diatomic. The particle--diatom interaction is described with a repulsive exponential potential function. P/sup diss/ is reported for a system of three identical particles, as a function of collision energy E/sub t/ and initial vibrational state of the diatomic n 1 . The results are compared with the previously reported values for the collision between a particle and a truncated harmonic oscillator. The two studies show similar features, namely: (a) there is an oscillatory structure in the P/sup diss/ energy profiles, which is directly related to n 1 ; (b) P/sup diss/ becomes noticeable (> or approx. =10 -3 ) for E/sub t/ values appreciably higher than the energetic threshold; (c) vibrational enhancement (inhibition) of collision induced dissociation persists at low (high) energies; and (d) good agreement between the classical and semiclassical results is found above the classical dynamic threshold. Finally, the convergence of P/sup diss/ for increasing box length is shown to be rapid and satisfactory
Semiclassical universe from first principles
Ambjørn, J.; Jurkiewicz, J.; Loll, R.
2004-01-01
Causal Dynamical Triangulations in four dimensions provide a backgroundindependent definition of the sum over space-time geometries in nonperturbative quantum gravity. We show that the macroscopic four-dimensional world which emerges in the Euclidean sector of this theory is a bounce which
Electron Beam Diagnosis and Dynamics using DIADYN Plasma Source
Energy Technology Data Exchange (ETDEWEB)
Toader, D; Craciun, G; Manaila, E; Oproiu, C [National Institute of Research for Laser, Plasma and Radiation Physics Bucuresti (Romania); Marghitu, S [ICPE Electrostatica S.A - Bucuresti (Romania)
2009-11-15
This paper is presenting results obtained with the DIADYN installation after replacing its vacuum electron source (VES{sub L}V) with a plasma electron source (PES{sub L}V). DIADYN is a low energy laboratory equipment operating with 10 to 50 keV electron beams and designed to help realize non-destructive diagnosis and dynamics for low energy electron beams but also to be used in future material irradiations. The results presented here regard the beam diagnosis and dynamics made with beams obtained from the newly replaced plasma source. We discuss both results obtained in experimental dynamics and dynamics calculation results for electron beams extracted from the SEP{sub L}V source.
Energetics and dynamics of excess electrons in simple fluids
International Nuclear Information System (INIS)
Space, B.
1992-01-01
Excess electronic dynamical and equilibrium properties are modeled in both polarizable and nonpolarizable noble gas fluids. Explicit dynamical calculations are carried out for excess electrons in fluid helium, where excess electronic eigenstates are localized. Energetics and dynamics are considered for fluids which span the entire range of polarizability present in the rare gases. Excess electronic eigenstates and eigenvalues are calculated for fluids of helium, argon and xenon. Both equilibrium and dynamical information is obtained from the calculation of these wavefunctions. A surface hopping trajectory method for studying nonadiabatic excess electronic relaxation in condensed systems is used to explore the nonadiabatic relaxation after photoexciting an equilibrated excess electron in dense fluid helium. The different types on nonadiabatic phenomena which are important in excess electronic relaxation are surveyed. The same surface hopping trajectory method is also used to study the rapid nonadiabatic relaxation after an excess electron is injected into unperturbed fluid helium. Several distinctively different relaxation processes, characterized by their relative importance at different times during the relaxation to a localized equilibrium state, are detailed. Though the dynamical properties of excess electrons under the conditions considered here have never been studied before, the behavior is remarkably similar to that observed in both experimental and theoretical studies of electron hydration dynamics, indicating that the processes described may be very general relaxation mechanisms for localization and trapping in fluids. Additionally, ground state energies of an excess electron, e 0 , are computed as a function of solvent density using model electron-atom pseudopotentials in fluid helium, argon, and xenon. The nonuniqueness of the pseudopotential description of electron-molecule interactions is demonstrated
Dynamic screening and electron dynamics in low-dimensional metal systems
International Nuclear Information System (INIS)
Silkin, V.M.; Quijada, M.; Vergniory, M.G.; Alducin, M.; Borisov, A.G.; Diez Muino, R.; Juaristi, J.I.; Sanchez-Portal, D.; Chulkov, E.V.; Echenique, P.M.
2007-01-01
Recent advances in the theoretical description of dynamic screening and electron dynamics in metallic media are reviewed. The time-dependent building-up of screening in different situations is addressed. Perturbative and non-perturbative theories are used to study electron dynamics in low-dimensional systems, such as metal clusters, image states, surface states and quantum wells. Modification of the electronic lifetimes due to confinement effects is analyzed as well
Investigation of longitudinal dynamic in laser electron storage ring
Energy Technology Data Exchange (ETDEWEB)
Karnaukhov, I.; Zelinsky, A. E-mail: zelinsky@kipt.kharkov.ua; Telegin, Yu
2001-09-01
Longitudinal dynamic of electron beam due to radiation damping and quantum fluctuations in the storage ring with a laser-electron interaction section (Compton scattering) is investigated. This investigation was carried out by numerical simulations using the Monte Carlo method. The dependence of the steady-state energy spread of electron beam due to the Compton back scattering of photons on the electron beam energy and photon flash density were obtained. Simulation findings are compared with the analytical estimations by Z. Huang.
Investigation of longitudinal dynamic in laser electron storage ring
Karnaukhov, I; Telegin, Yu P
2001-01-01
Longitudinal dynamic of electron beam due to radiation damping and quantum fluctuations in the storage ring with a laser-electron interaction section (Compton scattering) is investigated. This investigation was carried out by numerical simulations using the Monte Carlo method. The dependence of the steady-state energy spread of electron beam due to the Compton back scattering of photons on the electron beam energy and photon flash density were obtained. Simulation findings are compared with the analytical estimations by Z. Huang.
Semiclassical propagation: Hilbert space vs. Wigner representation
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.
Wave packets, Maslov indices, and semiclassical quantization
International Nuclear Information System (INIS)
Littlejohn, R.G.
1989-01-01
The Bohr-Sommerfeld quantization condition, as refined by Keller and Maslov, reads I=(n+m/4)h, where I is the classical action, n is the quantum number, and where m is the Maslov index, an even integer. The occurrence of the integers n and m in this formula is a reflection of underlying topological features of semiclassical quantization. In particular, the work of Arnold and others has shown that m/2 is a winding number of closed curves on the classical symplectic group manifold, Sp(2N). Wave packets provide a simple and elegant means of establishing the connection between semiclassical quantization and the homotopy classes of Sp(2N), as well as a practical way of calculating Maslov indices in complex problems. Topological methods can also be used to derive general formulas for the Maslov indices of invariant tori in the classical phase space corresponding to resonant motion. (orig.)
Semiclassical quantization of the nonlinear Schrodinger equation
International Nuclear Information System (INIS)
Nohl, C.R.
1976-01-01
Using the functional integral technique of Dashen, Hasslacher, and Neveu, we perform a semiclassical quantization of the nonlinear Schrodinger equation (NLSE), which reproduces McGuire's exact result for the energy levels of the bound states of the theory. We show that the stability angle formalism leads to the one-loop normal ordering and self-energy renormalization expected from perturbation theory, and demonstrate that taking into account center-of-mass motion gives the correct nonrelativistic energy--momentum relation. We interpret the classical solution in the context of the quantum theory, relating it to the matrix element of the field operator between adjacent bound states in the limit of large quantum numbers. Finally, we quantize the NLSE as a theory of N component fermion fields and show that the semiclassical method yields the exact energy levels and correct degeneracies
Semiclassical expansions for confined N fermion systems
International Nuclear Information System (INIS)
Krivine, H.; Martorell, J.; Casas, M.
1989-01-01
A new derivation of the Wigner Kirkwood expansion for N-fermion systems is presented, showing explicitly the connection to the WKB approximation for a single level. This allows to study separately the two ansatz required to obtain the semiclassical expansions: the asymptotic expansions in powers of ℎ and the smoothing of quantal effects. We discuss the one dimensional and three dimensional, with spherical symmetry, cases. Applications for standard potentials used in nuclear physics are described in detail
Semiclassical limit of the FZZT Liouville theory
International Nuclear Information System (INIS)
Hadasz, Leszek; Jaskolski, Zbigniew
2006-01-01
The semiclassical limit of the FZZT Liouville theory on the upper half plane with bulk operators of arbitrary type and with elliptic boundary operators is analyzed. We prove the Polyakov conjecture for an appropriate classical Liouville action. This action is calculated in a number of cases: One bulk operator of arbitrary type, one bulk and one boundary, and two boundary elliptic operators. The results are in agreement with the classical limits of the corresponding quantum correlators
Semiclassical limit of the FZZT Liouville theory
Hadasz, Leszek; Jaskólski, Zbigniew
2006-11-01
The semiclassical limit of the FZZT Liouville theory on the upper half plane with bulk operators of arbitrary type and with elliptic boundary operators is analyzed. We prove the Polyakov conjecture for an appropriate classical Liouville action. This action is calculated in a number of cases: One bulk operator of arbitrary type, one bulk and one boundary, and two boundary elliptic operators. The results are in agreement with the classical limits of the corresponding quantum correlators.
Semiclassical limit of the FZZT Liouville theory
Hadasz, Leszek; Jaskolski, Zbigniew
2006-01-01
The semiclassical limit of the FZZT Liouville theory on the upper half plane with bulk operators of arbitrary type and with elliptic boundary operators is analyzed. We prove the Polyakov conjecture for an appropriate classical Liouville action. This action is calculated in a number of cases: one bulk operator of arbitrary type, one bulk and one boundary, and two boundary elliptic operators. The results are in agreement with the classical limits of the corresponding quantum correlators.
Semiclassical limit of the FZZT Liouville theory
Energy Technology Data Exchange (ETDEWEB)
Hadasz, Leszek [Physikalisches Institut, Rheinische Friedrich-Wilhelms-Universitaet, Nussallee 12, 53115 Bonn (Germany); M. Smoluchowski Institute of Physics, Jagiellonian University, W. Reymonta 4, 30-059 Cracow (Poland)]. E-mail: hadasz@th.if.uj.edu.pl; Jaskolski, Zbigniew [Institute of Theoretical Physics, University of Wroclaw, pl. M. Borna 9, 50-204 Wroclaw (Poland)]. E-mail: jask@ift.uni.wroc.pl
2006-11-27
The semiclassical limit of the FZZT Liouville theory on the upper half plane with bulk operators of arbitrary type and with elliptic boundary operators is analyzed. We prove the Polyakov conjecture for an appropriate classical Liouville action. This action is calculated in a number of cases: One bulk operator of arbitrary type, one bulk and one boundary, and two boundary elliptic operators. The results are in agreement with the classical limits of the corresponding quantum correlators.
Semiclassical approximation in Batalin-Vilkovisky formalism
International Nuclear Information System (INIS)
Schwarz, A.
1993-01-01
The geometry of supermanifolds provided with a Q-structure (i.e. with an odd vector field Q satisfying {Q, Q}=0), a P-structure (odd symplectic structure) and an S-structure (volume element) or with various combinations of these structures is studied. The results are applied to the analysis of the Batalin-Vilkovisky approach to the quantization of gauge theories. In particular the semiclassical approximation in this approach is expressed in terms of Reidemeister torsion. (orig.)
Probing electron correlation and nuclear dynamics in Momentum Space
International Nuclear Information System (INIS)
Deleuze, M S; Hajgato, B; Morini, F; Knippenberg, S
2010-01-01
Orbital imaging experiments employing Electron Momentum Spectroscopy are subject to many complications, such as distorted wave effects, conformational mobility in the electronic ground state, ultra-fast nuclear dynamics in the final state, or a dispersion of the ionization intensity over electronically excited (shake-up) configurations of the cation. The purpose of the present contribution is to illustrate how a proper treatment of these complications enables us to probe in momentum space the consequences of electron correlation and nuclear dynamics in neutral and cationic states.
Semiclassical initial value treatment of wave functions
International Nuclear Information System (INIS)
Kay, Kenneth G.
2010-01-01
A semiclassical initial value approximation for time-independent wave functions, previously derived for integrable systems, is rederived in a form which allows it to be applied to more general systems. The wave function is expressed as an integral over a Lagrangian manifold that is constructed by propagating trajectories from an initial manifold formed on a Poincare surface. Even in the case of bound, integrable systems, it is unnecessary to identify action-angle variables or construct quantizing tori. The approximation is numerically tested for separable and highly chaotic two-dimensional quartic oscillator systems. For the separable (but highly anharmonic) system, the accuracy of the approximation is found to be excellent: overlaps of the semiclassical wave functions with the corresponding quantum wave functions exceed 0.999. For the chaotic system, semiclassical-quantum overlaps are found to range from 0.989 to 0.994, indicating accuracy that is still very good, despite the short classical trajectories used in the calculations.
Molecular electron recollision dynamics in intense circularly polarized laser pulses
Bandrauk, André D.; Yuan, Kai-Jun
2018-04-01
Extreme UV and x-ray table top light sources based on high-order harmonic generation (HHG) are focused now on circular polarization for the generation of circularly polarized attosecond pulses as new tools for controlling electron dynamics, such as charge transfer and migration and the generation of attosecond quantum electron currents for ultrafast magneto-optics. A fundamental electron dynamical process in HHG is laser induced electron recollision with the parent ion, well established theoretically and experimentally for linear polarization. We discuss molecular electron recollision dynamics in circular polarization by theoretical analysis and numerical simulation. The control of the polarization of HHG with circularly polarized ionizing pulses is examined and it is shown that bichromatic circularly polarized pulses enhance recollision dynamics, rendering HHG more efficient, especially in molecules because of their nonspherical symmetry. The polarization of the harmonics is found to be dependent on the compatibility of the rotational symmetry of the net electric field created by combinations of bichromatic circularly polarized pulses with the dynamical symmetry of molecules. We show how the field and molecule symmetry influences the electron recollision trajectories by a time-frequency analysis of harmonics. The results, in principle, offer new unique controllable tools in the study of attosecond molecular electron dynamics.
Ion traps: some semiclassical observations
International Nuclear Information System (INIS)
Mielnik, B; RamIrez, A
2010-01-01
The unitary evolution operators generated by periodically varying elastic potentials including the Mathieu case V(q,t)= (β 0 + 2β 1 cos t)(q 2 /2 are studied. The evolution operations in the stability areas of the Strutt diagram admit effective (Floquet) Hamiltonians generalizing the orthodox oscillators. The points on the separatrices represent two exceptional types of unitary operations, imitating (in a soft way) the results of the sudden δ-like kicks of the elastic potential, or the distorted free evolution (in accelerated, slowed down or even negative time). In all domains the dynamical phenomena illustrate a non-trivial relation between the micro- and macroscopic motion scales.
Collision dynamics probed by convoy electron emission
International Nuclear Information System (INIS)
Seliger, M.; Burgdoerfer, J.; Toekesi, K.; Reinhold, C.O.; Takabayashi, Y.; Ito, T.; Komaki, K.; Azuma, T.; Yamazaki, Y.; RIKEN, Saitama
2002-01-01
The description of the collision mechanisms was examined by the emission of convoy electrons as a result of the transport of an Ar 17+ ion with an energy of 390 MeV/amu through self-supporting amorphous carbon foils of thickness varying from 25 to 9190 μg/cm 2 . A classical trajectory Monte Carlo (CTMC) simulation of the random walk of the electron initially attached to the relativistic hydrogenic Argon ion was performed. Measurements were made of the final kinetic energy of the emitted convoy electrons at the Heavy Ion Medical Accelerator in Chiba (HIMAC). (R.P.)
Electron Dynamics by Inelastic X-Ray Scattering
Schülke, Winfried
2007-01-01
The book offers the first comprehensive review of experimental methods, theory, and successful applications of synchrotron radiation based inelastic X-ray scattering (IXS) spectroscopy, which enables the investigation of electron dynamics in condensed matter (correlated motion and excitation).
Dynamic of non relativistic electrons and protons in the plasmasphere
International Nuclear Information System (INIS)
Mendes Junior, O.; Pinto Junior, O.; Gonzalez, W.D.
1985-01-01
A study of the dynamics of electrons and protons inside the plasmasphere is presented. These particles are subjected to the geomagnetic field and to plasmaspheric electric fields, given by simple static models, during magnetically quiet and disturbed periods. (author) [pt
Numerical approaches to complex quantum, semiclassical and classical systems
Energy Technology Data Exchange (ETDEWEB)
Schubert, Gerald
2008-11-03
anharmonicity. To this end we consider the linearised semiclassical propagator method, the Wigner-Moyal approach and the recently proposed quantum tomography. Finally, in chapter 4 we calculate the dynamics of a classical many-particle system under the influence of external fields. Considering a low-temperature rf-plasma, we investigate the interplay of the plasma dynamics and the motion of dust particles, immersed into the plasma for diagnostic reasons. (orig.)
Numerical approaches to complex quantum, semiclassical and classical systems
International Nuclear Information System (INIS)
Schubert, Gerald
2008-01-01
anharmonicity. To this end we consider the linearised semiclassical propagator method, the Wigner-Moyal approach and the recently proposed quantum tomography. Finally, in chapter 4 we calculate the dynamics of a classical many-particle system under the influence of external fields. Considering a low-temperature rf-plasma, we investigate the interplay of the plasma dynamics and the motion of dust particles, immersed into the plasma for diagnostic reasons. (orig.)
Semiclassical description of scattering with internal degrees of freedom
International Nuclear Information System (INIS)
Cruz-Barrios, S.; Gomez-Camacho, J.
1998-01-01
The scattering of systems with internal degrees of freedom is studied in the semi-classical approximation. It is found that a special set of states, named coherent internal states, are specially relevant for the semi-classical treatment. A classical trajectory is defined for each coherent internal state. The semi-classical expressions obtained satisfy the superposition principle and are valid for arbitrary coupling strength. (orig.)
Particle dynamics during electronic sputtering of solid krypton
DEFF Research Database (Denmark)
Dutkiewicz, L.; Pedrys, R.; Schou, Jørgen
1995-01-01
We have modeled electronic sputtering of solid krypton by excimer production with molecular dynamics. Both excimer evolution in the solid and deexcitation processes have been incorporated in the simulation. The excimer dynamics in the lattice has been analyzed: the excimers formed near the surface...
Ultrafast Non-Thermal Electron Dynamics in Single Layer Graphene
Directory of Open Access Journals (Sweden)
Novoselov K.S.
2013-03-01
Full Text Available We study the ultrafast dynamics of non-thermal electron relaxation in graphene upon impulsive excitation. The 10-fs resolution two color pump-probe allows us to unveil the non-equilibrium electron gas decay at early times.
Simulation of long-term dynamic behavior of runaway electrons
International Nuclear Information System (INIS)
Wang Yulei; Liu Jian; Zhang Ruili; He Yang
2015-01-01
The secular dynamics of runaway electrons in Tokamak electromagnetic field is studied. The radiation effect is added into a relativistic volume-preserving algorithm to gain long-term stability of calculation. The results shows that the method we used is able to reveal the behavior of a runaway electron in configuration space. (author)
Attosecond electron dynamics in molecules and liquids
WöRner, Hans Jakob
The ultrafast motion of electrons and holes following light-matter interaction is fundamental to a broad range of chemical and biophysical processes. In this lecture, I will discuss some of our recent experiments that measure the atomic-scale motion of charge with attosecond temporal resolution (1 as = 10-18s). The first experiment is carried out on isolated, spatially oriented molecules in the gas phase. Using high-harmonic spectroscopy, we resolve the migration of an electron hole across the molecule with a resolution of 100 as and simultaneously demonstrate extensive control over charge migration. In the second class of experiments, we use an attosecond pulse train synchronized with a near-infrared laser pulse to temporally resolve the process of photoemission from molecules in the gas phase and from a liquid-water microjet, resolving electron transport through liquid water on the attosecond time scale.
Electron transfer dynamics: Zusman equation versus exact theory
International Nuclear Information System (INIS)
Shi Qiang; Chen Liping; Nan Guangjun; Xu Ruixue; Yan Yijing
2009-01-01
The Zusman equation has been widely used to study the effect of solvent dynamics on electron transfer reactions. However, application of this equation is limited by the classical treatment of the nuclear degrees of freedom. In this paper, we revisit the Zusman equation in the framework of the exact hierarchical equations of motion formalism, and show that a high temperature approximation of the hierarchical theory is equivalent to the Zusman equation in describing electron transfer dynamics. Thus the exact hierarchical formalism naturally extends the Zusman equation to include quantum nuclear dynamics at low temperatures. This new finding has also inspired us to rescale the original hierarchical equations and incorporate a filtering algorithm to efficiently propagate the hierarchical equations. Numerical exact results are also presented for the electron transfer reaction dynamics and rate constant calculations.
Dynamical coupling of electrons and ions in Xray-induced dynamics
International Nuclear Information System (INIS)
Saalmann, Ulf; Camacho, Abraham; Rost, Jan-Michael
2015-01-01
Photo-absorption from short and intense Xray pulses by a molecule or a cluster triggers a complicated electron and ion dynamics. Whereas the excitation process concerns largely core-shell electrons, there are various subsequent relaxation channels like electronic decays and ionic Coulomb explosion. We will discuss the interplay of those processes for molecular clusters and fullerenes. (paper)
Directory of Open Access Journals (Sweden)
ShuZheng Yang
2016-01-01
Full Text Available Based on semiclassical tunneling method, we focus on charged fermions tunneling from higher-dimensional Reissner-Nordström black hole. We first simplify the Dirac equation by semiclassical approximation, and then a semiclassical Hamilton-Jacobi equation is obtained. Using the Hamilton-Jacobi equation, we study the Hawking temperature and fermions tunneling rate at the event horizon of the higher-dimensional Reissner-Nordström black hole space-time. Finally, the correct entropy is calculation by the method beyond semiclassical approximation.
Electron dynamics with radiation and nonlinear wigglers
International Nuclear Information System (INIS)
Jowett, J.M.
1986-06-01
The physics of electron motion in storage rings is described by supplementing the Hamiltonian equations of motion with fluctuating radiation reaction forces to describe the effects of synchrotron radiation. This leads to a description of radiation damping and quantum diffusion in single-particle phase-space by means of Fokker-Planck equations. For practical purposes, most storage rings remain in the regime of linear damping and diffusion; this is discussed in some detail with examples, concentrating on longitudinal phase space. However special devices such as nonlinear wigglers may permit the new generation of very large rings to go beyond this into regimes of nonlinear damping. It is shown how a special combined-function wiggler can be used to modify the energy distribution and current profile of electron bunches
Ultrafast dynamics of electrons at interfaces
Energy Technology Data Exchange (ETDEWEB)
McNeill, Jason Douglas [Univ. of California, Berkeley, CA (United States)
1999-05-03
Electronic states of a thin layer of material on a surface possess unique physical and chemical properties. Some of these properties arise from the reduced dimensionality of the thin layer with respect to the bulk or the properties of the electric field where two materials of differing dielectric constants meet at an interface. Other properties are related to the nature of the surface chemical bond. Here, the properties of excess electrons in thin layers of Xenon, Krypton, and alkali metals are investigated, and the bound state energies and effective masses of the excess electrons are determined using two-photon photoemission. For Xenon, the dependence of bound state energy, effective mass, and lifetime on layer thickness from one to nine layers is examined. Not all quantities were measured at each coverage. The two photon photoemission spectra of thin layers of Xenon on a Ag(111) substrate exhibit a number of sharp, well-defined peaks. The binding energy of the excess electronic states of Xenon layers exhibited a pronounced dependence on coverage. A discrete energy shift was observed for each additional atomic layer. At low coverage, a series of states resembling a Rydberg series is observed. This series is similar to the image state series observed on clean metal surfaces. Deviations from image state energies can be described in terms of the dielectric constant of the overlayer material and its effect on the image potential. For thicker layers of Xe (beyond the first few atomic layers), the coverage dependence of the features begins to resemble that of quantum well states. Quantum well states are related to bulk band states. However, the finite thickness of the layer restricts the perpendicular wavevector to a discrete set of values. Therefore, the spectrum of quantum well states contains a series of peaks which correspond to the various allowed values of the perpendicular wavevector. Analysis of the quantum well spectrum yields electronic band structure
International Nuclear Information System (INIS)
Huo, Pengfei; Miller, Thomas F. III; Coker, David F.
2013-01-01
A partial linearized path integral approach is used to calculate the condensed phase electron transfer (ET) rate by directly evaluating the flux-flux/flux-side quantum time correlation functions. We demonstrate for a simple ET model that this approach can reliably capture the transition between non-adiabatic and adiabatic regimes as the electronic coupling is varied, while other commonly used semi-classical methods are less accurate over the broad range of electronic couplings considered. Further, we show that the approach reliably recovers the Marcus turnover as a function of thermodynamic driving force, giving highly accurate rates over four orders of magnitude from the normal to the inverted regimes. We also demonstrate that the approach yields accurate rate estimates over five orders of magnitude of inverse temperature. Finally, the approach outlined here accurately captures the electronic coherence in the flux-flux correlation function that is responsible for the decreased rate in the inverted regime
Dynamic trapping of electrons in space plasmas
International Nuclear Information System (INIS)
Brenning, N.; Bohm, M.; Faelthammar, C.G.
1989-12-01
The neutralization of positive space charge is studied in a case where heavy positive ions are added to a limited region of length L in a collisionfree magnetized plasma. It is found that electrons which become accelerated towards the positive space charge can only achieve a partial neutralization: they overshoot, and the positive region becomes surrounded by negative space charges which screen the electric field from the surroundings. The process is studied both analytically and by computer simulations with consistent results: large positive potentials (U>>kT e /e) can be built up with respect to the surrounding plasma. In the process of growth, the potential maximum traps electrons in transit so that quasineutrality is maintained. The potential U is proportional to the ambient electron temperature and the square of the plasma density increase, but independent of both the ion injection rate and the length L. The process explains several features of the Porcupinge xenon beam injection experiment. It could also have importance for the electrodynamic coupling between plasmas of different densities, e.g. the injection of neutral clouds in the ionosphere of species that becomes rapidly photoionized, or penetration of dense plasma clouds from the solar wind into the magnetosphere. (31 refs.) (authors)
Electron-nuclear corellations for photoinduced dynamics in molecular dimers
Kilin, Dmitri S.; Pereversev, Yuryi V.; Prezhdo, Oleg V.
2003-03-01
Ultrafast photoinduced dynamics of electronic excitation in molecular dimers is drastically affected by dynamic reorganization of of inter- and intra- molecular nuclear configuration modelled by quantized nuclear degree of freedom [1]. The dynamics of the electronic population and nuclear coherence is analyzed with help of both numerical solution of the chain of coupled differential equations for mean coordinate, population inversion, electronic-vibrational correlation etc.[2] and by propagating the Gaussian wavepackets in relevant adiabatic potentials. Intriguing results were obtained in the approximation of small energy difference and small change of nuclear equilibrium configuration for excited electronic states. In the limiting case of resonance between electronic states energy difference and frequency of the nuclear mode these results have been justified by comparison to exactly solvable Jaynes-Cummings model. It has been found that the photoinduced processes in dimer are arranged according to their time scales:(i) fast scale of nuclear motion,(ii) intermediate scale of dynamical redistribution of electronic population between excited states as well as growth and dynamics of electronic -nuclear correlation,(iii) slow scale of electronic population approaching to the quasiequilibrium distribution, decay of electronic-nuclear correlation, and diminishing the amplitude of mean coordinate oscillations, accompanied by essential growth of the nuclear coordinate dispersion associated with the overall nuclear wavepacket width. Demonstrated quantum-relaxational features of photoinduced vibronic dinamical processess in molecular dimers are obtained by simple method, applicable to large biological systems with many degrees of freedom. [1] J. A. Cina, D. S. Kilin, T. S. Humble, J. Chem. Phys. (2003) in press. [2] O. V. Prezhdo, J. Chem. Phys. 117, 2995 (2002).
Semiclassical analysis, Witten Laplacians, and statistical mechanis
Helffer, Bernard
2002-01-01
This important book explains how the technique of Witten Laplacians may be useful in statistical mechanics. It considers the problem of analyzing the decay of correlations, after presenting its origin in statistical mechanics. In addition, it compares the Witten Laplacian approach with other techniques, such as the transfer matrix approach and its semiclassical analysis. The author concludes by providing a complete proof of the uniform Log-Sobolev inequality. Contents: Witten Laplacians Approach; Problems in Statistical Mechanics with Discrete Spins; Laplace Integrals and Transfer Operators; S
SAM revisited: uniform semiclassical approximation with absorption
International Nuclear Information System (INIS)
Hussein, M.S.; Pato, M.P.
1986-01-01
The uniform semiclassical approximation is modified to take into account strong absorption. The resulting theory, very similar to the one developed by Frahn and Gross is used to discuss heavy-ion elastic scattering at intermediate energies. The theory permits a reasonably unambiguos separation of refractive and diffractive effects. The systems 12 C+ 12 C and 12 C+ 16 O, which seem to exhibit a remnant of a nuclear rainbow at E=20 Mev/N, are analysed with theory which is built directly on a model for the S-matrix. Simple relations between the fit S-matrix and the underlying complex potential are derived. (Author) [pt
Various semiclassical limits of torus conformal blocks
Energy Technology Data Exchange (ETDEWEB)
Alkalaev, Konstantin [I.E. Tamm Department of Theoretical Physics, P.N. Lebedev Physical Institute,Leninsky ave. 53, Moscow, 119991 (Russian Federation); Department of General and Applied Physics, Moscow Institute of Physics and Technology,Institutskiy per. 7, Dolgoprudnyi, Moscow region, 141700 (Russian Federation); Geiko, Roman [Mathematics Department, National Research University Higher School of Economics,Usacheva str. 6, Moscow, 119048 (Russian Federation); Rappoport, Vladimir [I.E. Tamm Department of Theoretical Physics, P.N. Lebedev Physical Institute,Leninsky ave. 53, Moscow, 119991 (Russian Federation); Department of Quantum Physics, Institute for Information Transmission Problems,Bolshoy Karetny per. 19, Moscow, 127994 (Russian Federation)
2017-04-12
We study four types of one-point torus blocks arising in the large central charge regime. There are the global block, the light block, the heavy-light block, and the linearized classical block, according to different regimes of conformal dimensions. It is shown that the blocks are not independent being connected to each other by various links. We find that the global, light, and heavy-light blocks correspond to three different contractions of the Virasoro algebra. Also, we formulate the c-recursive representation of the one-point torus blocks which is relevant in the semiclassical approximation.
Semiclassical expansions on and near caustics
International Nuclear Information System (INIS)
Meetz, K.
1984-09-01
We show that the standard WKB expansion can be generalized so that it reproduces the behavior of the wave function on and near a caustic in two-dimensional space time. The expansion is related to the unfolding polynomials of the elementary catastrophes occurring in two dimensions: the fold and the cusp catastrophe. The method determines control parameters and transport coefficients in a self-consistent way from differential equations and does not refer to the asymptotic expansion of Feynman path integrals. The lowest order equations are solved explicitly in terms of the multivalued classical action. The result is a generalized semiclassical approximation on and beyond a caustic. (orig.)
Semiclassical approach to black hole evaporation
International Nuclear Information System (INIS)
Lowe, D.A.
1993-01-01
Black hole evaporation may lead to massive or massless remnants, or naked singularities. This paper investigates this process in the context of two quite different two-dimensional black hole models. The first is the original Callan-Giddings-Harvey-Strominger (CGHS) model, the second is another two-dimensional dilaton-gravity model, but with properties much closer to physics in the real, four-dimensional, world. Numerical simulations are performed of the formation and subsequent evaporation of black holes and the results are found to agree qualitatively with the exactly solved modified CGHS models, namely, that the semiclassical approximation breaks down just before a naked singularity appears
Semi-classical scalar propagators in curved backgrounds: formalism and ambiguities
Energy Technology Data Exchange (ETDEWEB)
Grain, J. [Laboratory for Subatomic Physics and Cosmology, Grenoble Universites, CNRS, IN2P3, 53, avenue de Martyrs, 38026 Grenoble cedex (France)]|[AstroParticle and Cosmology, Universite Paris 7, CNRS, IN2P3, 10, rue Alice Domon et Leonie Duquet, 75205 Paris cedex 13 (France); Barrau, A. [Laboratory for Subatomic Physics and Cosmology, Grenoble Universites, CNRS, IN2P3, 53, avenue de Martyrs, 38026 Grenoble cedex (France)
2007-05-15
The phenomenology of quantum systems in curved space-times is among the most fascinating fields of physics, allowing - often at the Gedanken experiment level - constraints on tentative theories of quantum gravity. Determining the dynamics of fields in curved backgrounds remains however a complicated task because of the highly intricate partial differential equations involved, especially when the space metric exhibits no symmetry. In this article, we provide - in a pedagogical way - a general formalism to determine this dynamics at the semi-classical order. To this purpose, a generic expression for the semi-classical propagator is computed and the equation of motion for the probability four-current is derived. Those results underline a direct analogy between the computation of the propagator in general relativistic quantum mechanics and the computation of the propagator for stationary systems in non-relativistic quantum mechanics. (authors)
Semi-classical scalar propagators in curved backgrounds: formalism and ambiguities
International Nuclear Information System (INIS)
Grain, J.; Barrau, A.
2007-05-01
The phenomenology of quantum systems in curved space-times is among the most fascinating fields of physics, allowing - often at the Gedanken experiment level - constraints on tentative theories of quantum gravity. Determining the dynamics of fields in curved backgrounds remains however a complicated task because of the highly intricate partial differential equations involved, especially when the space metric exhibits no symmetry. In this article, we provide - in a pedagogical way - a general formalism to determine this dynamics at the semi-classical order. To this purpose, a generic expression for the semi-classical propagator is computed and the equation of motion for the probability four-current is derived. Those results underline a direct analogy between the computation of the propagator in general relativistic quantum mechanics and the computation of the propagator for stationary systems in non-relativistic quantum mechanics. (authors)
Dynamics of photoexcited quasiparticles in heavy electron compounds
International Nuclear Information System (INIS)
Demsar, Jure; Sarrao, John L; Taylor, Antoinette J
2006-01-01
Femtosecond real-time spectroscopy is an emerging new tool for studying low energy electronic structure in correlated electron systems. Motivated by recent advances in understanding the nature of relaxation phenomena in various correlated electron systems (superconductors, density wave systems) the technique has been applied to heavy electron compounds in comparison with their non-magnetic counterparts. While the dynamics in their non-magnetic analogues are similar to the dynamics observed in noble metals (only weak temperature dependences are observed) and can be treated with a simple two-temperature model, the photoexcited carrier dynamics in heavy electron systems show dramatic changes as a function of temperature and excitation level. In particular, below some characteristic temperature the relaxation rate starts to decrease, dropping by more than two orders of magnitude upon cooling down to liquid He temperatures. This behaviour has been consistently observed in various heavy fermion metals as well as Kondo insulators, and is believed to be quite general. In order to account for the experimental observations, two theoretical models have been proposed. The first treats the heavy electron systems as simple metals with very flat electron dispersion near the Fermi level. An electron-phonon thermalization scenario can account for the observed slowing down of the relaxation provided that there exists a mechanism for suppression of electron-phonon scattering when both the initial and final electronic states lie in the region of flat dispersion. An alternative scenario argues that the relaxation dynamics in heavy electron systems are governed by the Rothwarf-Taylor bottleneck, where the dynamics are governed by the presence of a narrow gap in the density of states near the Fermi level. The so-called hybridization gap results from hybridization between localized moments and the conduction electron background. Remarkable agreement with the model suggests that carrier
Electron dynamics in intentionally disordered semiconductor superlattices
International Nuclear Information System (INIS)
Diez, E.; Sanchez, A.; Dominguez-Adame, F.; Berman, G.P.
1996-01-01
We study the dynamical behavior of disordered quantum well-based semiconductor superlattices where the disorder is intentional and short-range correlated. We show that, whereas the transmission time of a particle grows exponentially with the number of wells in an usual disordered superlattice for any value of the incident particle energy, for specific values of the incident energy this time increases linearly when correlated disorder is included. As expected, those values of the energy coincide with a narrow subband of extended states predicted by the static calculations of Domacute inguez-Adame et al.[Phys. Rev. B 51, 14359 (1994)]; such states are seen in our dynamical results to exhibit a ballistic regime, very close to the WKB approximation of a perfect superlattice. Fourier transform of the output signal for an incident Gaussian wave packet reveals a dramatic filtering of the original signal, which makes us confident that devices based on this property may be designed and used for nanotechnological applications. This is more so in view of the possibility of controlling the output band using a dc-electric field, which we also discuss. In the conclusion we summarize our results and present an outlook for future developments arising from this work. copyright 1996 The American Physical Society
Imaging Electron Dynamics with Ultrashort Light Pulses: A Theory Perspective
Directory of Open Access Journals (Sweden)
Daria Popova-Gorelova
2018-02-01
Full Text Available A wide range of ultrafast phenomena in various atomic, molecular and condense matter systems is governed by electron dynamics. Therefore, the ability to image electronic motion in real space and real time would provide a deeper understanding of such processes and guide developments of tools to control them. Ultrashort light pulses, which can provide unprecedented time resolution approaching subfemtosecond time scale, are perspective to achieve real-time imaging of electron dynamics. This task is challenging not only from an experimental view, but also from a theory perspective, since standard theories describing light-matter interaction in a stationary regime can provide erroneous results in an ultrafast case as demonstrated by several theoretical studies. We review the theoretical framework based on quantum electrodynamics, which has been shown to be necessary for an accurate description of time-resolved imaging of electron dynamics with ultrashort light pulses. We compare the results of theoretical studies of time-resolved nonresonant and resonant X-ray scattering, and time- and angle-resolved photoelectron spectroscopy and show that the corresponding time-resolved signals encode analogous information about electron dynamics. Thereby, the information about an electronic system provided by these time-resolved techniques is different from the information provided by their time-independent analogues.
Stark broadening of the Hα line of hydrogen at low densities: quantal and semiclassical results
International Nuclear Information System (INIS)
Stehle, C.; Feautrier, N.
1984-01-01
Stark profiles of the Hα lines of hydrogen are computed at low densities in the 'impact' theory. By a comparison with quantal results, it is shown that a simple semiclassical perturbational approach with appropriate cutoffs is sufficient to give accurate profiles in the line centre. Neglecting the natural broadening and the fine-structure effects, the authors prove that the electronic broadening is negligible and that the profile has a Lorentzian shape. An analytical expression of the half width is given. (author)
Semiclassical versus exact quantization of the Sinh-Gordon model
Energy Technology Data Exchange (ETDEWEB)
Grossehelweg, Juliane
2009-12-15
In this work we investigate the semiclassics of the Sinh-Gordon model. The Sinh-Gordon model is integrable, its explicit solutions of the classical and the quantum model are well known. This allows for a comprehensive investigation of the semiclassical quantization of the classical model as well as of the semiclassical limit of the exact quantum solution. Semiclassical means in this case that the key objects of quantum theory are constructed as formal power series. A quantity playing an important role in the quantum theory is the Q-function. The purpose of this work is to investigate to what extend the classical integrability of the model admits of a construction of the semiclassical expansion of the Q-function. Therefore we used two conceptual independent approaches. In the one approach we start from the exact nonperturbative solution of the quantum model and calculate the semiclassical limit up to the next to leading order. Thereby we found the spectral curve, as well as the semiclassical expansion of the Q-function and of the eigenvalue of the monodromy matrix. In the other approach we constructed the first two orders of the semiclassical expansion of the Q-function, starting from the classical solution theory. The results of both approaches coincide. (orig.)
Dynamics of electrons and holes at surfaces
International Nuclear Information System (INIS)
Chulkov, E.V.; Leonardo, A.; Sklyadneva, I.Yu.; Silkin, V.M.
2007-01-01
We present ab initio calculation results for electron-phonon (e-ph) contribution to hole lifetime broadening of the X-bar surface state on Al(0 0 1). We show that e-ph coupling in this state is significantly stronger than in bulk Al at the Fermi level. It makes the e-ph decay channel very important in the formation of the hole decay in the surface state at X-bar. We also present the results for e-e lifetime broadening in a quantum-well state in 1 ML K/Cu(1 1 1). We show that this contribution is not negligible and is much larger than that in a surface state on Ag(1 1 1)
Superluminal warp drives are semiclassically unstable
Energy Technology Data Exchange (ETDEWEB)
Finazzi, S; Liberati, S [SISSA, via Beirut 2-4, Trieste 34151, Italy and INFN sezione di Trieste (Italy); Barcelo, C, E-mail: finazzi@sissa.i, E-mail: liberati@sissa.i, E-mail: carlos@iaa.e [Instituto de Astrofisica de AndalucIa, CSIC, Camino Bajo de Huetor 50, 18008 Granada (Spain)
2010-04-01
Warp drives are very interesting configurations of General Relativity: they provide a way to travel at superluminal speeds, albeit at the cost of requiring exotic matter to build them. Even if one succeeded in providing the necessary exotic matter, it would still be necessary to check whether they would survive to the switching on of quantum effects. Semiclassical corrections to warp-drive geometries created out of an initially flat spacetime have been analyzed in a previous work by the present authors in special locations, close to the wall of the bubble and in its center. Here, we present an exact numerical analysis of the renormalized stress-energy tensor (RSET) in the whole bubble. We find that the the RSET will exponentially grow in time close to the front wall of the superluminal bubble, after some transient terms have disappeared, hence strongly supporting our previous conclusion that the warp-drive geometries are unstable against semiclassical back-reaction. This result seems to implement the chronology protection conjecture, forbiddig the set up of a structure potentially dangerous for causality.
Semiclassical initial value approximation for Green's function.
Kay, Kenneth G
2010-06-28
A semiclassical initial value approximation is obtained for the energy-dependent Green's function. For a system with f degrees of freedom the Green's function expression has the form of a (2f-1)-dimensional integral over points on the energy surface and an integral over time along classical trajectories initiated from these points. This approximation is derived by requiring an integral ansatz for Green's function to reduce to Gutzwiller's semiclassical formula when the integrations are performed by the stationary phase method. A simpler approximation is also derived involving only an (f-1)-dimensional integral over momentum variables on a Poincare surface and an integral over time. The relationship between the present expressions and an earlier initial value approximation for energy eigenfunctions is explored. Numerical tests for two-dimensional systems indicate that good accuracy can be obtained from the initial value Green's function for calculations of autocorrelation spectra and time-independent wave functions. The relative advantages of initial value approximations for the energy-dependent Green's function and the time-dependent propagator are discussed.
Semiclassical S-matrix for black holes
Bezrukov, Fedor; Sibiryakov, Sergey
2015-01-01
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. 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-Nordstrom black hole. Our semiclassical method opens a new systematic approach to the gravitational S-matrix in the non-perturbative regime.
Semiclassical evolution of dissipative Markovian systems
International Nuclear Information System (INIS)
Ozorio de Almeida, A M; Rios, P de M; Brodier, O
2009-01-01
A semiclassical approximation for an evolving density operator, driven by a 'closed' Hamiltonian operator and 'open' Markovian Lindblad operators, is obtained. The theory is based on the chord function, i.e. the Fourier transform of the Wigner function. It reduces to an exact solution of the Lindblad master equation if the Hamiltonian operator is a quadratic function and the Lindblad operators are linear functions of positions and momenta. Initially, the semiclassical formulae for the case of Hermitian Lindblad operators are reinterpreted in terms of a (real) double phase space, generated by an appropriate classical double Hamiltonian. An extra 'open' term is added to the double Hamiltonian by the non-Hermitian part of the Lindblad operators in the general case of dissipative Markovian evolution. The particular case of generic Hamiltonian operators, but linear dissipative Lindblad operators, is studied in more detail. A Liouville-type equivariance still holds for the corresponding classical evolution in double phase space, but the centre subspace, which supports the Wigner function, is compressed, along with expansion of its conjugate subspace, which supports the chord function. Decoherence narrows the relevant region of double phase space to the neighbourhood of a caustic for both the Wigner function and the chord function. This difficulty is avoided by a propagator in a mixed representation, so that a further 'small-chord' approximation leads to a simple generalization of the quadratic theory for evolving Wigner functions
International Nuclear Information System (INIS)
Farasat, M; Golzan, M M; Shojaei, S H R; Morini, F; Deleuze, M S
2016-01-01
The electronic structure, electron binding energy spectrum and (e, 2e) momentum distributions of aniline have been theoretically predicted at an electron impact energy of 1.500 keV on the basis of Born–Oppenheimer molecular dynamical simulations, in order to account for thermally induced nuclear motions in the initial electronic ground state. Most computed momentum profiles are rather insensitive to thermally induced alterations of the molecular structure, with the exception of the profiles corresponding to two ionization bands at electron binding energies comprised between ∼10.0 and ∼12.0 eV (band C) and between ∼16.5 and ∼20.0 eV (band G). These profiles are found to be strongly influenced by nuclear dynamics in the electronic ground state, especially in the low momentum region. The obtained results show that thermal averaging smears out most generally the spectral fingerprints that are induced by nitrogen inversion. (paper)
International Nuclear Information System (INIS)
Miyabe, S.; Haxton, D. J.; Rescigno, T. N.; McCurdy, C. W.
2011-01-01
We report the results of semiclassical calculations of the asymmetric molecular-frame photoelectron angular distributions for C 1s ionization of CO 2 measured with respect to the CO + and O + ions produced by subsequent Auger decay, and show how the decay event can be used to probe ultrafast molecular dynamics of the transient cation. The fixed-nuclei photoionization amplitudes were constructed using variationally obtained electron-molecular-ion scattering wave functions. The amplitudes are then used in a semiclassical manner to investigate their dependence on the nuclear dynamics of the cation. The method introduced here can be used to study other core-level ionization events.
International Nuclear Information System (INIS)
Beck, W.A.
2000-01-01
The semiclassical model of atomic collisions, especially in different areas of the maximum stopping, when proton collides at the velocity of the boron order velocity, providing as the result for interactions of many bodies with an electron target, enabling application of the model with high degree of confidence to a clearly expressed experimental problem, such the antiproton capture on helium, is presented. The semiclassical collision model and stopping energy are considered. The stopping and capture of negatively-charged particles are investigated. The capture and angular moments of antiprotons, captures at the end of the collision cascade, are presented [ru
Spin dynamics in electron synchrotrons; Spindynamik in Elektronensynchrotronen
Energy Technology Data Exchange (ETDEWEB)
Schmidt, Jan Felix
2017-07-14
Providing spin polarized particle beams with circular accelerators requires the consideration of depolarizing resonances which may significantly reduce the desired degree of polarization at specific beam energies. The corresponding spin dynamical effects are typically analyzed with numerical methods. In case of electron beams the influence of the emission of synchrotron radiation has to be taken into account. On short timescales, as in synchrotrons with a fast energy ramp or in damping rings, spin dynamics are investigated with spin tracking algorithms. This thesis presents the spin tracking code Polematrix as a versatile tool to study the impact of synchrotron radiation on spin dynamics. Spin tracking simulations have been performed based on the well established particle tracking code Elegant. The numerical studies demonstrate effects which are responsible for beam depolarization: Synchrotron side bands of depolarizing resonances and decoherence of spin precession. Polematrix can be utilized for any electron accelerator with minimal effort as it imports lattice files from the tracking programs MAD-X or Elegant. Polematrix has been published as open source software. Currently, the Electron Stretcher Accelerator ELSA at Bonn University is the only electron synchrotron worldwide providing a polarized beam. Integer and intrinsic depolarizing resonances are compensated with dedicated countermeasures during the fast energy ramp. Polarization measurements from ELSA demonstrate the particular spin dynamics of electrons and confirm the results of the spin tracking code Polematrix.
Space-charge dynamics of polymethylmethacrylate under electron beam irradiation
Gong, H; Ong, C K
1997-01-01
Space-charge dynamics of polymethylmethacrylate (PMMA) under electron beam irradiation has been investigated employing a scanning electron microscope. Assuming a Gaussian space-charge distribution, the distribution range (sigma) has been determined using a time-resolved current method in conjunction with a mirror image method. sigma is found to increase with irradiation time and eventually attain a stationary value. These observations have been discussed by taking into account radiation-induced conductivity and charge mobility. (author)
Isolated sub-100-attosecond pulse generation via controlling electron dynamics
Lan, Pengfei; Lu, Peixiang; Cao, Wei; Li, Yuhua; Wang, Xinlin
2007-01-01
A new method to coherently control the electron dynamics is proposed using a few-cycle laser pulse in combination with a controlling field. It is shown that this method not only broadens the attosecond pulse bandwidth, but also reduces the chirp, then an isolated 80-as pulse is straightforwardly obtained and even shorter pulse is achievable by increasing the intensity of the controlling field. Such ultrashort pulses allow one to investigate ultrafast electronic processes which have never be a...
Jacob's ladder of approximations to paraxial dynamic electron scattering
Lubk, A.; Rusz, Jan
2015-01-01
Dynamical scattering theory describes the dominant scattering process of beam electrons at targets in the transmission electron microscope (TEM). Hence, practically every quantitative TEM study has to consider its ramifications, typically by some approximate modeling. Here, we elaborate on a hierarchy within the various approximations focusing on the two principal approaches used in practice, Bloch wave and multislice. We reveal characteristic differences in the capability of these methods to...
FEL small signal dynamics and electron beam prebunching
International Nuclear Information System (INIS)
Dattoli, G.
1993-01-01
A seed signal and/or a pre-bunched electron beam may provide the start up of a free electron laser (FEL). Recently, interest has grown around FEL's operating with pre-bunched electron beams; this paper is, therefore, devoted to the analysis of the dynamic features of FEL's operating in such a configuration. It exploits a slightly modified form of the FEL high gain equation to derive quantities of practical interest like the dependence of the system growth rate on the bunching coefficients
Towards a formal definition of static and dynamic electronic correlations.
Benavides-Riveros, Carlos L; Lathiotakis, Nektarios N; Marques, Miguel A L
2017-05-24
Some of the most spectacular failures of density-functional and Hartree-Fock theories are related to an incorrect description of the so-called static electron correlation. Motivated by recent progress in the N-representability problem of the one-body density matrix for pure states, we propose a method to quantify the static contribution to the electronic correlation. By studying several molecular systems we show that our proposal correlates well with our intuition of static and dynamic electron correlation. Our results bring out the paramount importance of the occupancy of the highest occupied natural spin-orbital in such quantification.
Modeling non-adiabatic photoexcited reaction dynamics in condensed phases
International Nuclear Information System (INIS)
Coker, D.F.
2003-01-01
Reactions of photoexcited molecules, ions, and radicals in condensed phase environments involve non-adiabatic dynamics over coupled electronic surfaces. We focus on how local environmental symmetries can effect non-adiabatic coupling between excited electronic states and thus influence, in a possibly controllable way, the outcome of photo-excited reactions. Semi-classical and mixed quantum-classical non-adiabatic molecular dynamics methods, together with semi-empirical excited state potentials are used to probe the dynamical mixing of electronic states in different environments from molecular clusters, to simple liquids and solids, and photo-excited reactions in complex reaction environments such as zeolites
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.
A semiclassical model for quark jet fragmentation
International Nuclear Information System (INIS)
Andersson, B.; Gustafson, G.; Peterson, C.
1979-01-01
A semiclassical model is presented for the way the energy of a fast quark is transformed into observable hadrons. It reproduces the features of 1+1 dimensional QED (the Schwinger model) concerning a flat rapidity distribution in the central region. It also reproduces results from phenomenological considerations, which, based upon scaling, predict that meson formation in the fragmentation region can be described by an iterative scheme, implying a set of coupled integral equations. In particular the model predicts that the probability to find a meson containing the leading quark is independent of the Feynman scaling variable z. The iterative structure corresponds to a Brownian motion with relevance both to the cofinement problems and to the distribution of mass in the quark jet. (orig.) [de
Semiclassical scar functions in phase space
International Nuclear Information System (INIS)
Rivas, Alejandro M F
2007-01-01
We develop a semiclassical approximation for the scar function in the Weyl-Wigner representation in the neighborhood of a classically unstable periodic orbit of chaotic two-dimensional systems. The prediction of hyperbolic fringes, asymptotic to the stable and unstable manifolds, is verified computationally for a (linear) cat map, after the theory is adapted to a discrete phase space appropriate to a quantized torus. Characteristic fringe patterns can be distinguished even for quasi-energies where the fixed point is not Bohr-quantized. Also the patterns are highly localized in the neighborhood of the periodic orbit and along its stable and unstable manifolds without any long distance patterns that appear for the case of the spectral Wigner function
Comparison of solvation dynamics of electrons in four polyols
Energy Technology Data Exchange (ETDEWEB)
Lampre, I.; Pernot, P.; Bonin, J. [Laboratoire de Chimie Physique/ELYSE, Universite Paris-Sud 11, UMR 8000, Bat. 349, Orsay F-91405 (France); CNRS, Orsay F-91405 (France); Mostafavi, M. [Laboratoire de Chimie Physique/ELYSE, Universite Paris-Sud 11, UMR 8000, Bat. 349, Orsay F-91405 (France); CNRS, Orsay F-91405 (France)], E-mail: mehran.mostafavi@lcp.u-psud.fr
2008-10-15
Using pump-probe transient absorption spectroscopy, we studied the solvation dynamics of the electron in liquid polyalcohols: ethane-1,2-diol, propane-1,2-diol, propane-1,3-diol and propane-1,2,3-triol. Time-resolved absorption spectra ranging from 440 to 720 nm were measured. Our study shows that the excess electron in the diols presents an intense and wide absorption band in the visible and near-IR spectral domain at early time after two-photon ionization of the neat solvent. Then, for the first tens of picoseconds, the electron spectrum shifts toward the blue domain and its bandwidth decreases as the red part of the initial spectrum rapidly drops, while the blue part hardly evolves. In contrast, in the triol, the absorption spectrum of the electron is early situated in the visible range after the pump pulse and then solely evolves in the red part. The Bayesian data analysis of the observed picosecond solvation dynamics with different models is in favor of a heterogeneous continuous relaxation. That is corroborated by the analogy between the change in the absorption band with increasing time or decreasing temperature. That tends to indicate a similar organization disorder of the solvent. Moreover, the electron solvation dynamics is very fast in propane-1,2,3-triol despite its high viscosity and highlight the role of the OH-group in that process.
Horizons of semiclassical black holes are cold
International Nuclear Information System (INIS)
Brustein, Ram; Medved, A.J.M.
2014-01-01
We calculate, using our recently proposed semiclassical framework, the quantum state of the Hawking pairs that are produced during the evaporation of a black hole (BH). Our framework adheres to the standard rules of quantum mechanics and incorporates the quantum fluctuations of the collapsing shell spacetime in Hawking’s original calculation, while accounting for back-reaction effects. We argue that the negative-energy Hawking modes need to be regularly integrated out; and so these are effectively subsumed by the BH and, as a result, the number of coherent negative-energy modes N_c_o_h at any given time is parametrically smaller than the total number of the Hawking particles N_t_o_t_a_l emitted during the lifetime of the BH. We find that N_c_o_h is determined by the width of the BH wavefunction and scales as the square root of the BH entropy. We also find that the coherent negative-energy modes are strongly entangled with their positive-energy partners. Previously, we have found that N_c_o_h is also the number of coherent outgoing particles and that information can be continually transferred to the outgoing radiation at a rate set by N_c_o_h. Our current results show that, while the BH is semiclassical, information can be released without jeopardizing the nearly maximal inside-out entanglement and imply that the state of matter near the horizon is approximately the vacuum. The BH firewall proposal, on the other hand, is that the state of matter near the horizon deviates substantially from the vacuum, starting at the Page time. We find that, under the usual assumptions for justifying the formation of a firewall, one does indeed form at the Page time. However, the possible loophole lies in the implicit assumption that the number of strongly entangled pairs can be of the same order of N_t_o_t_a_l
Horizons of semiclassical black holes are cold
Energy Technology Data Exchange (ETDEWEB)
Brustein, Ram [Department of Physics, Ben-Gurion University,Beer-Sheva 84105 (Israel); CAS, Ludwig-Maximilians-Universität München,80333 München (Germany); Medved, A.J.M. [Department of Physics & Electronics, Rhodes University,Grahamstown 6140 (South Africa)
2014-06-10
We calculate, using our recently proposed semiclassical framework, the quantum state of the Hawking pairs that are produced during the evaporation of a black hole (BH). Our framework adheres to the standard rules of quantum mechanics and incorporates the quantum fluctuations of the collapsing shell spacetime in Hawking’s original calculation, while accounting for back-reaction effects. We argue that the negative-energy Hawking modes need to be regularly integrated out; and so these are effectively subsumed by the BH and, as a result, the number of coherent negative-energy modes N{sub coh} at any given time is parametrically smaller than the total number of the Hawking particles N{sub total} emitted during the lifetime of the BH. We find that N{sub coh} is determined by the width of the BH wavefunction and scales as the square root of the BH entropy. We also find that the coherent negative-energy modes are strongly entangled with their positive-energy partners. Previously, we have found that N{sub coh} is also the number of coherent outgoing particles and that information can be continually transferred to the outgoing radiation at a rate set by N{sub coh}. Our current results show that, while the BH is semiclassical, information can be released without jeopardizing the nearly maximal inside-out entanglement and imply that the state of matter near the horizon is approximately the vacuum. The BH firewall proposal, on the other hand, is that the state of matter near the horizon deviates substantially from the vacuum, starting at the Page time. We find that, under the usual assumptions for justifying the formation of a firewall, one does indeed form at the Page time. However, the possible loophole lies in the implicit assumption that the number of strongly entangled pairs can be of the same order of N{sub total}.
Emulating Molecular Orbitals and Electronic Dynamics with Ultracold Atoms
Directory of Open Access Journals (Sweden)
Dirk-Sören Lühmann
2015-08-01
Full Text Available In recent years, ultracold atoms in optical lattices have proven their great value as quantum simulators for studying strongly correlated phases and complex phenomena in solid-state systems. Here, we reveal their potential as quantum simulators for molecular physics and propose a technique to image the three-dimensional molecular orbitals with high resolution. The outstanding tunability of ultracold atoms in terms of potential and interaction offer fully adjustable model systems for gaining deep insight into the electronic structure of molecules. We study the orbitals of an artificial benzene molecule and discuss the effect of tunable interactions in its conjugated π electron system with special regard to localization and spin order. The dynamical time scales of ultracold atom simulators are on the order of milliseconds, which allows for the time-resolved monitoring of a broad range of dynamical processes. As an example, we compute the hole dynamics in the conjugated π system of the artificial benzene molecule.
Second order semiclassics with self-generated magnetic fields
DEFF Research Database (Denmark)
Erdös, Laszlo; Fournais, Søren; Solovej, Jan Philip
2012-01-01
$ effectively determines the strength of the field. We consider the weak field regime with $\\beta h^{2}\\ge {const}>0$, where $h$ is the semiclassical parameter. For smooth potentials we prove that the semiclassical asymptotics of the total energy is given by the non-magnetic Weyl term to leading order...... with an error bound that is smaller by a factor $h^{1+\\e}$, i.e. the subleading term vanishes. However, for potentials with a Coulomb singularity the subleading term does not vanish due to the non-semiclassical effect of the singularity. Combined with a multiscale technique, this refined estimate is used...
Born-Oppenheimer Dynamics, Electronic Friction, and the Inclusion of Electron-Electron Interactions
Dou, Wenjie; Miao, Gaohan; Subotnik, Joseph E.
2017-07-01
We present a universal expression for the electronic friction as felt by a set of classical nuclear degrees of freedom (DOFs) coupled to a manifold of quantum electronic DOFs; no assumptions are made regarding the nature of the electronic Hamiltonian and electron-electron repulsions are allowed. Our derivation is based on a quantum-classical Liouville equation for the coupled electronic-nuclear motion, followed by an adiabatic approximation whereby electronic transitions are assumed to equilibrate faster than nuclear movement. The resulting form of friction is completely general, but does reduce to previously published expressions for the quadratic Hamiltonian (i.e., Hamiltonians without electronic correlation). At equilibrium, the second fluctuation-dissipation theorem is satisfied and the frictional matrix is symmetric. To demonstrate the importance of electron-electron correlation, we study electronic friction within the Anderson-Holstein model, where a proper treatment of electron-electron interactions shows signatures of a Kondo resonance and a mean-field treatment is completely inadequate.
Dynamics of coupled electron-nuclei-systems in laser fields
International Nuclear Information System (INIS)
Falge, Mirjam
2012-01-01
This work aimed at the theoretical analysis of high harmonic generation in molecules and the influence of coupled electron and nuclear dynamics on ultra-short pulse ionization processes. In the first part of this thesis, the isotope effect and influence of vibrational excitation on high harmonic generation were investigated for the isotope pairs H 2 O/D 2 O and H 2 /D 2 . It was shown that on the one hand high harmonic intensities strongly depend on the vibrational quantum number of the initial state of the water molecule and on the other hand the spectra of H 2 O and D 2 O exhibit a clear isotope effect for certain vibrationally excited states. Also it was shown that high harmonics of vibrationally excited states show an even more pronounced isotope effect than the ground state. The second and third part of this work treats the influence of coupled electron and nuclear dynamics on photoelectron spectra. In order to facilitate a numerically exact description of this dynamics, a simple one-dimensional model system (Shin-Metiu model) was used. It consists of only a single electronic and nuclear degree-of-freedom and allows for a switching between adiabatic and strongly non-adiabatic dynamics by its parameterization. This model served for the analysis of the dynamics of three different cases ranging from weak over intermediate to strong electron-nuclear coupling. To investigate the influence of non-adiabatic effects on photoelectron spectra, time-resolved photoelectron spectra were calculated applying two methods: a numerically exact treatment and an adiabatic approach neglecting the electron-nuclear coupling. Subsequently, the dependence of the efficiency of a non-adiabatic transition on the nuclear mass was analysed. To this end, the population dynamics and photoelectron spectra were calculated numerically exactly for a strong electron and nuclear coupling. Thereafter the asymmetry in forward and backward direction of time-resolved photoelectron spectra and the
Photocathode Optimization for a Dynamic Transmission Electron Microscope: Final Report
Energy Technology Data Exchange (ETDEWEB)
Ellis, P; Flom, Z; Heinselman, K; Nguyen, T; Tung, S; Haskell, R; Reed, B W; LaGrange, T
2011-08-04
The Dynamic Transmission Electron Microscope (DTEM) team at Harvey Mudd College has been sponsored by LLNL to design and build a test setup for optimizing the performance of the DTEM's electron source. Unlike a traditional TEM, the DTEM achieves much faster exposure times by using photoemission from a photocathode to produce electrons for imaging. The DTEM team's work is motivated by the need to improve the coherence and current density of the electron cloud produced by the electron gun in order to increase the image resolution and contrast achievable by DTEM. The photoemission test setup is nearly complete and the team will soon complete baseline tests of electron gun performance. The photoemission laser and high voltage power supply have been repaired; the optics path for relaying the laser to the photocathode has been finalized, assembled, and aligned; the internal setup of the vacuum chamber has been finalized and mostly implemented; and system control, synchronization, and data acquisition has been implemented in LabVIEW. Immediate future work includes determining a consistent alignment procedure to place the laser waist on the photocathode, and taking baseline performance measurements of the tantalum photocathode. Future research will examine the performance of the electron gun as a function of the photoemission laser profile, the photocathode material, and the geometry and voltages of the accelerating and focusing components in the electron gun. This report presents the team's progress and outlines the work that remains.
Shaheen, Basamat
2017-05-17
Understanding light-triggered charge carrier dynamics near photovoltaic-material surfaces and at interfaces has been a key element and one of the major challenges for the development of real-world energy devices. Visualization of such dynamics information can be obtained using the one-of-a-kind methodology of scanning ultrafast electron microscopy (S-UEM). Here, we address the fundamental issue of how the thickness of the absorber layer may significantly affect the charge carrier dynamics on material surfaces. Time-resolved snapshots indicate that the dynamics of charge carriers generated by electron impact in the electron-photon dynamical probing regime is highly sensitive to the thickness of the absorber layer, as demonstrated using CdSe films of different thicknesses as a model system. This finding not only provides the foundation for potential applications of S-UEM to a wide range of devices in the fields of chemical and materials research, but also has impact on the use and interpretation of electron beam-induced current for optimization of photoactive materials in these devices.
Electron-impact-ionization dynamics of S F6
Bull, James N.; Lee, Jason W. L.; Vallance, Claire
2017-10-01
A detailed understanding of the dissociative electron ionization dynamics of S F6 is important in the modeling and tuning of dry-etching plasmas used in the semiconductor manufacture industry. This paper reports a crossed-beam electron ionization velocity-map imaging study on the dissociative ionization of cold S F6 molecules, providing complete, unbiased kinetic energy distributions for all significant product ions. Analysis of these distributions suggests that fragmentation following single ionization proceeds via formation of S F5 + or S F3 + ions that then dissociate in a statistical manner through loss of F atoms or F2, until most internal energy has been liberated. Similarly, formation of stable dications is consistent with initial formation of S F4 2 + ions, which then dissociate on a longer time scale. These data allow a comparison between electron ionization and photoionization dynamics, revealing similar dynamical behavior. In parallel with the ion kinetic energy distributions, the velocity-map imaging approach provides a set of partial ionization cross sections for all detected ionic fragments over an electron energy range of 50-100 eV, providing partial cross sections for S2 +, and enables the cross sections for S F4 2 + from S F+ to be resolved.
Dissipation and energy balance in electronic dynamics of Na clusters
Vincendon, Marc; Suraud, Eric; Reinhard, Paul-Gerhard
2017-06-01
We investigate the impact of dissipation on the energy balance in the electron dynamics of metal clusters excited by strong electro-magnetic pulses. The dynamics is described theoretically by Time-Dependent Density-Functional Theory (TDDFT) at the level of Local Density Approximation (LDA) augmented by a self interaction correction term and a quantum collision term in Relaxation-Time Approximation (RTA). We evaluate the separate contributions to the total excitation energy, namely energy exported by electron emission, potential energy due to changing charge state, intrinsic kinetic and potential energy, and collective flow energy. The balance of these energies is studied as function of the laser parameters (frequency, intensity, pulse length) and as function of system size and charge. We also look at collisions with a highly charged ion and here at the dependence on the impact parameter (close versus distant collisions). Dissipation turns out to be small where direct electron emission prevails namely for laser frequencies above any ionization threshold and for slow electron extraction in distant collisions. Dissipation is large for fast collisions and at low laser frequencies, particularly at resonances. Contribution to the Topical Issue "Dynamics of Systems at the Nanoscale", edited by Andrey Solov'yov and Andrei Korol.
International Nuclear Information System (INIS)
Hatcher, Elizabeth; Soudackov, Alexander; Hammes-Schiffer, Sharon
2005-01-01
The dynamical aspects of a model proton-coupled electron transfer (PCET) reaction in solution are analyzed with molecular dynamics simulations. The rate for nonadiabatic PCET is expressed in terms of a time-dependent probability flux correlation function. The impact of the proton donor-acceptor and solvent dynamics on the probability flux is examined. The dynamical behavior of the probability flux correlation function is dominated by a solvent damping term that depends on the energy gap correlation function. The proton donor-acceptor motion does not impact the dynamical behavior of the probability flux correlation function but does influence the magnitude of the rate. The approximations previously invoked for the calculation of PCET rates are tested. The effects of solvent damping on the proton donor-acceptor vibrational motion are found to be negligible, and the short-time solvent approximation, in which only equilibrium fluctuations of the solvent are considered, is determined to be valid for these types of reactions. The analysis of PCET reactions is compared to previous analyses of single electron and proton transfer reactions. The dynamical behavior is qualitatively similar for all three types of reactions, but the time scale of the decay of the probability flux correlation function is significantly longer for single proton transfer than for PCET and single electron transfer due to a smaller solvent reorganization energy for proton transfer
The quantum dynamics of electronically nonadiabatic chemical reactions
Truhlar, Donald G.
1993-01-01
Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally
Directory of Open Access Journals (Sweden)
Hadi Arabshahi
2010-04-01
Full Text Available We have studied how electrons, initially in thermal equilibrium, drift under the action of an applied electric field within bulk zincblende InAsxP1-x, InAs and InP. Calculations are made using a non-parabolic effective-mass energy band model. Monte Carlo simulation includes all of the major scattering mechanisms. The band parameters used in the simulation are extracted from optimised pseudo-potential band calculations to ensure excellent agreement with experimental information and ab-initio band models. The effects of alloy scattering on the electron transport physics are examined. For all materials, it is found that electron velocity overshoot only occurs when the electric field is increased to a value above a certain critical field, unique to each material. This critical field is strongly dependent on the material parameters. Transient velocity overshoot has also been simulated, with the sudden application of fields up to 1600 kVm-1, appropriate to the gate-drain fields expected within an operational field-effect transistor. The electron drift velocity relaxes to the saturation value of about 1.5105 ms-1 within 4 pico-seconds for all crystal structures. The steady-state and transient velocity overshoot characteristics are in fair agreement with other recent calculations.
Dynamics of two-electron excitations in helium
Energy Technology Data Exchange (ETDEWEB)
Caldwell, C.D.; Menzel, A.; Frigo, S.P. [Univ. of Central Florida, Orlando, FL (United States)] [and others
1997-04-01
Excitation of both electrons in helium offers a unique window for studying electron correlation at the most basic level in an atom in which these two electrons and the nucleus form a three-body system. The authors utilized the first light available at the U-8 undulator-SGM monochromator beamline to investigate the dynamic parameters, partial cross sections, differential cross sections, and photoelectron angular distribution parameters ({beta}), with a high resolving power for the photon beam and at the highly differential level afforded by the use of their electron spectrometer. In parallel, they carried out detailed calculations of the relevant properties by a theoretical approach that is based on the hyperspherical close-coupling method. Partial photoionization cross sections {sigma}{sub n}, and photoelectron angular distributions {beta}{sub n} were measured for all possible final ionic states He{sup +}(n) in the region of the double excitations N(K,T){sup A} up to the N=5 threshold. At a photon energy bandpass of 12 meV below the thresholds N=3, 4, and 5, this level of differentiation offers the most critical assessment of the dynamics of the two-electron excitations to date. The experimental data were seen to be very well described by the most advanced theoretical calculations.
Isolated sub-100-as pulse generation via controlling electron dynamics
International Nuclear Information System (INIS)
Lan Pengfei; Lu Peixiang; Cao Wei; Li Yuhua; Wang Xinlin
2007-01-01
A method to coherently control electron dynamics is proposed using a few-cycle laser pulse in combination with a controlling field. It is shown that this method not only broadens the attosecond pulse bandwidth, but also reduces the chirp; thus an isolated 80-as pulse is straightforwardly obtained, and even shorter pulses are achievable by increasing the intensity of the controlling field. Such ultrashort pulses allow one to investigate ultrafast electronic processes. In addition, the few-cycle synthesized pulse is expected to be useful for manipulating a wide range of laser-atom interactions
Reaction dynamics of electronically excited alkali atoms with simpler molecules
International Nuclear Information System (INIS)
Weiss, P.S.; Mestdagh, J.M.; Schmidt, H.; Vernon, M.F.; Covinsky, M.H.; Balko, B.A.; Lee, Y.T.
1985-05-01
The reactions of electronically excited sodium atoms with simple molecules have been studied in crossed molecular beams experiments. Electronically excited Na(3 2 P/sub 3/2/, 4 2 D/sub 5/2/, and 5 2 S/sub 1/2/) were produced by optical pumping using single frequency dye lasers. The effects of the symmetry, and the orientation and alignment of the excited orbital on the chemical reactivity, and detailed information on the reaction dynamics were derived from measurements of the product angular and velocity distributions. 12 refs., 9 figs
Energy Technology Data Exchange (ETDEWEB)
Berkolaiko, G., E-mail: berko@math.tamu.edu [Department of Mathematics, Texas A and M University, College Station, Texas 77843-3368 (United States); Kuipers, J., E-mail: Jack.Kuipers@physik.uni-regensburg.de [Institut für Theoretische Physik, Universität Regensburg, D-93040 Regensburg (Germany)
2013-11-15
To study electronic transport through chaotic quantum dots, there are two main theoretical approaches. One involves substituting the quantum system with a random scattering matrix and performing appropriate ensemble averaging. The other treats the transport in the semiclassical approximation and studies correlations among sets of classical trajectories. There are established evaluation procedures within the semiclassical evaluation that, for several linear and nonlinear transport moments to which they were applied, have always resulted in the agreement with random matrix predictions. We prove that this agreement is universal: any semiclassical evaluation within the accepted procedures is equivalent to the evaluation within random matrix theory. The equivalence is shown by developing a combinatorial interpretation of the trajectory sets as ribbon graphs (maps) with certain properties and exhibiting systematic cancellations among their contributions. Remaining trajectory sets can be identified with primitive (palindromic) factorisations whose number gives the coefficients in the corresponding expansion of the moments of random matrices. The equivalence is proved for systems with and without time reversal symmetry.
Numerical indications on the semiclassical limit of the flipped vertex
Energy Technology Data Exchange (ETDEWEB)
Magliaro, Elena; Perini, Claudio; Rovelli, Carlo [Centre de Physique Theorique de Luminy , Case 907, F-13288 Marseille (France)
2008-05-07
We introduce a technique for testing the semiclassical limit of a quantum gravity vertex amplitude. The technique is based on the propagation of a semiclassical wave packet. We apply this technique to the newly introduced 'flipped' vertex in loop quantum gravity, in order to test the intertwiner dependence of the vertex. Under some drastic simplifications, we find very preliminary, but surprisingly good numerical evidence for the correct classical limit.
Energy Technology Data Exchange (ETDEWEB)
Mouchet, A
1996-11-29
This thesis is made of four chapters. The first chapter is devoted to the description of the band structure, using the semiclassical periodic orbit theory, for a one electron system in a two-dimensional crystal with a high magnetic field perpendicular to the crystal plane. Complex orbits turn out to be fundamental for a proper description of the band structure since they incorporate conduction processes through tunneling mechanisms. In the second part, the author focuses on the role played in semiclassical expansions by complex orbits. They give exponentially small contribution when h is small only in a precise situation. In all other cases, complex orbits give birth to corrections in powers in h but unlike the extreme case they are hidden in the shadow of usual Gutzwiller contributions of real orbits. In the third chapter, a semiclassical expansion of the Berry two-form in terms of finite number of periodic orbits for a discrete chaotic map defined on a compact phase space and governed by external parameters is given. Besides, when dealing with a toroidal geometry, the author gives a similar expansion for the Chern index of any Bloch band of the quasi-energy spectrum and is thus led to a semiclassical interpretation of the Hall effect. In the last chapter, the author sets out a mechanism to explain how symmetries can create Berry phase shifts higher than 2{pi} in a 3D-adiabatic transport. He shows how one can understand in a topological point of view why these shifts are necessarily integer multiple of 2{pi}. An explicit construction of such arbitrary large phase shifts is finally proposed. (N.T.).
Shaheen, Basamat; Sun, Jingya; Yang, Ding-Shyue; Mohammed, Omar F.
2017-01-01
information can be obtained using the one-of-a-kind methodology of scanning ultrafast electron microscopy (S-UEM). Here, we address the fundamental issue of how the thickness of the absorber layer may significantly affect the charge carrier dynamics
Dynamic analysis of electron density in the course of the internal motion of molecular system
International Nuclear Information System (INIS)
Tachibana, A.; Hori, K.; Asai, Y.; Yamabe, T.
1984-01-01
The general dynamic aspect of electron density of a molecular system is studied on the basis of the general equation of the electron orbital which is formulated for the dynamic study of electronic motion. The newly defined electron orbital incorporates the dynamics of molecular vibration into the electronic structures. In this scheme, the change of electron distribution caused by excitation of vibrational state is defined as the ''dynamic electron transfer.'' The dynamic electron density is found to have the remarkable ''additive'' property. The time-dependent aspect of the dynamic electron redistribution is also analyzed on the basis of the ''coherent state.'' The new method relates the classical vibrational amplitude to the quantum number of the vibrational state. As a preliminary application of the present treatment, the dynamic electron densities of H 2 , HD, HT, HF, and HCl molecules are calculated by use of ab initio molecular orbital method
How can attosecond pulse train interferometry interrogate electron dynamics?
Arnold, C. L.; Isinger, M.; Busto, D.; Guénot, D.; Nandi, S.; Zhong, S.; Dahlström, J. M.; Gisselbrecht, M.; l'Huillier, A.
2018-04-01
Light pulses of sub-100 as (1 as=10-18 s) duration, with photon energies in the extreme-ultraviolet (XUV) spectral domain, represent the shortest event in time ever made and controlled by human beings. Their first experimental observation in 2001 has opened the door to investigating the fundamental dynamics of the quantum world on the natural time scale for electrons in atoms, molecules and solids and marks the beginning of the scientific field now called attosecond science.
Spectral line shape simulation for electron stark-broadening of ion emitters in plasmas
International Nuclear Information System (INIS)
Dufour, Emmanuelle; Calisti, Annette; Talin, Bernard; Gigosos, Marco A.; Gonzalez, Manuel A.; Dufty, Jim W.
2002-01-01
Electron broadening for ions in plasmas is investigated in the framework of a simplified semi-classical model involving an ionic emitter imbedded in an electron gas. A regularized Coulomb potential that removes the divergence at short distances is postulated for the ion-electron interaction. Line shape simulations based on Molecular Dynamics for the ion impurity and the electrons, accounting for all the correlations, are reported. Comparisons with line shapes obtained with a quasi-particle model show expected correlation effects. Through an analysis of the results with the line shape code PPP, it is inferred that the correlation effect results mainly from the microfield dynamic properties
Semi-classical theory of fluctuations in nuclear matter
International Nuclear Information System (INIS)
Benhassine, B.
1994-01-01
At intermediate energies the heavy ion collisions can be studied within the framework of a semi-classical approach based on the Vlasov-Uehling-Uhlenbeck (VUU) equation. Such an approach reduces the N-body problem to its description in terms of the one-body distribution function and constitutes the basis of several successful simulation models. Our aim in this work is to extend these average approaches to treat fluctuations. Within the framework of a linear approximation, we derived a Fokker-Planck transport equation in the one-body phase space. When it is reduced to its first moments, one recovers the VUU equation for the average dynamics together with the time evolution equation for the correlations. The collective transport coefficients are then obtained by projection on the one-body collective space. Independently, using a projection method introduced by Van Kampen, based on the constants of motion, we deduce the stationary expressions for the covariance matrix in phase space. We extract then, the equilibrium dispersions of one-body observables in a homogeneous case and in a spherical symmetric one. These results are compared with two types of simulation models in a relaxation time approximation. In the first one which is of Lagrangian type, the collective transport coefficients are directly extracted from the simulation and consequently the numerical fluctuations are washed out. The second model, due to its Eulerian character, allows us to make a microscopical comparison. (author)
Electron dynamics during substorm dipolarization in Mercury's magnetosphere
Directory of Open Access Journals (Sweden)
D. C. Delcourt
2005-11-01
Full Text Available We examine the nonlinear dynamics of electrons during the expansion phase of substorms at Mercury using test particle simulations. A simple model of magnetic field line dipolarization is designed by rescaling a magnetic field model of the Earth's magnetosphere. The results of the simulations demonstrate that electrons may be subjected to significant energization on the time scale (several seconds of the magnetic field reconfiguration. In a similar manner to ions in the near-Earth's magnetosphere, it is shown that low-energy (up to several tens of eV electrons may not conserve the second adiabatic invariant during dipolarization, which leads to clusters of bouncing particles in the innermost magnetotail. On the other hand, it is found that, because of the stretching of the magnetic field lines, high-energy electrons (several keVs and above do not behave adiabatically and possibly experience meandering (Speiser-type motion around the midplane. We show that dipolarization of the magnetic field lines may be responsible for significant, though transient, (a few seconds precipitation of energetic (several keVs electrons onto the planet's surface. Prominent injections of energetic trapped electrons toward the planet are also obtained as a result of dipolarization. These injections, however, do not exhibit short-lived temporal modulations, as observed by Mariner-10, which thus appear to follow from a different mechanism than a simple convection surge.
Consideration of Relativistic Dynamics in High-Energy Electron Coolers
Bruhwiler, David L
2005-01-01
A proposed electron cooler for RHIC would use ~55 MeV electrons to cool fully-ionized 100 GeV/nucleon gold ions.* At two locations in the collider ring, the electrons and ions will co-propagate for ~13 m, with velocities close to c and gamma>100. To lowest-order, one can Lorentz transform all physical quantities into the beam frame and calculate the dynamical friction forces assuming a nonrelativisitc, electrostatic plasma. However, we show that nonlinear space charge forces of the bunched electron beam on the ions must be calculated relativistically, because an electrostatic beam-frame calculation is not valid for such short interaction times. The validity of nonrelativistic friction force calculations must also be considered. Further, the transverse thermal velocities of the high-charge (~20 nC) electron bunch are large enough that some electrons have marginally relativistic velocities, even in the beam frame. Hence, we consider relativistic binary collisions treating the model problem of ...
Nonadiabatic dynamics of electron injection into organic molecules
International Nuclear Information System (INIS)
Zhu Li-Ping; Qiu Yu; Tong Guo-Ping
2012-01-01
We numerically investigate the injection process of electrons from metal electrodes to one-dimensional organic molecules by combining the extended Su—Schrieffer—Heeger (SSH) model with a nonadiabatic dynamics method. It is found that a match between the Fermi level of electrodes and the highest occupied molecular orbital (HOMO) or the lowest unoccupied molecular orbital (LUMO) of organic molecules can be greatly affected by the length of the organic chains, which has a great impact on electron injection. The correlation between oligomers and electrodes is found to open more efficient channels for electron injection as compared with that in polymer/electrode structures. For oligomer/electrode structures, we show that the Schottky barrier essentially does not affect the electron injection as the electrode work function is smaller than a critical value. This means that the Schottky barrier is pinned for a small work-function electrode. For polymer/electrode structures, we find that it is possible for the Fermi level of electrodes to be pinned to the polaronic level. The condition under which the Fermi level of electrodes exceeds the polaronic level of polymers is shown to not always lead to spontaneous electron transfer from electrodes to polymers. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Strongly coupled semiclassical plasma: interaction model and some properties
International Nuclear Information System (INIS)
Baimbetov, N.F.; Bekenov, N.A.
1999-01-01
In the report a fully ionized strongly coupled hydrogen plasma is considered. The density number is considered within range n=n e =n i ≅(10 21 -2·10 25 )sm -3 , and the temperature domian is T≅(5·10 4 -10 6 ) K. The coupling parameter Γ is defined by Γ=e 2 /αk B T, where k B is the Boltzmann constant and e is electrical charge, α=(3/4πn) 1/3 is the average distance between the particles (Wigner-Seitz radius). The dimensionless density parameter r s =α/α B is given in terms of the Bohr radius α B =ℎ 2 /me 2 ∼0.529·10 - 8 sm. The degeneracy parameter for the electron was defined by the ratio between the thermal energy k B T and the Fermi energy E F :Θ=k B T/E F ∼0.54·r s /Γ. The intermediate temperature-density region, where Γ≥1; Θ≅1; T>13.6 eV is examined. A semiclassical effective potential which account for the short-range, quantum diffraction and symmetry effects of charge carriers screening
Semiclassical methods in solid state physics : two examples
Bellissard, Jean; Barelli, Armelle
1993-02-01
We present here a review of two problems motivated by 2D models for high T, superconductivity. The first part concerns the energy spectrum of 2D Bloch electrons in a uniform magnetic field. A semiclassical analysis provides a qualitative as well as a quantitative understanding of this spectrum. In the second part we make the case for the application of “Quantum Chaos" to strongly correlated fermion systems. It is illustrated by the level spacing distribution for the t - J model in two dimensions. Ce travail est une revue de deux problèmes motivés par l'étude des modèles bidimensionnels pour la supraconductivité à haute température critique. La première partie concerne l'étude du spectre d'énergie pour des électrons de Bloch bidimensionnels soumis à un champ magnétique uniforme. Une analyse semi-classique permet d'en comprendre les propriétés qualitatives et quantitatives. La deuxième partie est un plaidoyer pour l'utilisation des méthodes du “Chaos Quantique" dans l'étude des systèmes de fermions fortement corrélés. La distribution des écarts de niveaux d'un modèle t - J en deux dimensions, en fournit une illustration.
Quantum dynamics and electronic spectroscopy within the framework of wavelets
International Nuclear Information System (INIS)
Toutounji, Mohamad
2013-01-01
This paper serves as a first-time report on formulating important aspects of electronic spectroscopy and quantum dynamics in condensed harmonic systems using the framework of wavelets, and a stepping stone to our future work on developing anharmonic wavelets. The Morlet wavelet is taken to be the mother wavelet for the initial state of the system of interest. This work reports daughter wavelets that may be used to study spectroscopy and dynamics of harmonic systems. These wavelets are shown to arise naturally upon optical electronic transition of the system of interest. Natural birth of basis (daughter) wavelets emerging on exciting an electronic two-level system coupled, both linearly and quadratically, to harmonic phonons is discussed. It is shown that this takes place through using the unitary dilation and translation operators, which happen to be part of the time evolution operator of the final electronic state. The corresponding optical autocorrelation function and linear absorption spectra are calculated to test the applicability and correctness of the herein results. The link between basis wavelets and the Liouville space generating function is established. An anharmonic mother wavelet is also proposed in the case of anharmonic electron–phonon coupling. A brief description of deriving anharmonic wavelets and the corresponding anharmonic Liouville space generating function is explored. In conclusion, a mother wavelet (be it harmonic or anharmonic) which accounts for Duschinsky mixing is suggested. (paper)
Electron-impact ionization of atomic hydrogen: dynamical variational treatment
Energy Technology Data Exchange (ETDEWEB)
Defrance, P.; Lecointre, J. [Institute of Condensed Matter and Nanosciences, Universite Catholique de Louvain, Louvain-la-Neuve (Belgium); Kereselidze, T.; Machavariani, Z.S. [Department of Exact and Natural Sciences, Tbilissi State University, Tbilissi (Georgia)
2011-10-15
A simple and straightforward calculating scheme is proposed for electron-impact single and multiple ionization of atoms. The method is based on the application of the Hulthen-Kohn dynamical variational principle. An effective charge seen by the scattered electron is determined for a certain type of trial wave functions mathematically in a rigorous way excluding any empirical assumptions. Validity of the elaborated approach is assessed by calculating triply differential cross section (TDCS) for electron-impact ionization of hydrogen. It is shown that, inclusion of the effective charge into the calculation reduces height of a 'binary peak' in comparison with the first Born approximation result. The height of a 'recoil peak' depends on the sign of the effective charge. The calculated TDCS are compared with the available experimental data and with the results of sophisticated theories and agreement is found. (authors)
Diagnosis and dynamics of low energy electron beams using DIADYN
International Nuclear Information System (INIS)
Marghitu, S.; Oproiu, C.; Toader, D.; Ruset, C.; Grigore, E.; Marghitu, O.; Vasiliu, M.
2008-01-01
The paper presents original results concerning electron beam diagnosis and dynamics using DIADYN, a low energy (10 - 50 kV), medium intensity (0.1 - 1 A) laboratory equipment. A key stage in the operation of DIADYN is the beam diagnosis, performed by the non-destructive, modified three-gradient method (MTGM). We concentrate on the better use of experimental and computational techniques, in order to improve the consistency of the results. At present, DIADYN is equipped with a hot filament vacuum electron source (VES), consisting of a convergent Pierce diode, working in a pulse mode. Since the plasma electron sources (PES) have a longer lifetime and produce higher beam currents, we discuss the possibility to replace the VES with a PES. Special attention is given to VES results in a functioning regime typical for a low energy glow discharge PES. (authors)
Diagnosis and dynamics of low energy electron beams using DIADYN
Energy Technology Data Exchange (ETDEWEB)
Marghitu, S [Electrostatica, ICPE-CA S.A., Spaiul Unirii 313, Sector 3, RO-74204 Bucharest (Romania); Oproiu, C; Toader, D; Ruset, C; Grigore, E [National Institute for Laser, Plasma and Radiation Physics, PO Box MG-36, 409 Atomistilor Street, RO-76900 Bucharest-Magurele (Romania); Marghitu, O [Institute for Space Sciences, INCDLPFR, PO Box MG-23, RO-76911 Bucharest-Magurele (Romania); Vasiliu, M [Politehnica University, 313 Splaiul Independentei, RO-060032, Bucharest (Romania)
2008-07-01
The paper presents original results concerning electron beam diagnosis and dynamics using DIADYN, a low energy (10 - 50 kV), medium intensity (0.1 - 1 A) laboratory equipment. A key stage in the operation of DIADYN is the beam diagnosis, performed by the non-destructive, modified three-gradient method (MTGM). We concentrate on the better use of experimental and computational techniques, in order to improve the consistency of the results. At present, DIADYN is equipped with a hot filament vacuum electron source (VES), consisting of a convergent Pierce diode, working in a pulse mode. Since the plasma electron sources (PES) have a longer lifetime and produce higher beam currents, we discuss the possibility to replace the VES with a PES. Special attention is given to VES results in a functioning regime typical for a low energy glow discharge PES. (authors)
Classical, Semi-classical and Quantum Noise
Poor, H; Scully, Marlan
2012-01-01
David Middleton was a towering figure of 20th Century engineering and science and one of the founders of statistical communication theory. During the second World War, the young David Middleton, working with Van Fleck, devised the notion of the matched filter, which is the most basic method used for detecting signals in noise. Over the intervening six decades, the contributions of Middleton have become classics. This collection of essays by leading scientists, engineers and colleagues of David are in his honor and reflect the wide influence that he has had on many fields. Also included is the introduction by Middleton to his forthcoming book, which gives a wonderful view of the field of communication, its history and his own views on the field that he developed over the past 60 years. Focusing on classical noise modeling and applications, Classical, Semi-Classical and Quantum Noise includes coverage of statistical communication theory, non-stationary noise, molecular footprints, noise suppression, Quantum e...
International Nuclear Information System (INIS)
Gladkikh, P.I.; Telegin, Yu.N.; Karnaukhov, I.M.
2002-01-01
The feasibility of the development of intense X-ray sources based on Compton scattering in laser-electron storage rings is discussed. The results of the electron beam dynamics simulation involving Compton and intrabeam scattering are presented
Gladkikh, P I; Karnaukhov, I M
2002-01-01
The feasibility of the development of intense X-ray sources based on Compton scattering in laser-electron storage rings is discussed. The results of the electron beam dynamics simulation involving Compton and intrabeam scattering are presented.
Semiclassical treatment of transport and spin relaxation in spin-orbit coupled systems
Energy Technology Data Exchange (ETDEWEB)
Lueffe, Matthias Clemens
2012-02-10
The coupling of orbital motion and spin, as derived from the relativistic Dirac equation, plays an important role not only in the atomic spectra but as well in solid state physics. Spin-orbit interactions are fundamental for the young research field of semiconductor spintronics, which is inspired by the idea to use the electron's spin instead of its charge for fast and power saving information processing in the future. However, on the route towards a functional spin transistor there is still some groundwork to be done, e.g., concerning the detailed understanding of spin relaxation in semiconductors. The first part of the present thesis can be placed in this context. We have investigated the processes contributing to the relaxation of a particularly long-lived spin-density wave, which can exist in semiconductor heterostructures with Dresselhaus and Rashba spin-orbit coupling of precisely the same magnitude. We have used a semiclassical spindiffusion equation to study the influence of the Coulomb interaction on the lifetime of this persistent spin helix. We have thus established that, in the presence of perturbations that violate the special symmetry of the problem, electron-electron scattering can have an impact on the relaxation of the spin helix. The resulting temperature-dependent lifetime reproduces the experimentally observed one in a satisfactory manner. It turns out that cubic Dresselhaus spin-orbit coupling is the most important symmetry-breaking element. The Coulomb interaction affects the dynamics of the persistent spin helix also via an Hartree-Fock exchange field. As a consequence, the individual spins precess about the vector of the surrounding local spin density, thus causing a nonlinear dynamics. We have shown that, for an experimentally accessible degree of initial spin polarization, characteristic non-linear effects such as a dramatic increase of lifetime and the appearance of higher harmonics can be expected. Another fascinating solid
Electron beam dynamics in an ultrafast transmission electron microscope with Wehnelt electrode.
Bücker, K; Picher, M; Crégut, O; LaGrange, T; Reed, B W; Park, S T; Masiel, D J; Banhart, F
2016-12-01
High temporal resolution transmission electron microscopy techniques have shown significant progress in recent years. Using photoelectron pulses induced by ultrashort laser pulses on the cathode, these methods can probe ultrafast materials processes and have revealed numerous dynamic phenomena at the nanoscale. Most recently, the technique has been implemented in standard thermionic electron microscopes that provide a flexible platform for studying material's dynamics over a wide range of spatial and temporal scales. In this study, the electron pulses in such an ultrafast transmission electron microscope are characterized in detail. The microscope is based on a thermionic gun with a Wehnelt electrode and is operated in a stroboscopic photoelectron mode. It is shown that the Wehnelt bias has a decisive influence on the temporal and energy spread of the picosecond electron pulses. Depending on the shape of the cathode and the cathode-Wehnelt distance, different emission patterns with different pulse parameters are obtained. The energy spread of the pulses is determined by space charge and Boersch effects, given by the number of electrons in a pulse. However, filtering effects due to the chromatic aberrations of the Wehnelt electrode allow the extraction of pulses with narrow energy spreads. The temporal spread is governed by electron trajectories of different length and in different electrostatic potentials. High temporal resolution is obtained by excluding shank emission from the cathode and aberration-induced halos in the emission pattern. By varying the cathode-Wehnelt gap, the Wehnelt bias, and the number of photoelectrons in a pulse, tradeoffs between energy and temporal resolution as well as beam intensity can be made as needed for experiments. Based on the characterization of the electron pulses, the optimal conditions for the operation of ultrafast TEMs with thermionic gun assembly are elaborated. Copyright © 2016 Elsevier B.V. All rights reserved.
Pulsed Power for a Dynamic Transmission Electron Microscope
Energy Technology Data Exchange (ETDEWEB)
dehope, w j; browning, n; campbell, g; cook, e; king, w; lagrange, t; reed, b; stuart, b; Shuttlesworth, R; Pyke, B
2009-06-25
Lawrence Livermore National Laboratory (LLNL) has converted a commercial 200kV transmission electron microscope (TEM) into an ultrafast, nanoscale diagnostic tool for material science studies. The resulting Dynamic Transmission Electron Microscope (DTEM) has provided a unique tool for the study of material phase transitions, reaction front analyses, and other studies in the fields of chemistry, materials science, and biology. The TEM's thermionic electron emission source was replaced with a fast photocathode and a laser beam path was provided for ultraviolet surface illumination. The resulting photoelectron beam gives downstream images of 2 and 20 ns exposure times at 100 and 10 nm spatial resolution. A separate laser, used as a pump pulse, is used to heat, ignite, or shock samples while the photocathode electron pulses, carefully time-synchronized with the pump, function as probe in fast transient studies. The device functions in both imaging and diffraction modes. A laser upgrade is underway to make arbitrary cathode pulse trains of variable pulse width of 10-1000 ns. Along with a fast e-beam deflection scheme, a 'movie mode' capability will be added to this unique diagnostic tool. This talk will review conventional electron microscopy and its limitations, discuss the development and capabilities of DTEM, in particularly addressing the prime and pulsed power considerations in the design and fabrication of the DTEM, and conclude with the presentation of a deflector and solid-state pulser design for Movie-Mode DTEM.
Pulsed Power for a Dynamic Transmission Electron Microscope
International Nuclear Information System (INIS)
DeHope, W.J.; Browning, N.; Campbell, G.; Cook, E.; King, W.; Lagrange, T.; Reed, B.; Stuart, B.; Shuttlesworth, R.; Pyke, B.
2009-01-01
Lawrence Livermore National Laboratory (LLNL) has converted a commercial 200kV transmission electron microscope (TEM) into an ultrafast, nanoscale diagnostic tool for material science studies. The resulting Dynamic Transmission Electron Microscope (DTEM) has provided a unique tool for the study of material phase transitions, reaction front analyses, and other studies in the fields of chemistry, materials science, and biology. The TEM's thermionic electron emission source was replaced with a fast photocathode and a laser beam path was provided for ultraviolet surface illumination. The resulting photoelectron beam gives downstream images of 2 and 20 ns exposure times at 100 and 10 nm spatial resolution. A separate laser, used as a pump pulse, is used to heat, ignite, or shock samples while the photocathode electron pulses, carefully time-synchronized with the pump, function as probe in fast transient studies. The device functions in both imaging and diffraction modes. A laser upgrade is underway to make arbitrary cathode pulse trains of variable pulse width of 10-1000 ns. Along with a fast e-beam deflection scheme, a 'movie mode' capability will be added to this unique diagnostic tool. This talk will review conventional electron microscopy and its limitations, discuss the development and capabilities of DTEM, in particularly addressing the prime and pulsed power considerations in the design and fabrication of the DTEM, and conclude with the presentation of a deflector and solid-state pulser design for Movie-Mode DTEM
Dynamical and electronic properties of rare-earth aluminides
Sharma, Ramesh; Sharma, Yamini
2018-04-01
Rare-earth dialuminides belong to a large family of compounds that stabilize in cubic MgCu2 structure. A large number of these compounds are superconducting, amongst these YAl2, LaAl2 and LuAl2 have been chosen as reference materials for studying 4f-electron systems. In order to understand the role of the RE atoms, we have applied the FPLAPW and PAW methods within the density functional theory (DFT). Our results show that the contribution of RE atoms is dominant in both electronic structure and phonon dispersion. The anomalous behavior of superconducting LaAl2 is well explained from an analysis of the electron localization function (ELF), Bader charge analysis, density of electronic states as well as the dynamical phonon vibrational modes. The interaction of phonon modes contributed by low frequency vibrations of La atoms with the high density La 5d-states at EF in LaAl2 lead to strong electron-phonon coupling.
International Nuclear Information System (INIS)
Bouchard, A.M.
1994-01-01
This report discusses the following topics: Bloch oscillations and other dynamical phenomena of electrons in semiconductor superlattices; solvable dynamical model of an electron in a one-dimensional aperiodic lattice subject to a uniform electric field; and quantum dynamical phenomena of electrons in aperiodic semiconductor superlattices
Dynamic electron arc radiotherapy (DEAR): a feasibility study
International Nuclear Information System (INIS)
Rodrigues, Anna; Yin, Fang-Fang; Wu, Qiuwen
2014-01-01
Compared to other radiation therapy modalities, clinical electron beam therapy has remained practically unchanged for the past few decades even though electron beams with multiple energies are widely available on most linacs. In this paper, we present the concept of dynamic electron arc radiotherapy (DEAR), a new conformal electron therapy technique with synchronized couch motion. DEAR utilizes combination of gantry rotation, couch motion, and dose rate modulation to achieve desirable dose distributions in patient. The electron applicator is kept to minimize scatter and maintain narrow penumbra. The couch motion is synchronized with the gantry rotation to avoid collision between patient and the electron cone. In this study, we investigate the feasibility of DEAR delivery and demonstrate the potential of DEAR to improve dose distributions on simple cylindrical phantoms. DEAR was delivered on Varian's TrueBeam linac in Research Mode. In conjunction with the recorded trajectory log files, mechanical motion accuracies and dose rate modulation precision were analyzed. Experimental and calculated dose distributions were investigated for different energies (6 and 9 MeV) and cut-out sizes (1×10 cm 2 and 3×10 cm 2 for a 15×15 cm 2 applicator). Our findings show that DEAR delivery is feasible and has the potential to deliver radiation dose with high accuracy (root mean square error, or RMSE of <0.1 MU, <0.1° gantry, and <0.1 cm couch positions) and good dose rate precision (1.6 MU min −1 ). Dose homogeneity within ±2% in large and curved targets can be achieved while maintaining penumbra comparable to a standard electron beam on a flat surface. Further, DEAR does not require fabrication of patient-specific shields. These benefits make DEAR a promising technique for conformal radiotherapy of superficial tumors. (paper)
Molecular dynamics simulation of electron trapping in the sapphire lattice
International Nuclear Information System (INIS)
Rambaut, C.; Oh, K.H.; Fayeulle, S.; Kohanoff, J.
1995-10-01
Energy storage and release in dielectric materials can be described on the basis of the charge trapping mechanism. Most phenomenological aspects have been recently rationalized in terms of the space charge mode. Dynamical aspects are studied here by performing Molecular Dynamics simulations. We show that an excess electron introduced into the sapphire lattice (α -Al 2 O 3 ) can be trapped only at a limited number of sites. The energy gained by allowing the electron to localize in these sites is of the order of 4-5 eV, in good agreement with the results of the space charge model. Displacements of the neighboring ions due to the implanted charge are shown to be localized in a small region of about 5 A. Detrapping is observed at 250 K. The ionic displacements turn out to play an important role in modifying the potential landscape by lowering, in a dynamical way, the barriers that cause localization at low temperature. (author). 18 refs, 7 figs, 2 tabs
Electron beam dynamics in an ultrafast transmission electron microscope with Wehnelt electrode
Energy Technology Data Exchange (ETDEWEB)
Bücker, K.; Picher, M.; Crégut, O. [Institut de Physique et Chimie des Matériaux de Strasbourg, UMR 7504 CNRS, Université de Strasbourg, 23 rue du Loess, 67034 Strasbourg (France); LaGrange, T. [Interdisciplinary Centre for Electron Microscopy, École Polytechnique Fédérale de Lausanne, 1015 Lausanne (Switzerland); Reed, B.W.; Park, S.T.; Masiel, D.J. [Integrated Dynamic Electron Solutions, Inc., 5653 Stoneridge Drive 117, Pleasanton, CA 94588 (United States); Banhart, F., E-mail: florian.banhart@ipcms.unistra.fr [Institut de Physique et Chimie des Matériaux de Strasbourg, UMR 7504 CNRS, Université de Strasbourg, 23 rue du Loess, 67034 Strasbourg (France)
2016-12-15
High temporal resolution transmission electron microscopy techniques have shown significant progress in recent years. Using photoelectron pulses induced by ultrashort laser pulses on the cathode, these methods can probe ultrafast materials processes and have revealed numerous dynamic phenomena at the nanoscale. Most recently, the technique has been implemented in standard thermionic electron microscopes that provide a flexible platform for studying material's dynamics over a wide range of spatial and temporal scales. In this study, the electron pulses in such an ultrafast transmission electron microscope are characterized in detail. The microscope is based on a thermionic gun with a Wehnelt electrode and is operated in a stroboscopic photoelectron mode. It is shown that the Wehnelt bias has a decisive influence on the temporal and energy spread of the picosecond electron pulses. Depending on the shape of the cathode and the cathode-Wehnelt distance, different emission patterns with different pulse parameters are obtained. The energy spread of the pulses is determined by space charge and Boersch effects, given by the number of electrons in a pulse. However, filtering effects due to the chromatic aberrations of the Wehnelt electrode allow the extraction of pulses with narrow energy spreads. The temporal spread is governed by electron trajectories of different length and in different electrostatic potentials. High temporal resolution is obtained by excluding shank emission from the cathode and aberration-induced halos in the emission pattern. By varying the cathode-Wehnelt gap, the Wehnelt bias, and the number of photoelectrons in a pulse, tradeoffs between energy and temporal resolution as well as beam intensity can be made as needed for experiments. Based on the characterization of the electron pulses, the optimal conditions for the operation of ultrafast TEMs with thermionic gun assembly are elaborated. - Highlights: • A detailed characterization of electron
How Does the Electron Dynamics Affect the Global Reconnection Rate
Hesse, Michael
2012-01-01
The question of whether the microscale controls the macroscale or vice-versa remains one of the most challenging problems in plasmas. A particular topic of interest within this context is collisionless magnetic reconnection, where both points of views are espoused by different groups of researchers. This presentation will focus on this topic. We will begin by analyzing the properties of electron diffusion region dynamics both for guide field and anti-parallel reconnection, and how they can be scaled to different inflow conditions. As a next step, we will study typical temporal variations of the microscopic dynamics with the objective of understanding the potential for secular changes to the macroscopic system. The research will be based on a combination of analytical theory and numerical modeling.
Charged beam dynamics, particle accelerators and free electron lasers
Dattoli, Giuseppe; Sabia, Elio; Artioli, Marcello
2017-01-01
Charged Beam Dynamics, Particle Accelerators and Free Electron Lasers summarises different topics in the field of accelerators and of Free Electron Laser (FEL) devices. It is intended as a reference manual for the different aspects of FEL devices, explaining how to design both a FEL device and the accelerator providing the driving beam. It covers both theoretical and experimental aspects, allowing researchers to attempt a first design of a FEL device in different operating conditions. It provides an analysis of what is already available, what is needed, and what the challenges are to determine new progress in this field. All chapters contain complements and exercises that are designed in such a way that the reader will gradually acquire self-confidence with the matter treated in the book.
Modern aspects of Josephson dynamics and superconductivity electronics
Askerzade, Iman; Cantürk, Mehmet
2017-01-01
In this book new experimental investigations of properties of Josephson junctions and systems are explored with the help of recent developments in superconductivity. The theory of the Josephson effect is presented taking into account the influence of multiband and anisotropy effects in new superconducting compounds. Anharmonicity effects in current-phase relation on Josephson junctions dynamics are discussed. Recent studies in analogue and digital superconductivity electronics are presented. Topics of special interest include resistive single flux quantum logic in digital electronics. Application of Josephson junctions in quantum computing as superconducting quantum bits are analyzed. Particular attention is given to understanding chaotic behaviour of Josephson junctions and systems. The book is written for graduate students and researchers in the field of applied superconductivity.
Electron dynamics in RF sources with a laser controlled emission
Khodak, I V; Metrochenko, V V
2001-01-01
Photoemission radiofrequency (RF) electron sources are sources of electron beams with extremely high brightness. Beam bunching processes in such devices are well studied in case when laser pulse duration is much lower of rf oscillation period.At the same time photoemission RF guns have some merits when operating in 'long-pulse' mode. In this case the laser pulse duration is much higher of rf oscillation period but much lower of rise time of oscillations in a gun cavity. Beam parameters at the gun output are compared for photoemission and thermoemission cathode applications. The paper presents results of a beam dynamics simulation in such guns with different resonance structures. Questions connected with defining of the current pulse peak value that can be obtained in such guns are discussed.
Spin dynamics of electron beams in circular accelerators
International Nuclear Information System (INIS)
Boldt, Oliver
2014-04-01
Experiments using high energy beams of spin polarized, charged particles still prove to be very helpful in disclosing a deeper understanding of the fundamental structure of matter. An important aspect is to control the beam properties, such as brilliance, intensity, energy, and degree of spin polarization. In this context, the present studies show various numerical calculations of the spin dynamics of high energy electron beams in circular accelerators. Special attention has to be paid to the emission of synchrotron radiation, that occurs when deflecting charged particles on circular orbits. In the presence of the fluctuation of the kinetic energy due to the photon emission, each electron spin moves non-deterministically. This stochastic effect commonly slows down the speed of all numeric estimations. However, the shown simulations cover - using appropriate approximations - trackings for the motion of thousands of electron spins for up to thousands of turns. Those calculations are validated and complemented by empirical investigations at the electron stretcher facility ELSA of the University of Bonn. They can largely be extended to other boundary conditions and thus, can be consulted for new accelerator layouts.
Electron density and plasma dynamics of a colliding plasma experiment
Energy Technology Data Exchange (ETDEWEB)
Wiechula, J., E-mail: wiechula@physik.uni-frankfurt.de; Schönlein, A.; Iberler, M.; Hock, C.; Manegold, T.; Bohlender, B.; Jacoby, J. [Plasma Physics Group, Institute of Applied Physics, Goethe University, 60438 Frankfurt am Main (Germany)
2016-07-15
We present experimental results of two head-on colliding plasma sheaths accelerated by pulsed-power-driven coaxial plasma accelerators. The measurements have been performed in a small vacuum chamber with a neutral-gas prefill of ArH{sub 2} at gas pressures between 17 Pa and 400 Pa and load voltages between 4 kV and 9 kV. As the plasma sheaths collide, the electron density is significantly increased. The electron density reaches maximum values of ≈8 ⋅ 10{sup 15} cm{sup −3} for a single accelerated plasma and a maximum value of ≈2.6 ⋅ 10{sup 16} cm{sup −3} for the plasma collision. Overall a raise of the plasma density by a factor of 1.3 to 3.8 has been achieved. A scaling behavior has been derived from the values of the electron density which shows a disproportionately high increase of the electron density of the collisional case for higher applied voltages in comparison to a single accelerated plasma. Sequences of the plasma collision have been taken, using a fast framing camera to study the plasma dynamics. These sequences indicate a maximum collision velocity of 34 km/s.
Protein electron transfer: is biology (thermo)dynamic?
International Nuclear Information System (INIS)
Matyushov, Dmitry V
2015-01-01
Simple physical mechanisms are behind the flow of energy in all forms of life. Energy comes to living systems through electrons occupying high-energy states, either from food (respiratory chains) or from light (photosynthesis). This energy is transformed into the cross-membrane proton-motive force that eventually drives all biochemistry of the cell. Life’s ability to transfer electrons over large distances with nearly zero loss of free energy is puzzling and has not been accomplished in synthetic systems. The focus of this review is on how this energetic efficiency is realized. General physical mechanisms and interactions that allow proteins to fold into compact water-soluble structures are also responsible for a rugged landscape of energy states and a broad distribution of relaxation times. Specific to a protein as a fluctuating thermal bath is the protein-water interface, which is heterogeneous both dynamically and structurally. The spectrum of interfacial fluctuations is a consequence of protein’s elastic flexibility combined with a high density of surface charges polarizing water dipoles into surface nanodomains. Electrostatics is critical to the protein function and the relevant questions are: (i) What is the spectrum of interfacial electrostatic fluctuations? (ii) Does the interfacial biological water produce electrostatic signatures specific to proteins? (iii) How is protein-mediated chemistry affected by electrostatics? These questions connect the fluctuation spectrum to the dynamical control of chemical reactivity, i.e. the dependence of the activation free energy of the reaction on the dynamics of the bath. Ergodicity is often broken in protein-driven reactions and thermodynamic free energies become irrelevant. Continuous ergodicity breaking in a dense spectrum of relaxation times requires using dynamically restricted ensembles to calculate statistical averages. When applied to the calculation of the rates, this formalism leads to the nonergodic
Femtosecond electron-bunch dynamics in laser wakefields and vacuum
Directory of Open Access Journals (Sweden)
A. G. Khachatryan
2007-12-01
Full Text Available Recent advances in laser wakefield acceleration demonstrated the generation of extremely short (with a duration of a few femtoseconds relativistic electron bunches with relatively low (of the order of couple of percent energy spread. In this article we study the dynamics of such bunches in drift space (vacuum and in channel-guided laser wakefields. Analytical solutions were found for the transverse coordinate of an electron and for the bunch envelope in the wakefield in the case of arbitrary change in the energy. Our results show strong bunch dynamics already on a millimeter scale propagation distance both in plasma and in vacuum. When the bunch propagates in vacuum, its transverse sizes grow considerably; the same is observed for the normalized bunch emittance that worsens the focusability of the bunch. A scheme of two-stage laser wakefield accelerator with small drift space between the stages is proposed. It is found that fast longitudinal betatron phase mixing occurs in a femtosecond bunch when it propagates along the wakefield axis. When bunch propagates off axis, strong bunch decoherence and fast emittance degradation due to the finite bunch length was observed.
Semiclassical regime of Regge calculus and spin foams
International Nuclear Information System (INIS)
Bianchi, Eugenio; Satz, Alejandro
2009-01-01
Recent attempts to recover the graviton propagator from spin foam models involve the use of a boundary quantum state peaked on a classical geometry. The question arises whether beyond the case of a single simplex this suffices for peaking the interior geometry in a semiclassical configuration. In this paper we explore this issue in the context of quantum Regge calculus with a general triangulation. Via a stationary phase approximation, we show that the boundary state succeeds in peaking the interior in the appropriate configuration, and that boundary correlations can be computed order by order in an asymptotic expansion. Further, we show that if we replace at each simplex the exponential of the Regge action by its cosine-as expected from the semiclassical limit of spin foam models-then the contribution from the sign-reversed terms is suppressed in the semiclassical regime and the results match those of conventional Regge calculus
Energy Technology Data Exchange (ETDEWEB)
Car, R.; Parrinello, M.
1988-01-18
An amorphous silicon structure is obtained with a computer simulation based on a new molecular-dynamics technique in which the interatomic potential is derived from a parameter-free quantum mechanical method. Our results for the atomic structure, the phonon spectrum, and the electronic properties are in excellent agreement with experiment. In addition we study details of the microscopic dynamics which are not directly accessible to experiment. We find in particular that structural defects are associated with weak bonds. These may give rise to low-frequency vibrational modes.
Semi-classical derivation of charge-quantization through charge-field self-interaction
International Nuclear Information System (INIS)
Kosok, M.; Madhyastha, V.L.
1990-01-01
A semi-classical synthesis of classical mechanics, wave mechanics, and special relativity yields a unique nonlinear energy-wave structure of relations (velocity triad uv = c 2 ) fundamental to modern physics. Through the above vehicle, using Maxwell's equations, charge quantization and the fine structure constant are derived. It is shown that the numerical value of the nonlinear charge-field self-interaction range for the electron is of the order of 10 -13 m, which is greater than the classical electron radius but less than the Compton wavelength of the electron. Finally, it is suggested that the structure of the electron-in-space is expressed by a self-extending nonlinear ''fractal geometry'' based on derived numerical values obtained from our model, thus opening this presentation of charge-field structure to experimental testing for possible verification
Pascal, Elena; Singh, Saransh; Callahan, Patrick G; Hourahine, Ben; Trager-Cowan, Carol; Graef, Marc De
2018-04-01
Transmission Kikuchi diffraction (TKD) has been gaining momentum as a high resolution alternative to electron back-scattered diffraction (EBSD), adding to the existing electron diffraction modalities in the scanning electron microscope (SEM). The image simulation of any of these measurement techniques requires an energy dependent diffraction model for which, in turn, knowledge of electron energies and diffraction distances distributions is required. We identify the sample-detector geometry and the effect of inelastic events on the diffracting electron beam as the important factors to be considered when predicting these distributions. However, tractable models taking into account inelastic scattering explicitly are lacking. In this study, we expand the Monte Carlo (MC) energy-weighting dynamical simulations models used for EBSD [1] and ECP [2] to the TKD case. We show that the foil thickness in TKD can be used as a means of energy filtering and compare band sharpness in the different modalities. The current model is shown to correctly predict TKD patterns and, through the dictionary indexing approach, to produce higher quality indexed TKD maps than conventional Hough transform approach, especially close to grain boundaries. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.
Microscopic and semi-classical treatments of octupole deformation in the light actinides
International Nuclear Information System (INIS)
Chasman, R.R.
1984-01-01
Microscopic and semi-classical descriptions of octupole deformation are compared. New semi-classical results, obtained with the use of a Woods-Saxon potential are presented. Comparisons with experiment are made. 21 references
International Nuclear Information System (INIS)
Lysaght, M A; Hutchinson, S; Van der Hart, H W
2009-01-01
We use the time-dependent R-matrix approach to investigate an ultrashort pump-probe scheme to observe collective electron dynamics in C + driven by the repulsion of two equivalent p electrons. By studying the two-dimensional momentum distributions of the ejected electron as a function of the time-delay between an ultrashort pump pulse and an ionizing ultrashort probe pulse it is possible to track the collective dynamics inside the C + ion in the time domain.
Femtosecond electron diffraction. Next generation electron sources for atomically resolved dynamics
International Nuclear Information System (INIS)
Hirscht, Julian
2015-08-01
Three instruments for femtosecond electron diffraction (FED) experiments were erected, partially commissioned and used for first diffraction experiments. The Relativistic Electron Gun for Atomic Exploration (REGAE) was completed by beamline elements including supports, a specimen chamber and dark current or electron beam collimating elements such that the commissioning process, including first diffraction experiments in this context, could be started. The temporal resolution of this machine is simulated to be 25 fs (fwhm) short, while a transverse coherence length of 30 nm (fwhm) is feasible to resolve proteins on this scale. Whether this machine is capable of meeting these predictions or whether the dynamics of the electron beam will stay limited by accelerator components, is not finally determined by the end of this work, because commissioning and improvement of accelerator components is ongoing. Simultaneously, a compact DC electron diffraction apparatus, the E-Gun 300, designed for solid and liquid specimens and a target electron energy of 300 keV, was built. Fundamental design issues of the high potential carrying and beam generating components occurred and are limiting the maximum potential and electron energy to 120 keV. Furthermore, this is limiting the range of possible applications and consequently the design and construction of a brand new instrument began. The Femtosecond Electron Diffraction CAmera for Molecular Movies (FED-CAMM) bridges the performance problems of very high electric potentials and provides optimal operational conditions for all applied electron energies up to 300 keV. The variability of gap spacings and optimized manufacturing of the high voltage electrodes lead to the best possible electron pulse durations obtainable with a compact DC setup, that does not comprise of rf-structures. This third apparatus possesses pulse durations just a few tenth femtoseconds apart from the design limit of the highly relativistic REGAE and combines the
Femtosecond electron diffraction. Next generation electron sources for atomically resolved dynamics
Energy Technology Data Exchange (ETDEWEB)
Hirscht, Julian
2015-08-15
Three instruments for femtosecond electron diffraction (FED) experiments were erected, partially commissioned and used for first diffraction experiments. The Relativistic Electron Gun for Atomic Exploration (REGAE) was completed by beamline elements including supports, a specimen chamber and dark current or electron beam collimating elements such that the commissioning process, including first diffraction experiments in this context, could be started. The temporal resolution of this machine is simulated to be 25 fs (fwhm) short, while a transverse coherence length of 30 nm (fwhm) is feasible to resolve proteins on this scale. Whether this machine is capable of meeting these predictions or whether the dynamics of the electron beam will stay limited by accelerator components, is not finally determined by the end of this work, because commissioning and improvement of accelerator components is ongoing. Simultaneously, a compact DC electron diffraction apparatus, the E-Gun 300, designed for solid and liquid specimens and a target electron energy of 300 keV, was built. Fundamental design issues of the high potential carrying and beam generating components occurred and are limiting the maximum potential and electron energy to 120 keV. Furthermore, this is limiting the range of possible applications and consequently the design and construction of a brand new instrument began. The Femtosecond Electron Diffraction CAmera for Molecular Movies (FED-CAMM) bridges the performance problems of very high electric potentials and provides optimal operational conditions for all applied electron energies up to 300 keV. The variability of gap spacings and optimized manufacturing of the high voltage electrodes lead to the best possible electron pulse durations obtainable with a compact DC setup, that does not comprise of rf-structures. This third apparatus possesses pulse durations just a few tenth femtoseconds apart from the design limit of the highly relativistic REGAE and combines the
Dynamical photo-induced electronic properties of molecular junctions
Beltako, K.; Michelini, F.; Cavassilas, N.; Raymond, L.
2018-03-01
Nanoscale molecular-electronic devices and machines are emerging as promising functional elements, naturally flexible and efficient, for next-generation technologies. A deeper understanding of carrier dynamics in molecular junctions is expected to benefit many fields of nanoelectronics and power devices. We determine time-resolved charge current flowing at the donor-acceptor interface in molecular junctions connected to metallic electrodes by means of quantum transport simulations. The current is induced by the interaction of the donor with a Gaussian-shape femtosecond laser pulse. Effects of the molecular internal coupling, metal-molecule tunneling, and light-donor coupling on photocurrent are discussed. We then define the time-resolved local density of states which is proposed as an efficient tool to describe the absorbing molecule in contact with metallic electrodes. Non-equilibrium reorganization of hybridized molecular orbitals through the light-donor interaction gives rise to two phenomena: the dynamical Rabi shift and the appearance of Floquet-like states. Such insights into the dynamical photoelectronic structure of molecules are of strong interest for ultrafast spectroscopy and open avenues toward the possibility of analyzing and controlling the internal properties of quantum nanodevices with pump-push photocurrent spectroscopy.
Electronic transport and magnetization dynamics in magnetic systems
International Nuclear Information System (INIS)
Borlenghi, Simone
2011-01-01
The aim of this thesis is to understand the mutual influence between electronic transport and magnetization dynamics in magnetic hybrid metallic nano-structures. At first, we have developed a theoretical model, based on random matrix theory, to describe at microscopic level spin dependent transport in a heterogeneous nano-structure. This model, called Continuous Random Matrix Theory (CRMT), has been implemented in a simulation code that allows one to compute local (spin torque, spin accumulation and spin current) and macroscopic (resistance) transport properties of spin valves. To validate this model, we have compared it with a quantum theory of transport based on the non equilibrium Green's functions formalism. Coupling the two models has allowed to perform a multi-scale description of metallic hybrid nano-structures, where ohmic parts are described using CRMT, while purely quantum parts are described using Green's functions. Then, we have coupled CRMT to a micro-magnetic simulation code, in order to describe the complex dynamics of the magnetization induced by spin transfer effect. The originality of this approach consists in modelling a spectroscopic experiment based on a mechanical detection of the ferromagnetic resonance, and performed on a spin torque nano-oscillator. This work has allowed us to obtain the dynamical phase diagram of the magnetization, and to detect the selection rules for spin waves induced by spin torque, as well as the competition between the Eigen-modes of the system when a dc current flows through the multilayer, in partial agreement with experimental data. (author)
Semiclassical strings and non-Abelian T-duality
Directory of Open Access Journals (Sweden)
S. Zacarías
2014-10-01
Full Text Available We study semiclassical strings in the Klebanov–Witten and in the non-Abelian T-dual Klebanov–Witten backgrounds. We show that both backgrounds share a subsector of equivalent states up to conditions on the T-dual coordinates. We also analyse string configurations where the strings are stretched along the T-dual coordinates. This semiclassical analysis predicts the existence of (almost chiral primary operators for the dual superconformal field theory whose (anomalous bare dimensions depend on the T-dual coordinates. We briefly discuss the Penrose limit of the dualised background.
Equivalence between the semiclassical and effective approaches to gravity
International Nuclear Information System (INIS)
Paszko, Ricardo; Accioly, Antonio
2010-01-01
Semiclassical and effective theories of gravitation are quite distinct from each other as far as the approximation scheme employed is concerned. In fact, while in the semiclassical approach gravity is a classical field and the particles and/or remaining fields are quantized, in the effective approach everything is quantized, including gravity, but the Feynman amplitude is expanded in terms of the momentum exchanged between the particles and/or fields. In this paper, we show that these approaches, despite being radically different, lead to equivalent results if one of the masses under consideration is much greater than all the other energies involved.
Recent developments in semiclassical mechanics: eigenvalues and reaction rate constants
International Nuclear Information System (INIS)
Miller, W.H.
1976-04-01
A semiclassical treatment of eigenvalues for a multidimensional non-separable potential function and of the rate constant for a chemical reaction with an activation barrier is presented. Both phenomena are seen to be described by essentially the same semiclassical formalism, which is based on a construction of the total Hamiltonian in terms of the complete set of ''good'' action variables (or adiabatic invariants) associated with the minimum in the potential energy surface for the eigenvalue case, or the saddle point in the potential energy surface for the case of chemical reaction
Ultrafast dynamics of electronically excited molecules and clusters
International Nuclear Information System (INIS)
Lietard, Aude
2014-01-01
This PhD thesis investigated the ultrafast dynamics of photo-chromic molecules and argon clusters in the gas phase at the femtosecond timescale. Pump-probe experiments are performed in a set-up which associates a versatile pulsed molecular beam coupled to a photoelectron/photoion velocity map imager (VMI) and a time-of-flight mass spectrometer (TOF-MS). Theses pump-probe experiments provides the temporal evolution of the electronic distribution for each system of interest. Besides, a modelization has been performed in order to characterize the density and the velocity distribution in the pulsed beam. Regarding the photo-chromic di-thienyl-ethene molecules, parallel electronic relaxation pathways were observed. This contrasts with the observation of sequential relaxation processes in most molecules studied so far. In the present case, the initial wave packet splits in two parts. One part is driven to the ground state at the femtosecond time scale through a conical intersection, and the second part remains for ps in the excited state and experiences oscillations in a suspended well. This study has shed light into the intrinsic dynamics of the molecules under study and a general relaxation mechanism has been proposed, which applies to the whole family of di-thienyl-ethene molecules whatever the state of matter (gas phase or solution) in which they have been investigated. Concerning argon clusters excited at about 14 eV, two behaviors of different time scale have been observed at different time scales. The first one occurs in the first picoseconds of the dynamics. It corresponds to the electronic relaxation of an excitonic state at a rate of 1 eV.ps -1 . The second phenomenon corresponds to the localization of the exciton on the excimer Ar 2 *. This phenomenon is observed 4-5 ps after the excitation. In this study, we also observed the ejection of excited argon atoms, addressing the lifetime of the delocalized excitonic state. This work provide additional informations
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.
Numerical solutions of the semiclassical Boltzmann ellipsoidal-statistical kinetic model equation
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
Few-body semiclassical approach to nucleon transfer and emission reactions
Directory of Open Access Journals (Sweden)
Sultanov Renat A.
2014-04-01
Full Text Available 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${{\\vec R}_1}\\left( t \\right$ and R→2(t${{\\vec R}_2}\\left( t \\right$ 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${{\\vec R}_1}\\left( t \\right$ and R→2(t${{\\vec R}_2}\\left( t \\right$ trajectories of the nuclear cores, a self-consistent approach based on the Feynman path integral theory is applied.
Regular black holes from semi-classical down to Planckian size
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.
Regularized semiclassical limits: Linear flows with infinite Lyapunov exponents
Athanassoulis, Agissilaos; Katsaounis, Theodoros; Kyza, Irene
2016-01-01
Semiclassical asymptotics for Schrödinger equations with non-smooth potentials give rise to ill-posed formal semiclassical limits. These problems have attracted a lot of attention in the last few years, as a proxy for the treatment of eigenvalue crossings, i.e. general systems. It has recently been shown that the semiclassical limit for conical singularities is in fact well-posed, as long as the Wigner measure (WM) stays away from singular saddle points. In this work we develop a family of refined semiclassical estimates, and use them to derive regularized transport equations for saddle points with infinite Lyapunov exponents, extending the aforementioned recent results. In the process we answer a related question posed by P.L. Lions and T. Paul in 1993. If we consider more singular potentials, our rigorous estimates break down. To investigate whether conical saddle points, such as -|x|, admit a regularized transport asymptotic approximation, we employ a numerical solver based on posteriori error control. Thus rigorous upper bounds for the asymptotic error in concrete problems are generated. In particular, specific phenomena which render invalid any regularized transport for -|x| are identified and quantified. In that sense our rigorous results are sharp. Finally, we use our findings to formulate a precise conjecture for the condition under which conical saddle points admit a regularized transport solution for the WM. © 2016 International Press.
Semi-classical limit of relativistic quantum mechanics
Indian Academy of Sciences (India)
It is shown that the semi-classical limit of solutions to the Klein–Gordon equation gives the particle probability density that is in direct proportion to the inverse of the particle velocity. It is also shown that in the case of the Dirac equation a different result is obtained.
Semiclassical model of cross section for fast neutrons
International Nuclear Information System (INIS)
Rosato, A.; D'Oliveira, A.A.
1977-01-01
A study for main aspects of fast neutron scattering is presented and, a semiclassical approximation applying to several pratic cases is described. The obtained results are compared with experimental data for deformed nuclei, and, with theoretical data based on optical model without treatment of deformations. (M.C.K.) [pt
Semiclassical treatment of nuclear effects in Coulomb excitation
Energy Technology Data Exchange (ETDEWEB)
Canto, L F; Donangelo, R [Universidade Federal do Rio de Janeiro, RJ (Brazil). Inst. de Fisica; Rasmussen, J O; Ring, P; Stoyer, M A [Lawrence Berkeley Lab., CA (USA). Nuclear Science Div.
1990-09-27
We introduce the effects of the nuclear potential in the semiclassical Alder-Winther-de Boer method, both in the coupling matrix elements and as corrections to the Rutherford orbit. We compare our results to those of pure Coulomb excitation and to coupled-channel calculations. (orig.).
Regularized semiclassical limits: Linear flows with infinite Lyapunov exponents
Athanassoulis, Agissilaos
2016-08-30
Semiclassical asymptotics for Schrödinger equations with non-smooth potentials give rise to ill-posed formal semiclassical limits. These problems have attracted a lot of attention in the last few years, as a proxy for the treatment of eigenvalue crossings, i.e. general systems. It has recently been shown that the semiclassical limit for conical singularities is in fact well-posed, as long as the Wigner measure (WM) stays away from singular saddle points. In this work we develop a family of refined semiclassical estimates, and use them to derive regularized transport equations for saddle points with infinite Lyapunov exponents, extending the aforementioned recent results. In the process we answer a related question posed by P.L. Lions and T. Paul in 1993. If we consider more singular potentials, our rigorous estimates break down. To investigate whether conical saddle points, such as -|x|, admit a regularized transport asymptotic approximation, we employ a numerical solver based on posteriori error control. Thus rigorous upper bounds for the asymptotic error in concrete problems are generated. In particular, specific phenomena which render invalid any regularized transport for -|x| are identified and quantified. In that sense our rigorous results are sharp. Finally, we use our findings to formulate a precise conjecture for the condition under which conical saddle points admit a regularized transport solution for the WM. © 2016 International Press.
Structures in semiclassical spectra: a question of scale
International Nuclear Information System (INIS)
Berry, M.V.
1984-01-01
Theories of semiclassical bound state spectra for systems with N freedoms are reviewed, emphasizing the different features occurring on successively finer scales of energy E, measured in terms of h/2π, and attempting to correlate these with whether the underlying classical motion is regular or irregular. (Auth.)
A semiclassical study of optical potentials - potential resonances -
International Nuclear Information System (INIS)
Lee, S.Y.; Takigawa, N.; Marty, C.
1977-01-01
A semiclassical method is used to analyze resonances produced by complex potentials. The absorption plays a central role: when it is not too great, resonances manifest themselves by enhancement of cross sections near π. The reverse is not necessarily true, for instance the anomalous large angle scattering for α-Ca is due to a coherent superposition of many partial waves
Effects of parallel electron dynamics on plasma blob transport
Energy Technology Data Exchange (ETDEWEB)
Angus, Justin R.; Krasheninnikov, Sergei I. [University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093 (United States); Umansky, Maxim V. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States)
2012-08-15
The 3D effects on sheath connected plasma blobs that result from parallel electron dynamics are studied by allowing for the variation of blob density and potential along the magnetic field line and using collisional Ohm's law to model the parallel current density. The parallel current density from linear sheath theory, typically used in the 2D model, is implemented as parallel boundary conditions. This model includes electrostatic 3D effects, such as resistive drift waves and blob spinning, while retaining all of the fundamental 2D physics of sheath connected plasma blobs. If the growth time of unstable drift waves is comparable to the 2D advection time scale of the blob, then the blob's density gradient will be depleted resulting in a much more diffusive blob with little radial motion. Furthermore, blob profiles that are initially varying along the field line drive the potential to a Boltzmann relation that spins the blob and thereby acts as an addition sink of the 2D potential. Basic dimensionless parameters are presented to estimate the relative importance of these two 3D effects. The deviation of blob dynamics from that predicted by 2D theory in the appropriate limits of these parameters is demonstrated by a direct comparison of 2D and 3D seeded blob simulations.
Electronic structure and molecular dynamics of Na2Li
Malcolm, Nathaniel O. J.; McDouall, Joseph J. W.
Following the first report (Mile, B., Sillman, P. D., Yacob, A. R. and Howard, J. A., 1996, J. chem. Soc. Dalton Trans , 653) of the EPR spectrum of the mixed alkali-metal trimer Na2Li a detailed study has been made of the electronic structure and structural dynamics of this species. Two isomeric forms have been found: one of the type, Na-Li-Na, of C , symmetry and another, Li-Na-Na, of C symmetry. Also, there are two linear saddle points which correspond to 'inversion' transition structures, and a saddle point of C symmetry which connects the two minima. A molecular dynamics investigation of these species shows that, at the temperature of the reported experiments (170 K), the C minimum is not 'static', but undergoes quite rapid inversion. At higher temperatures the C minimum converts to the C form, but by a mechanism very different from that suggested by minimum energy path considerations. 2 2v s s 2v 2v s
Nonlinear dynamics of resonant electrons interacting with coherent Langmuir waves
Tobita, Miwa; Omura, Yoshiharu
2018-03-01
We study the nonlinear dynamics of resonant particles interacting with coherent waves in space plasmas. Magnetospheric plasma waves such as whistler-mode chorus, electromagnetic ion cyclotron waves, and hiss emissions contain coherent wave structures with various discrete frequencies. Although these waves are electromagnetic, their interaction with resonant particles can be approximated by equations of motion for a charged particle in a one-dimensional electrostatic wave. The equations are expressed in the form of nonlinear pendulum equations. We perform test particle simulations of electrons in an electrostatic model with Langmuir waves and a non-oscillatory electric field. We solve equations of motion and study the dynamics of particles with different values of inhomogeneity factor S defined as a ratio of the non-oscillatory electric field intensity to the wave amplitude. The simulation results demonstrate deceleration/acceleration, thermalization, and trapping of particles through resonance with a single wave, two waves, and multiple waves. For two-wave and multiple-wave cases, we describe the wave-particle interaction as either coherent or incoherent based on the probability of nonlinear trapping.
Dynamic electronic institutions in agent oriented cloud robotic systems.
Nagrath, Vineet; Morel, Olivier; Malik, Aamir; Saad, Naufal; Meriaudeau, Fabrice
2015-01-01
The dot-com bubble bursted in the year 2000 followed by a swift movement towards resource virtualization and cloud computing business model. Cloud computing emerged not as new form of computing or network technology but a mere remoulding of existing technologies to suit a new business model. Cloud robotics is understood as adaptation of cloud computing ideas for robotic applications. Current efforts in cloud robotics stress upon developing robots that utilize computing and service infrastructure of the cloud, without debating on the underlying business model. HTM5 is an OMG's MDA based Meta-model for agent oriented development of cloud robotic systems. The trade-view of HTM5 promotes peer-to-peer trade amongst software agents. HTM5 agents represent various cloud entities and implement their business logic on cloud interactions. Trade in a peer-to-peer cloud robotic system is based on relationships and contracts amongst several agent subsets. Electronic Institutions are associations of heterogeneous intelligent agents which interact with each other following predefined norms. In Dynamic Electronic Institutions, the process of formation, reformation and dissolution of institutions is automated leading to run time adaptations in groups of agents. DEIs in agent oriented cloud robotic ecosystems bring order and group intellect. This article presents DEI implementations through HTM5 methodology.
Electron accommodation dynamics in the DNA base thymine
King, Sarah B.; Stephansen, Anne B.; Yokoi, Yuki; Yandell, Margaret A.; Kunin, Alice; Takayanagi, Toshiyuki; Neumark, Daniel M.
2015-07-01
The dynamics of electron attachment to the DNA base thymine are investigated using femtosecond time-resolved photoelectron imaging of the gas phase iodide-thymine (I-T) complex. An ultraviolet pump pulse ejects an electron from the iodide and prepares an iodine-thymine temporary negative ion that is photodetached with a near-IR probe pulse. The resulting photoelectrons are analyzed with velocity-map imaging. At excitation energies ranging from -120 meV to +90 meV with respect to the vertical detachment energy (VDE) of 4.05 eV for I-T, both the dipole-bound and valence-bound negative ions of thymine are observed. A slightly longer rise time for the valence-bound state than the dipole-bound state suggests that some of the dipole-bound anions convert to valence-bound species. No evidence is seen for a dipole-bound anion of thymine at higher excitation energies, in the range of 0.6 eV above the I-T VDE, which suggests that if the dipole-bound anion acts as a "doorway" to the valence-bound anion, it only does so at excitation energies near the VDE of the complex.
Electron accommodation dynamics in the DNA base thymine
Energy Technology Data Exchange (ETDEWEB)
King, Sarah B.; Yandell, Margaret A.; Kunin, Alice [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Stephansen, Anne B. [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 København Ø (Denmark); Yokoi, Yuki; Takayanagi, Toshiyuki [Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan); Neumark, Daniel M., E-mail: dneumark@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
2015-07-14
The dynamics of electron attachment to the DNA base thymine are investigated using femtosecond time-resolved photoelectron imaging of the gas phase iodide-thymine (I{sup −}T) complex. An ultraviolet pump pulse ejects an electron from the iodide and prepares an iodine-thymine temporary negative ion that is photodetached with a near-IR probe pulse. The resulting photoelectrons are analyzed with velocity-map imaging. At excitation energies ranging from −120 meV to +90 meV with respect to the vertical detachment energy (VDE) of 4.05 eV for I{sup −}T, both the dipole-bound and valence-bound negative ions of thymine are observed. A slightly longer rise time for the valence-bound state than the dipole-bound state suggests that some of the dipole-bound anions convert to valence-bound species. No evidence is seen for a dipole-bound anion of thymine at higher excitation energies, in the range of 0.6 eV above the I{sup −}T VDE, which suggests that if the dipole-bound anion acts as a “doorway” to the valence-bound anion, it only does so at excitation energies near the VDE of the complex.
Dynamical localization of two electrons in triple-quantum-dot shuttles
International Nuclear Information System (INIS)
Qu, Jinxian; Duan, Suqing; Yang, Ning
2012-01-01
The dynamical localization phenomena in two-electron quantum-dot shuttles driven by an ac field have been investigated and analyzed by the Floquet theory. The dynamical localization occurs near the anti-crossings in Floquet eigenenergy spectrum. The oscillation of the quantum-dot shuttles may increase the possibility of the dynamical localization. Especially, even if the two electrons are initialized in two neighbor dots, they can be localized there for appropriate intensity of the driven field. The studies may help the understanding of dynamical localization in electron shuttles and expand the application potential of nanoelectromechanical devices. -- Highlights: ► The dynamical localization in electron shuttle is studied by Floquet theory. ► There is a relation between quasi-energy anti-crossings and dynamical localization. ► The oscillation of quantum dot increases the dynamical localization. ► Even the electrons are initialized in different dots, the localization can occur.
International Nuclear Information System (INIS)
Morini, Filippo; Deleuze, Michael Simon; Watanabe, Noboru; Kojima, Masataka; Takahashi, Masahiko
2015-01-01
The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b 1 , 6a 1 , 4b 2 , and 1a 2 orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A 1 , B 1 , and B 2 symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing
International Nuclear Information System (INIS)
Wopperer, P.; Dinh, P.M.; Reinhard, P.-G.; Suraud, E.
2015-01-01
There are various ways to analyze the dynamical response of clusters and molecules to electromagnetic perturbations. Particularly rich information can be obtained from measuring the properties of electrons emitted in the course of the excitation dynamics. Such an analysis of electron signals covers observables such as total ionization, Photo-Electron Spectra (PES), Photoelectron Angular Distributions (PAD), and ideally combined PES/PAD. It has a long history in molecular physics and was increasingly used in cluster physics as well. Recent progress in the design of new light sources (high intensity, high frequency, ultra short pulses) opens new possibilities for measurements and thus has renewed the interest on these observables, especially for the analysis of various dynamical scenarios, well beyond a simple access to electronic density of states. This, in turn, has motivated many theoretical investigations of the dynamics of electronic emission for molecules and clusters up to such a complex and interesting system as C 60 . A theoretical tool of choice is here Time-Dependent Density Functional Theory (TDDFT) propagated in real time and on a spatial grid, and augmented by a Self-Interaction Correction (SIC). This provides a pertinent, robust, and efficient description of electronic emission including the detailed pattern of PES and PAD. A direct comparison between experiments and well founded elaborate microscopic theories is thus readily possible, at variance with more demanding observables such as for example fragmentation or dissociation cross sections. The purpose of this paper is to describe the theoretical tools developed on the basis of real-time and real-space TDDFT and to address in a realistic manner the analysis of electronic emission following irradiation of clusters and molecules by various laser pulses. After a general introduction, we shall present in a second part the available experimental results motivating such studies, starting from the simplest
On the fly quantum dynamics of electronic and nuclear wave packets
Komarova, Ksenia G.; Remacle, F.; Levine, R. D.
2018-05-01
Multielectronic states quantum dynamics on a grid is described in a manner motivated by on the fly classical trajectory computations. Non stationary electronic states are prepared by a few cycle laser pulse. The nuclei respond and begin moving. We solve the time dependent Schrödinger equation for the electronic and nuclear dynamics for excitation from the ground electronic state. A satisfactory accuracy is possible using a localized description on a discrete grid. This enables computing on the fly for both the nuclear and electronic dynamics including non-adiabatic couplings. Attosecond dynamics in LiH is used as an example.
Study and realization of an electron linear accelerator. Dynamics of accelerated electrons
International Nuclear Information System (INIS)
Bernard, J.
1966-12-01
The theoretical characteristics of the electron linear accelerator are: 30 MeV for the energy W S and 250 mA for the peak current I c . The main utilization is the intense production of fast neutrons by the reactions (γ,n) and (γ,f) induced in a target of natural uranium by the accelerated electrons. In the first part of the thesis, relative to the study and the realization of the accelerator, a new equation of dispersion is established analytically when the guide is loaded with round-edged irises. The relation is compared with the equation established by CHU and Hansen, WALKINSHAW, KVASIL in the case of a guide loaded with flat-edged irises. The experimental and theoretical curves of dispersion are compared. The accuracy of every relation of dispersion is estimated. The second part of the thesis is relative to the theoretical study of the electrons dynamics in the guide; it allows the derivation of the parameters of the beam: dispersion of phase, energy, dispersion of energy and the relation W S = f (I c ). The results relative to the first experiments are given and compared with the theoretical expectations. (author) [fr
Electron cyclotron heating and supra-thermal electron dynamics in the TCV Tokamak
Energy Technology Data Exchange (ETDEWEB)
Gnesin, S.
2011-10-15
This thesis is concerned with the physics of supra-thermal electrons in thermonuclear, magnetically confined plasmas. Under a variety of conditions, in laboratory as well as space plasmas, the electron velocity distribution function is not in thermodynamic equilibrium owing to internal or external drives. Accordingly, the distribution function departs from the equilibrium Maxwellian, and in particular generally develops a high-energy tail. In tokamak plasmas, this occurs especially as a result of injection of high-power electromagnetic waves, used for heating and current drive, as well as a result of internal magnetohydrodynamic (MHD) instabilities. The physics of these phenomena is intimately tied to the properties and dynamics of this supra-thermal electron population. This motivates the development of instrumental apparatus to measure its properties as well as of numerical codes to simulate their dynamics. Both aspects are reflected in this thesis work, which features advanced instrumental development and experimental measurements as well as numerical modeling. The instrumental development consisted of the complete design of a spectroscopic and tomographic system of four multi-detector hard X-ray (HXR) cameras for the TCV tokamak. The goal is to measure bremsstrahlung emission from supra-thermal electrons with energies in the 10-300 keV range, with the ultimate aim of providing the first full tomographic reconstruction at these energies in a noncircular plasma. In particular, supra-thermal electrons are generated in TCV by a high-power electron cyclotron heating (ECH) system and are also observed in the presence of MHD events, such as sawtooth oscillations and disruptive instabilities. This diagnostic employs state-of-the-art solid-state detectors and is optimized for the tight space requirements of the TCV ports. It features a novel collimator concept that combines compactness and flexibility as well as full digital acquisition of the photon pulses, greatly
Electron cyclotron heating and supra-thermal electron dynamics in the TCV Tokamak
International Nuclear Information System (INIS)
Gnesin, S.
2011-10-01
This thesis is concerned with the physics of supra-thermal electrons in thermonuclear, magnetically confined plasmas. Under a variety of conditions, in laboratory as well as space plasmas, the electron velocity distribution function is not in thermodynamic equilibrium owing to internal or external drives. Accordingly, the distribution function departs from the equilibrium Maxwellian, and in particular generally develops a high-energy tail. In tokamak plasmas, this occurs especially as a result of injection of high-power electromagnetic waves, used for heating and current drive, as well as a result of internal magnetohydrodynamic (MHD) instabilities. The physics of these phenomena is intimately tied to the properties and dynamics of this supra-thermal electron population. This motivates the development of instrumental apparatus to measure its properties as well as of numerical codes to simulate their dynamics. Both aspects are reflected in this thesis work, which features advanced instrumental development and experimental measurements as well as numerical modeling. The instrumental development consisted of the complete design of a spectroscopic and tomographic system of four multi-detector hard X-ray (HXR) cameras for the TCV tokamak. The goal is to measure bremsstrahlung emission from supra-thermal electrons with energies in the 10-300 keV range, with the ultimate aim of providing the first full tomographic reconstruction at these energies in a noncircular plasma. In particular, supra-thermal electrons are generated in TCV by a high-power electron cyclotron heating (ECH) system and are also observed in the presence of MHD events, such as sawtooth oscillations and disruptive instabilities. This diagnostic employs state-of-the-art solid-state detectors and is optimized for the tight space requirements of the TCV ports. It features a novel collimator concept that combines compactness and flexibility as well as full digital acquisition of the photon pulses, greatly
Dynamics of valence-shell electrons and nuclei probed by strong-field holography and rescattering
Walt, Samuel G.; Bhargava Ram, Niraghatam; Atala, Marcos; Shvetsov-Shilovski, Nikolay I; von Conta, Aaron; Baykusheva, Denitsa; Lein, Manfred; Wörner, Hans Jakob
2017-01-01
Strong-field photoelectron holography and laser-induced electron diffraction (LIED) are two powerful emerging methods for probing the ultrafast dynamics of molecules. However, both of them have remained restricted to static systems and to nuclear dynamics induced by strong-field ionization. Here we extend these promising methods to image purely electronic valence-shell dynamics in molecules using photoelectron holography. In the same experiment, we use LIED and photoelectron holography simultaneously, to observe coupled electronic-rotational dynamics taking place on similar timescales. These results offer perspectives for imaging ultrafast dynamics of molecules on femtosecond to attosecond timescales. PMID:28643771
Dynamic properties of electrons in solids by neutron scattering
International Nuclear Information System (INIS)
Lovesey, S.W.
1980-12-01
Illustrative cases of the use of neutron scattering in the study of the electronic properties of materials discussed here include scattering by localised electrons, narrow band materials and electron plasmas. (U.K.)
Dynamic Corneal Surface Mapping with Electronic Speckle Pattern Interferometry
Iqbal, S.; Gualini, M. M. S.
2013-06-01
In view of the fast advancement in ophthalmic technology and corneal surgery, there is a strong need for the comprehensive mapping and characterization techniques for corneal surface. Optical methods with precision non-contact approaches have been found to be very useful for such bio measurements. Along with the normal mapping approaches, elasticity of corneal surface has an important role in its characterization and needs to be appropriately measured or estimated for broader diagnostics and better prospective surgical results, as it has important role in the post-op corneal surface reconstruction process. Use of normal corneal topographic devices is insufficient for any intricate analysis since these devices operate at relatively moderate resolution. In the given experiment, Pulsed Electronic Speckle Pattern Interferometry has been utilized along with an excitation mechanism to measure the dynamic response of the sample cornea. A Pulsed ESPI device has been chosen for the study because of its micron-level resolution and other advantages in real-time deformation analysis. A bovine cornea has been used as a sample in the subject experiment. The dynamic response has been taken on a chart recorder and it is observed that it does show a marked deformation at a specific excitation frequency, which may be taken as a characteristic elasticity parameter for the surface of that corneal sample. It was seen that outside resonance conditions the bovine cornea was not that much deformed. Through this study, the resonance frequency and the corresponding corneal deformations are mapped and plotted in real time. In these experiments, data was acquired and processed by FRAMES plus computer analysis system. With some analysis of the results, this technique can help us to refine a more detailed corneal surface mathematical model and some preliminary work was done on this. Such modelling enhancements may be useful for finer ablative surgery planning. After further experimentation
Dynamic evaluation of swallowing disorders with electron-beam tomography
International Nuclear Information System (INIS)
Raith, J.; Lindbichler, F.; Kern, R.; Groell, R.; Rienmueller, R.
1996-01-01
Three cases preselected by videofluorography were studied to evaluate whether electron beam tomography (EBT) permits more detailed dynamic imaging of swallowing disorders focusing on the mesonasopharyngeal segment, the hypopharynx and the upper esophageal sphincter (UES). Immediately after videofluorographic examination of the oropharyngeal deglutition, EBT is performed. The patient is in a supine position and while the patient swallows a 20 ml bolus of water or diluted iodine containing contrast agent, a sequence of 20 images per level is scanned. The levels, which are determined by using the scout view, are oriented parallel to the hard palate either at the level of the hard palate to image the mesonasopharyngel segment or just above the hyoid bone to focus on the hypopharynx or at the location of the USE. The scan technique is a single-slice cinemode with a slice thickness of 3 mm (exposure time 100 ms, interscan delay 16 ms, 130 kV, 620 mA). The following structural interactions that we have so far been unable to image can be clearly demonstrated with EBT: During normal swallowing, the mesonasopharyngeal segment is completely and symmetrically closed by the soft palate and Passavant's cushion; lateral hypopharyngeal pouches can be located more precisely; and disorders of the UES can be differentiated into functional or morphologically caused disorders (e.g., goiter or cervical osteophytes). Videofluorography and cinematography are still the gold standard in functional evaluation of swallowing disorders. However, EBT permits dynamic imaging of pharyngeal deglutition in a preselected transverse plane and can give useful additional information concerning functional anatomical changes in the pharynx during swallowing. Further clinical evaluation is needed. (orig.) [de
Complex dynamics in planar two-electron quantum dots
International Nuclear Information System (INIS)
Schroeter, Sebastian Josef Arthur
2013-01-01
Quantum dots play an important role in a wide range of recent experimental and technological developments. In particular they are promising candidates for realisations of quantum bits and further applications in quantum information theory. The harmonically confined Hooke's atom model is experimentally verified and separates in centre-of-mass and relative coordinates. Findings that are contradictory to this separability call for an extension of the model, in particular changing the confinement potential. In order to study effects of an anharmonic confinement potential on spectral properties of planar two-electron quantum dots a sophisticated numerical approach is developed. Comparison between the Helium atom, Hooke's atom and an anharmonic potential model are undertaken in order to improve the description of quantum dots. Classical and quantum features of complexity and chaos are investigated and used to characterise the dynamics of the system to be mixed regular-chaotic. Influence of decoherence can be described by quantum fidelity, which measures the effect of a perturbation on the time evolution. The quantum fidelity of eigenstates of the system depends strongly on the properties of the perturbation. Several methods for solving the time-dependent Schrödinger equation are implemented and a high level of accuracy for long time evolutions is achieved. The concept of offset entanglement, the entanglement of harmonic models in the noninteracting limit, is introduced. This concept explains different questions raised in the literature for harmonic quantum dot models, recently. It shows that only in the groundstate the electrons are not entangled in the fermionic sense. The applicability, validity, and origin of Hund's first rule in general quantum dot models is further addressed. In fact Hund's first rule is only applicable, and in this case also valid, for one pair of singlet and triplet states in Hooke's atom. For more realistic models of two-electron quantum dots an
Complex dynamics in planar two-electron quantum dots
Energy Technology Data Exchange (ETDEWEB)
Schroeter, Sebastian Josef Arthur
2013-06-25
Quantum dots play an important role in a wide range of recent experimental and technological developments. In particular they are promising candidates for realisations of quantum bits and further applications in quantum information theory. The harmonically confined Hooke's atom model is experimentally verified and separates in centre-of-mass and relative coordinates. Findings that are contradictory to this separability call for an extension of the model, in particular changing the confinement potential. In order to study effects of an anharmonic confinement potential on spectral properties of planar two-electron quantum dots a sophisticated numerical approach is developed. Comparison between the Helium atom, Hooke's atom and an anharmonic potential model are undertaken in order to improve the description of quantum dots. Classical and quantum features of complexity and chaos are investigated and used to characterise the dynamics of the system to be mixed regular-chaotic. Influence of decoherence can be described by quantum fidelity, which measures the effect of a perturbation on the time evolution. The quantum fidelity of eigenstates of the system depends strongly on the properties of the perturbation. Several methods for solving the time-dependent Schrödinger equation are implemented and a high level of accuracy for long time evolutions is achieved. The concept of offset entanglement, the entanglement of harmonic models in the noninteracting limit, is introduced. This concept explains different questions raised in the literature for harmonic quantum dot models, recently. It shows that only in the groundstate the electrons are not entangled in the fermionic sense. The applicability, validity, and origin of Hund's first rule in general quantum dot models is further addressed. In fact Hund's first rule is only applicable, and in this case also valid, for one pair of singlet and triplet states in Hooke's atom. For more realistic models of two-electron
A diagnostic for electron dynamics in tokamaks. Final report
International Nuclear Information System (INIS)
Skiff, F.; Boyd, D.
1997-12-01
The diagnostic was installed on TdeV and brought into operation. It was optimized to the extent that time and money permitted. A considerable quantity of data was accumulated and analyzed. Experiments ended in August 1995. The apparatus has been removed from TdeV and returned to the University of Maryland. Each of these activities is detailed here. The diagnostic worked very well. Although the distribution functions behaved in ways that were not anticipated and the refractive losses were sometimes higher than projected, the authors were able to adapt to the unexpected. In the authors' estimation, all of the effects listed above are significant, and warrant further study. The diagnostic is ready for use as a tool to study the physics of current drive and current profile modification. A mechanism for steering the launched beams is desirable to cope with the strong variations in refraction which are seen. Phased array launchers seem attractive for this purpose. Tuning of the length of the waveguide run is important to avoid troublesome reflections (return losses). It may be best to build in this capability in a future system. The perpendicular dynamics of the current driven electrons are invisible to us with the present form of the diagnostic. Simultaneous measurements at fundamental and harmonic frequencies would make perpendicular distribution function measurements possible
First principles based multiparadigm modeling of electronic structures and dynamics
Xiao, Hai
Electronic structures and dynamics are the key to linking the material composition and structure to functionality and performance. An essential issue in developing semiconductor devices for photovoltaics is to design materials with optimal band gaps and relative positioning of band levels. Approximate DFT methods have been justified to predict band gaps from KS/GKS eigenvalues, but the accuracy is decisively dependent on the choice of XC functionals. We show here for CuInSe2 and CuGaSe2, the parent compounds of the promising CIGS solar cells, conventional LDA and GGA obtain gaps of 0.0-0.01 and 0.02-0.24 eV (versus experimental values of 1.04 and 1.67 eV), while the historically first global hybrid functional, B3PW91, is surprisingly the best, with band gaps of 1.07 and 1.58 eV. Furthermore, we show that for 27 related binary and ternary semiconductors, B3PW91 predicts gaps with a MAD of only 0.09 eV, which is substantially better than all modern hybrid functionals, including B3LYP (MAD of 0.19 eV) and screened hybrid functional HSE06 (MAD of 0.18 eV). The laboratory performance of CIGS solar cells (> 20% efficiency) makes them promising candidate photovoltaic devices. However, there remains little understanding of how defects at the CIGS/CdS interface affect the band offsets and interfacial energies, and hence the performance of manufactured devices. To determine these relationships, we use the B3PW91 hybrid functional of DFT with the AEP method that we validate to provide very accurate descriptions of both band gaps and band offsets. This confirms the weak dependence of band offsets on surface orientation observed experimentally. We predict that the CBO of perfect CuInSe2/CdS interface is large, 0.79 eV, which would dramatically degrade performance. Moreover we show that band gap widening induced by Ga adjusts only the VBO, and we find that Cd impurities do not significantly affect the CBO. Thus we show that Cu vacancies at the interface play the key role in
Vlasov simulations of electron hole dynamics in inhomogeneous magnetic field
Kuzichev, Ilya; Vasko, Ivan; Agapitov, Oleksiy; Mozer, Forrest; Artemyev, Anton
2017-04-01
Electron holes (EHs) or phase space vortices are solitary electrostatic waves existing due to electrons trapped within EH electrostatic potential. Since the first direct observation [1], EHs have been widely observed in the Earth's magnetosphere: in reconnecting current sheets [2], injection fronts [3], auroral region [4], and many other space plasma systems. EHs have typical spatial scales up to tens of Debye lengths, electric field amplitudes up to hundreds of mV/m and propagate along magnetic field lines with velocities of about electron thermal velocity [5]. The role of EHs in energy dissipation and supporting of large-scale potential drops is under active investigation. The accurate interpretation of spacecraft observations requires understanding of EH evolution in inhomogeneous plasma. The critical role of plasma density gradients in EH evolution was demonstrated in [6] using PIC simulations. Interestingly, up to date no studies have addressed a role of magnetic field gradients in EH evolution. In this report, we use 1.5D gyrokinetic Vlasov code to demonstrate the critical role of magnetic field gradients in EH dynamics. We show that EHs propagating into stronger (weaker) magnetic field are decelerated (accelerated) with deceleration (acceleration) rate dependent on the magnetic field gradient. Remarkably, the reflection points of decelerating EHs are independent of the average magnetic field gradient in the system and depend only on the EH parameters. EHs are decelerated (accelerated) faster than would follow from the "quasi-particle" concept assuming that EH is decelerated (accelerated) entirely due to the mirror force acting on electrons trapped within EH. We demonstrate that EH propagation in inhomogeneous magnetic fields results in development of a net potential drop along an EH, which depends on the magnetic field gradient. The revealed features will be helpful for interpreting spacecraft observations and results of advanced particle simulations. In
Semiclassical approximation to time-dependent Hartree--Fock theory
International Nuclear Information System (INIS)
Dworzecka, M.; Poggioli, R.
1976-01-01
Working within a time-dependent Hartree-Fock framework, one develops a semiclassical approximation appropriate for large systems. It is demonstrated that the standard semiclassical approach, the Thomas-Fermi approximation, is inconsistent with Hartree-Fock theory when the basic two-body interaction is short-ranged (as in nuclear systems, for example). However, by introducing a simple extension of the Thomas-Fermi approximation, one overcomes this problem. One also discusses the infinite nuclear matter problem and point out that time-dependent Hartree-Fock theory yields collective modes of the zero sound variety instead of ordinary hydrodynamic (first) sound. One thus emphasizes that one should be extremely circumspect when attempting to cast the equations of motion of time-dependent Hartree-Fock theory into a hydrodynamic-like form
Semiclassical approximations for gravity and the issue of backreaction
International Nuclear Information System (INIS)
Padmanabhan, T.
1989-01-01
Semiclassical approximations, which are useful in the study of a quantum system interacting with a classical system, are studied and compared. In particular, we consider the Born-Oppenheimer approximation (BOA) (corresponding to G → O at fixed ℎ), the effective action approach (ℎ → O at fixed G) and their combinations. We show that in the strict BOA limit there is no backreaction on gravity. In the effective action approach one can obtain a semi-classical description of gravity, if certain stringent requirements are satisfied. In most situations of interest these conditions will not be met and the O(ℎ) contribution from gravitons will be comparable to that from quantum fields. (author)
Resolution of potential ambiguities through farside angular structure: Semiclassical analysis
International Nuclear Information System (INIS)
Fricke, S.H.; Brandan, M.E.; McVoy, K.W.
1988-01-01
The optical potential fits summarized in the preceding paper are subjected to a semiclassical analysis of the Ford-Wheeler--Knoll-Schaeffer type. The important broad dips in their farside cross sections, which are essential in greatly reducing potential ambiguities, are found (in partial agreement with a suggestion of Goldberg's) to be mainly weak ''Airy'' or rainbow minima, that serve to identify deeply penetrating trajectories. The semiclassical analysis also permits the identification and understanding of a new category of discrete and continuous potential ambiguities, and suggests the manner in which specific features of the angular distributions (such as spacings and depths of various angular minima) determine the Woods-Saxon parameters found by a chi-squared search
Stability and semiclassics in self-generated fields
DEFF Research Database (Denmark)
Erdös, Laszlo; Fournais, Søren; Solovej, Jan Philip
2013-01-01
We consider non-interacting particles subject to a fixed external potential V and a self-generated magnetic field B. The total energy includes the field energy β∫B^2 and we minimize over all particle states and magnetic fields. In the case of spin-1/2 particles this minimization leads...... measuring the field strength in the semiclassical limit is κ=βh. We are not able to give the exact leading order semiclassical asymptotics uniformly in κ or even for fixed κ. We do however give upper and lower bounds on E with almost matching dependence on κ. In the simultaneous limit h→0 and κ→∞ we show...
Semiclassical methods in curved spacetime and black hole thermodynamics
International Nuclear Information System (INIS)
Camblong, Horacio E.; Ordonez, Carlos R.
2005-01-01
Improved semiclassical techniques are developed and applied to a treatment of a real scalar field in a D-dimensional gravitational background. This analysis, leading to a derivation of the thermodynamics of black holes, is based on the simultaneous use of (i) a near-horizon description of the scalar field in terms of conformal quantum mechanics; (ii) a novel generalized WKB framework; and (iii) curved-spacetime phase-space methods. In addition, this improved semiclassical approach is shown to be asymptotically exact in the presence of hierarchical expansions of a near-horizon type. Most importantly, this analysis further supports the claim that the thermodynamics of black holes is induced by their near-horizon conformal invariance
Quantum versus semiclassical description of selftrapping: anharmonic effects
International Nuclear Information System (INIS)
Raghavan, S.; Bishop, A.R.; Kenkre, V.M.
1998-09-01
Selftrapping has been traditionally studied on the assumption that quasiparticles interact with harmonic phonons and that this interaction is linear in the displacement of the phonon. To complement recent semiclassical studies of anharmonicity and nonlinearity in this context, we present below a fully quantum mechanical analysis of a two-site system, where the oscillator is described by a tunably anharmonic potential, with a square well with infinite walls and the harmonic potential as its extreme limits, and wherein the interaction is nonlinear in the oscillator displacement. We find that even highly anharmonic polarons behave similar to their harmonic counterparts in that selftrapping is preserved for long times in the limit of strong coupling, and that the polaronic tunneling time scale depends exponentially on the polaron binding energy. Further, in agreement with earlier results related to harmonic polarons, the semiclassical approximation agrees with the full quantum result in the massive oscillator limit of small oscillator frequency and strong quasiparticle-oscillator coupling. (author)
Semiclassical shell structure and nuclear double-humped fission barriers
Directory of Open Access Journals (Sweden)
A. G. Magner
2010-09-01
Full Text Available We derived the semiclassical trace formulas for the level density as sums over periodic-orbit families and isolated orbits within the improved stationary phase method. Averaged level-density shell corrections and shell-structure energies are continuous through all symmetry-breaking (bifurcation points with the correct asymptotics of the standard stationary phase approach accounting for continuous symmetries. We found enhancement of the nuclear shell structure near bifurcations in the superdeformed region. Our semiclassical results for the averaged level densities with the gross-shell and more thin-shell structures and the energy shell corrections for critical deformations are in good agreement with the quantum calculations for several single-particle Hamiltonians, in particular for the potentials with a sharp spheroidal shape. Enhancement of the shell structure owing to bifurcations of the shortest 3-dimensional orbits from equatorial orbits is responsible for the second well of fission barrier in a superdeformation region.
Semiclassical force for electroweak baryogenesis three-dimensional derivation
Kainulainen, K; Schmidt, M G; Weinstock, S; Kainulainen, Kimmo; Prokopec, Tomislav; Schmidt, Michael G.; Weinstock, Steffen
2002-01-01
We derive a semiclassical transport equation for fermions propagating in the presence of a CP-violating planar bubble wall at a first order electroweak phase transition. Starting from the Kadanoff-Baym (KB) equation for the two-point (Wightman) function we perform an expansion in gradients, or equivalently in the Planck constant h-bar. We show that to first order in h-bar the KB equations have a spectral solution, which allows for an on-shell description of the plasma excitations. The CP-violating force acting on these excitations is found to be enhanced by a boost factor in comparison with the 1+1-dimensional case studied in a former paper. We find that an identical semiclassical force can be obtained by the WKB method. Applications to the MSSM are also mentioned.
Classical properties and semiclassical quantization of a spherical nuclear potential
International Nuclear Information System (INIS)
Carbonell, J.; Brut, F.; Arvieu, R.; Touchard, J.
1984-03-01
The geometrical properties of the classical energy-action surface are studied for a nuclear Woods-Saxon-like spherical potential, in connection with the E.B.K. semiclassical method of quantization. Comparisons are made with other well known cases: the spherical harmonic oscillator and the spherical billiard. The shift of single particle energies from A = 208 to A = 16 is calculated by a simple method inspired by the Erhenfest adiabatic invariants. Semiclassical results are then compared with exact Schroedinger energies. It is seen that the most significant features of the single particle spectrum are explained by local properties of the energy action surface (curvature, slope) and by their evolution with the particle number
Semiclassical and quantum motions on the non-commutative plane
International Nuclear Information System (INIS)
Baldiotti, M.C.; Gazeau, J.P.; Gitman, D.M.
2009-01-01
We study the canonical and the coherent state quantizations of a particle moving in a magnetic field on the non-commutative plane. Using a θ-modified action, we perform the canonical quantization and analyze the gauge dependence of the theory. We compare coherent states quantizations obtained through Malkin-Man'ko states and circular squeezed states. The relation between these states and the 'classical' trajectories is investigated, and we present numerical explorations of some semiclassical quantities.
Semiclassical and quantum motions on the non-commutative plane
Energy Technology Data Exchange (ETDEWEB)
Baldiotti, M.C., E-mail: baldiott@fma.if.usp.b [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318-CEP, 05315-970 Sao Paulo, S.P. (Brazil); Gazeau, J.P., E-mail: gazeau@apc.univ-paris7.f [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318-CEP, 05315-970 Sao Paulo, S.P. (Brazil); Gitman, D.M., E-mail: gitman@dfn.if.usp.b [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318-CEP, 05315-970 Sao Paulo, S.P. (Brazil)
2009-10-19
We study the canonical and the coherent state quantizations of a particle moving in a magnetic field on the non-commutative plane. Using a theta-modified action, we perform the canonical quantization and analyze the gauge dependence of the theory. We compare coherent states quantizations obtained through Malkin-Man'ko states and circular squeezed states. The relation between these states and the 'classical' trajectories is investigated, and we present numerical explorations of some semiclassical quantities.
Quasinormal modes of semiclassical electrically charged black holes
Energy Technology Data Exchange (ETDEWEB)
Fernandez Piedra, Owen Pavel [Departamento de Fisica y Quimica, Facultad de Mecanica, Universidad de Cienfuegos, Carretera a Rodas, km 4, Cuatro Caminos, Cienfuegos (Cuba); De Oliveira, Jeferson, E-mail: opavel@ucf.edu.cu, E-mail: jeferson@fma.if.usp.br [Instituto de Fisica, Universidade de Sao Paulo, CP 66318, 05315-970, Sao Paulo (Brazil)
2011-04-21
We report the results concerning the influence of vacuum polarization due to quantum massive vector, scalar and spinor fields on the scalar sector of quasinormal modes in spherically symmetric charged black holes. The vacuum polarization from quantized fields produces a shift in the values of the quasinormal frequencies, and correspondingly the semiclassical system becomes a better oscillator with respect to the classical Reissner-Nordstroem black hole.
Domain shape dependence of semiclassical corrections to energy
International Nuclear Information System (INIS)
Kwiatkowski, Grzegorz
2017-01-01
Stationary solution of a one-dimensional sine-Gordon system is embedded in a multidimensional theory with an explicitly finite domain in the added spatial dimensions. Semiclassical corrections to energy are calculated for a static kink solution with emphasis on the impact of the scale of the domain as well as the choice of boundary conditions on the results for a rectangular cross-section. (paper)
The Wigner transform and the semi-classical approximations
International Nuclear Information System (INIS)
Shlomo, S.
1985-01-01
The Wigner transform provides a reformulation of quantum mechanics in terms of classical concepts. Some properties of the Wigner transform of the density matrix which justify its interpretation as the quantum-mechanical analog of the classical phase-space distribution function are presented. Considering some applications, it is demonstrated that the Wigner distribution function serves as a good starting point for semi-classical approximations to properties of the (nuclear) many-body system
Semiclassical interpretation of the Aharonov-Bohm effect
International Nuclear Information System (INIS)
Weisz, J.F.
1990-10-01
A semiclassical calculation gives the exact answer for the Aharonov-Bohm phase shift due to a magnetic field; either in free space or in metallic or semiconducting rings. The magnetic vector potential is not required. The effect is interpretable as a special case of energy conservation involving the Lorentz force. The effect is nonlocal because conservation of energy is nonlocal. (author). 11 refs, 2 figs
Spectral statistics in semiclassical random-matrix ensembles
International Nuclear Information System (INIS)
Feingold, M.; Leitner, D.M.; Wilkinson, M.
1991-01-01
A novel random-matrix ensemble is introduced which mimics the global structure inherent in the Hamiltonian matrices of autonomous, ergodic systems. Changes in its parameters induce a transition between a Poisson and a Wigner distribution for the level spacings, P(s). The intermediate distributions are uniquely determined by a single scaling variable. Semiclassical constraints force the ensemble to be in a regime with Wigner P(s) for systems with more than two freedoms
Quantum Bound to Chaos and the Semiclassical Limit
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.
A wave propagation matrix method in semiclassical theory
International Nuclear Information System (INIS)
Lee, S.Y.; Takigawa, N.
1977-05-01
A wave propagation matrix method is used to derive the semiclassical formulae of the multiturning point problem. A phase shift matrix and a barrier transformation matrix are introduced to describe the processes of a particle travelling through a potential well and crossing a potential barrier respectively. The wave propagation matrix is given by the products of phase shift matrices and barrier transformation matrices. The method to study scattering by surface transparent potentials and the Bloch wave in solids is then applied
Electron-phonon thermalization in a scalable method for real-time quantum dynamics
Rizzi, Valerio; Todorov, Tchavdar N.; Kohanoff, Jorge J.; Correa, Alfredo A.
2016-01-01
We present a quantum simulation method that follows the dynamics of out-of-equilibrium many-body systems of electrons and oscillators in real time. Its cost is linear in the number of oscillators and it can probe time scales from attoseconds to hundreds of picoseconds. Contrary to Ehrenfest dynamics, it can thermalize starting from a variety of initial conditions, including electronic population inversion. While an electronic temperature can be defined in terms of a nonequilibrium entropy, a Fermi-Dirac distribution in general emerges only after thermalization. These results can be used to construct a kinetic model of electron-phonon equilibration based on the explicit quantum dynamics.
Time-resolved imaging of purely valence-electron dynamics during a chemical reaction
DEFF Research Database (Denmark)
Hockett, Paul; Bisgaard, Christer Z.; Clarkin, Owen J.
2011-01-01
Chemical reactions are manifestations of the dynamics of molecular valence electrons and their couplings to atomic motions. Emerging methods in attosecond science can probe purely electronic dynamics in atomic and molecular systems(1-6). By contrast, time-resolved structural-dynamics methods...... such as electron(7-10) or X-ray diffraction(11) and X-ray absorption(12) yield complementary information about the atomic motions. Time-resolved methods that are directly sensitive to both valence-electron dynamics and atomic motions include photoelectron spectroscopy(13-15) and high-harmonic generation(16......,17): in both cases, this sensitivity derives from the ionization-matrix element(18,19). Here we demonstrate a time-resolved molecular-frame photoelectron-angular-distribution (TRMFPAD) method for imaging the purely valence-electron dynamics during a chemical reaction. Specifically, the TRMFPADs measured during...
Chaos in the Dicke model: quantum and semiclassical analysis
International Nuclear Information System (INIS)
Bastarrachea-Magnani, Miguel Angel; Hirsch, Jorge G; López-del-Carpio, Baldemar; Lerma-Hernández, Sergio
2015-01-01
The emergence of chaos in an atom-field system is studied employing both semiclassical and numerical quantum techniques, taking advantage of the algebraic character of the Hamiltonian. A semiclassical Hamiltonian is obtained by considering the expectation value of the quantum Hamiltonian in Glauber (for the field) and Bloch (for the atoms) coherent states. Regular and chaotic regions are identified by looking at the Poincaré sections for different energies and parameter values. An analytical expression for the semiclassical energy density of states is obtained by integrating the available phase space, which provides an exact unfolding to extract the fluctuations in the level statistics. Quantum chaos is recognized in these fluctuations, as a function of the coupling strength, for different regions in the energy spectrum, evaluating the Anderson–Darling (A–D) parameter, which distinguishes the Wigner- or Poisson-like distributions. Peres lattices play a role similar to the Poincaré section for quantum states. They are calculated employing efficient numerical solutions and are a powerful visual tool to identify individual states belonging to a regular or chaotic region, classified by utilizing the Poincaré sections and the A–D parameter. Finally, the quantum Husimi function for selected excited states is shown to have a noticeable similitude with the Poincaré sections at the same energy. (invited comment)
Matsuoka, Takahide; Takatsuka, Kazuo
2017-04-07
A theory for dynamics of molecular photoionization from nonadiabatic electron wavepackets driven by intense pulse lasers is proposed. Time evolution of photoelectron distribution is evaluated in terms of out-going electron flux (current of the probability density of electrons) that has kinetic energy high enough to recede from the molecular system. The relevant electron flux is in turn evaluated with the complex-valued electronic wavefunctions that are time evolved in nonadiabatic electron wavepacket dynamics in laser fields. To uniquely rebuild such wavefunctions with its electronic population being lost by ionization, we adopt the complex-valued natural orbitals emerging from the electron density as building blocks of the total wavefunction. The method has been implemented into a quantum chemistry code, which is based on configuration state mixing for polyatomic molecules. Some of the practical aspects needed for its application will be presented. As a first illustrative example, we show the results of hydrogen molecule and its isotope substitutes (HD and DD), which are photoionized by a two-cycle pulse laser. Photon emission spectrum associated with above threshold ionization is also shown. Another example is taken from photoionization dynamics from an excited state of a water molecule. Qualitatively significant effects of nonadiabatic interaction on the photoelectron spectrum are demonstrated.
Dynamics of zonal shear collapse with hydrodynamic electrons
Hajjar, R. J.; Diamond, P. H.; Malkov, M. A.
2018-06-01
This paper presents a theory for the collapse of the edge zonal shear layer, as observed at the density limit at low β. This paper investigates the scaling of the transport and mean profiles with the adiabaticity parameter α, with special emphasizes on fluxes relevant to zonal flow (ZF) generation. We show that the adiabaticity parameter characterizes the strength of production of zonal flows and so determines the state of turbulence. A 1D reduced model that self-consistently describes the spatiotemporal evolution of the mean density n ¯ , the azimuthal flow v¯ y , and the turbulent potential enstrophy ɛ=⟨(n˜ -∇2ϕ˜ ) 2/2 ⟩ —related to fluctuation intensity—is presented. Quasi-linear analysis determines how the particle flux Γn and vorticity flux Π=-χy∇2vy+Πre s scale with α, in both hydrodynamic and adiabatic regimes. As the plasma response passes from adiabatic (α > 1) to hydrodynamic (α y=Πre s/χy —representative of the strength of the shear—also drops. The shear layer then collapses and turbulence is enhanced. The collapse is due to a decrease in ZF production, not an increase in damping. A physical picture for the onset of collapse is presented. The findings of this paper are used to motivate an explanation of the phenomenology of low β density limit evolution. A change from adiabatic ( α=kz2vth 2/(|ω|νei)>1 ) to hydrodynamic (α < 1) electron dynamics is associated with the density limit.
International Nuclear Information System (INIS)
Wang Cong; Jiang Lan; Wang Feng; Li Xin; Yuan Yanping; Xiao Hai; Tsai, Hai-Lung; Lu Yongfeng
2012-01-01
A real-time and real-space time-dependent density functional is applied to simulate the nonlinear electron-photon interactions during shaped femtosecond laser pulse train ablation of diamond. Effects of the key pulse train parameters such as the pulse separation, spatial/temporal pulse energy distribution and pulse number per train on the electron excitation and energy absorption are discussed. The calculations show that photon-electron interactions and transient localized electron dynamics can be controlled including photon absorption, electron excitation, electron density, and free electron distribution by the ultrafast laser pulse train. (paper)
Zhao, Jing; Wang, Mei; Fu, Aiyun; Yang, Hongfang; Bu, Yuxiang
2015-08-03
We present an ab initio molecular dynamics (AIMD) simulation study into the transfer dynamics of an excess electron from its cavity-shaped hydrated electron state to a hydrated nucleobase (NB)-bound state. In contrast to the traditional view that electron localization at NBs (G/A/C/T), which is the first step for electron-induced DNA damage, is related only to dry or prehydrated electrons, and a fully hydrated electron no longer transfers to NBs, our AIMD simulations indicate that a fully hydrated electron can still transfer to NBs. We monitored the transfer dynamics of fully hydrated electrons towards hydrated NBs in aqueous solutions by using AIMD simulations and found that due to solution-structure fluctuation and attraction of NBs, a fully hydrated electron can transfer to a NB gradually over time. Concurrently, the hydrated electron cavity gradually reorganizes, distorts, and even breaks. The transfer could be completed in about 120-200 fs in four aqueous NB solutions, depending on the electron-binding ability of hydrated NBs and the structural fluctuation of the solution. The transferring electron resides in the π*-type lowest unoccupied molecular orbital of the NB, which leads to a hydrated NB anion. Clearly, the observed transfer of hydrated electrons can be attributed to the strong electron-binding ability of hydrated NBs over the hydrated electron cavity, which is the driving force, and the transfer dynamics is structure-fluctuation controlled. This work provides new insights into the evolution dynamics of hydrated electrons and provides some helpful information for understanding the DNA-damage mechanism in solution. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
New mixed quantum/semiclassical propagation method
International Nuclear Information System (INIS)
Antoniou, Dimitri; Gelman, David; Schwartz, Steven D.
2007-01-01
The authors developed a new method for calculating the quantum evolution of multidimensional systems, for cases in which the system can be assumed to consist of a quantum subsystem and a bath subsystem of heavier atoms. The method combines two ideas: starting from a simple frozen Gaussian description of the bath subsystem, then calculate quantum corrections to the propagation of the quantum subsystem. This follows from recent work by one of them, showing how one can calculate corrections to approximate evolution schemes, even when the Hamiltonian that corresponds to these approximate schemes is unknown. Then, they take the limit in which the width of the frozen Gaussians approaches zero, which makes the corrections to the evolution of the quantum subsystem depend only on classical bath coordinates. The test calculations they present use low-dimensional systems, in which comparison to exact quantum dynamics is feasible
International Nuclear Information System (INIS)
Souto, J; Alemany, M M G; Gallego, L J; González, L E; González, D J
2013-01-01
We report an ab initio molecular dynamics study of the static, dynamic and electronic properties of the liquid Bi x Li 1−x alloy, which is a complex binary system with a marked tendency to heterocoordination. The calculated total static structure factors are in good agreement with the available experimental data. The partial dynamic structure factors exhibit side peaks indicative of propagating density fluctuations, and for some concentrations we have found a density fluctuation mode with phase velocity greater than the hydrodynamic sound velocity. We have also evaluated other dynamical properties such as the diffusion coefficients, the shear viscosity and the adiabatic sound velocity. The electronic density of states show that the liquid Bi x Li 1−x alloy has a metallic character, although with strong deviations from the free-electron parabolic curve. The results reported improve the understanding of binary liquid alloys with both fast and slow propagating collective modes. (paper)
Generalized Gibbs distribution and energy localization in the semiclassical FPU problem
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.
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.
Energy Technology Data Exchange (ETDEWEB)
Woellert, Anton
2016-07-27
Pair production of electron-positron pairs in ultra-intense laser fields is considered in this work. Two regimes are investigated separately. The first regime is the so-called tunnel regime of pair production. The existing tunneling picture which is applicable in this regime will be enhanced by the effects of a magnetic field and an additional, perturbatively treated photon. Both effects are incorporated by the semi-classical approximation. In contrast, no straightforward approach exists so far for the second regime of pair production. Therefore, numerical calculations will be carried out by applying the framework of the in/out-formalism in external fields. These simulations show non-trivial effects that are be expected in this regime. Specifically, the influence of the electromagnetic fields' polarization upon the produced pair spectra is investigated. Furthermore, multi-pair states are studied.
Joubert-Doriol, Loïc; Izmaylov, Artur F.
2018-03-01
A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new approach is the elimination of any global or local model representation of electronic potential energy surfaces; instead, the electron-nuclear interaction is treated explicitly using the Gaussian integration. As a result, the new scheme does not introduce any uncontrolled approximations. The employed variational principle ensures the energy conservation and leaves the number of electronic and nuclear basis functions as the only parameter determining the accuracy. To assess performance of the approach, a model with two electronic and two nuclear spacial degrees of freedom containing conical intersections between potential energy surfaces has been considered. Dynamical features associated with nonadiabatic transitions and nontrivial geometric (or Berry) phases were successfully reproduced within a limited basis expansion.
International Nuclear Information System (INIS)
Hoffman, M J H; Claassens, C H
2006-01-01
A density matrix based fictitious electron dynamics method for calculating electronic structure has been implemented within a semi-empirical quantum chemistry environment. This method uses an equation of motion that implicitly ensures the idempotency constraint on the density matrix. Test calculations showed that this method has potential of being combined with simultaneous atomic dynamics, in analogy to the popular Car-Parrinello method. In addition, the sparsity of the density matrix and the sophisticated though flexible way of ensuring idempotency conservation while integrating the equation of motion creates the potential of developing a fast linear scaling method
International Nuclear Information System (INIS)
Thompson, K.; Martinez, T.J.
1999-01-01
We present a new approach to first-principles molecular dynamics that combines a general and flexible interpolation method with ab initio evaluation of the potential energy surface. This hybrid approach extends significantly the domain of applicability of ab initio molecular dynamics. Use of interpolation significantly reduces the computational effort associated with the dynamics over most of the time scale of interest, while regions where potential energy surfaces are difficult to interpolate, for example near conical intersections, are treated by direct solution of the electronic Schroedinger equation during the dynamics. We demonstrate the concept through application to the nonadiabatic dynamics of collisional electronic quenching of Li(2p). Full configuration interaction is used to describe the wave functions of the ground and excited electronic states. The hybrid approach agrees well with full ab initio multiple spawning dynamics, while being more than an order of magnitude faster. copyright 1999 American Institute of Physics
Energy Technology Data Exchange (ETDEWEB)
Smith, Albert A.; Corzilius, Björn; Haze, Olesya; Swager, Timothy M.; Griffin, Robert G., E-mail: rgg@mit.edu [Department of Chemistry and Francis Bitter Magnet Laboratory, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)
2013-12-07
We present electron paramagnetic resonance experiments for which solid effect dynamic nuclear polarization transitions were observed indirectly via polarization loss on the electron. This use of indirect observation allows characterization of the dynamic nuclear polarization (DNP) process close to the electron. Frequency profiles of the electron-detected solid effect obtained using trityl radical showed intense saturation of the electron at the usual solid effect condition, which involves a single electron and nucleus. However, higher order solid effect transitions involving two, three, or four nuclei were also observed with surprising intensity, although these transitions did not lead to bulk nuclear polarization—suggesting that higher order transitions are important primarily in the transfer of polarization to nuclei nearby the electron. Similar results were obtained for the SA-BDPA radical where strong electron-nuclear couplings produced splittings in the spectrum of the indirectly observed solid effect conditions. Observation of high order solid effect transitions supports recent studies of the solid effect, and suggests that a multi-spin solid effect mechanism may play a major role in polarization transfer via DNP.
Energy Technology Data Exchange (ETDEWEB)
Yamamoto, Kentaro, E-mail: kyamamoto@fukui.kyoto-u.ac.jp; Takatsuka, Kazuo, E-mail: kaztak@fukui.kyoto-u.ac.jp
2016-08-22
Graphical abstract: Asymptotic biradical state produced by the excited-state coupled proton–electron transfer (CPET), resulting in charge separation (proton–electron pair creation) on a proton–electron acceptor A, in a series of photochemical systems generally denoted as X–Mn–OH{sub 2}⋯A, where X = (OH, Ca(OH){sub 3}) and A = (N-methylformamidine, guanidine, imidazole, or ammonia clusters). - Abstract: In this perspective article, we review, along with presenting new results, a series of our theoretical analyses on the excited-state mechanism of charge separation (proton–electron pair creation) relevant to the photoinduced water-splitting reaction (2H{sub 2}O → 4H{sup +} + 4e{sup −} + O{sub 2}) in organic and biological systems, which quite often includes Mn clusters in various molecular configurations. The present mechanism is conceived to be universal in the triggering process of the photoexcited water splitting dynamics. In other words, any Mn-based catalytic charge separation is quite likely to be initiated according to this mechanism. As computationally tractable yet realistic models, we examine a series of systems generally expressed as X–Mn–OH{sub 2}⋯A, where X = (OH, Ca(OH){sub 3}) and A = (N-methylformamidine, guanidine, imidazole or ammonia cluster) in terms of the theory of nonadiabatic electron wavepacket dynamics. We first find both an electron and a proton are simultaneously transferred to the acceptors through conical intersections upon photoexcitation. In this mechanism, the electron takes different pathways from that of the proton and reaches the densely lying Rydberg-like states of the acceptors in the end, thereby inducing charge separation. Therefore the presence of the Rydberg-like diffused unoccupied states as an electron acceptor is critical for this reaction to proceed. We also have found another crucial nonadiabatic process that deteriorates the efficiency of charge separation by rendering the created pair of proton
Dynamics of electrons in gradient nanostructures (exactly solvable model)
Czech Academy of Sciences Publication Activity Database
Shvartsburg, A. B.; Kuzmiak, Vladimír; Petite, G.
2009-01-01
Roč. 72, č. 1 (2009), s. 77-88 ISSN 1434-6028 Institutional research plan: CEZ:AV0Z20670512 Keywords : wave propagation * tunneling * electronic transport Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.466, year: 2009
Dynamics of Pierce instability of hot electron beams
International Nuclear Information System (INIS)
Ignatov, A.M.; Novikov, V.N.
1986-01-01
On the base of a new method of numerical solution of the Vlasov equation evolution of complete function of electron distribution at the injection of hot electron beams into plasma bounded with electrodes is investigated. It is shown that despite the development of electrostatic instabilities in the system the currents can run substantially exceeding the Pierce critical current
Attosecond-correlated dynamics of two electrons in argon
Indian Academy of Sciences (India)
2014-01-11
Jan 11, 2014 ... 2Max-Planck-Institut für Kernphysik, 69117 Heidelberg, Germany ... involving a highly correlated electronic transition state. ... laser is low, the recolliding electron can have a maximum energy of about 15 eV which.
Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole
2018-04-01
We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead in time-dependent density-functional theory. Based on this system, we develop a time-nonlocal exchange-correlation potential by exploiting analogies with quantum-transport theory. The time nonlocality manifests itself in a dynamical potential step. We explicitly link the time evolution of the dynamical step to physical relaxation timescales of the electron dynamics. Finally, we discuss prospects for simulations of larger mesoscopic systems.
International Nuclear Information System (INIS)
Kotler, Z.; Neria, E.; Nitzan, A.
1991-01-01
The use of the time-dependent self-consistent field approximation (TDSCF) in the numerical solution of quantum curve crossing and tunneling dynamical problems is investigated. Particular emphasis is given to multiconfiguration TDSCF (MCTDSCF) approximations, which are shown to perform considerably better with only a small increase in computational effort. We investigate a number of simple models in which a 'system' characterized by two electronic potential surfaces evolves while interacting with a 'bath' mode described by an harmonic oscillator, and compare exact numerical solutions to one- and two-configuration TDSCF approximations. We also introduce and investigate a semiclassical approximation in which the 'bath' mode is described by semiclassical wavepackets (one for each electronic state) and show that for all models investigated this scheme works very well in comparison with the fully quantum MCTDSCF approximation. This provides a potentially very useful method to simulate strongly quantum systems coupled to an essentially classical environment. (orig.)
International Nuclear Information System (INIS)
Malegat, L.; Kazansky, A.; Selles, P.
1999-01-01
We introduce a new method for computing photo double ionization (PDI) cross sections for two electron atoms. It is formulated in terms of the hyperspherical radius R and relies upon a combination of R matrix techniques in the inner region R≤R 0 with a semiclassical approximation for the R motion in the outer region. We present a first application of this method to the PDI of He within a model of reduced dimensionality where r 1 =r 2 . It demonstrates the validity of our numerical scheme and provides a first quantitative estimate of the energy domain of validity of the Wannier mechanism. (orig.)
Some aspects of electron dynamics in solid alkanes
International Nuclear Information System (INIS)
Cheng, I.I.; Funabashi, K.
1975-01-01
The excess electron mobility in 3-methylpentane (3MP) is in the range of 0.02-0.1 cm 2 /v.s. for 4.2-85 0 K. The mobility is nearly independent of temperature below 35 0 K, while the activation energy is about 0.01 eV for 35 0 K-85 0 K. The magnitude of mobility and its temperature dependence are consistent with the hopping and tunneling motion of electron between trapped (or localized) states. The decay kinetics of the absorption spectrum of trapped electrons in 3MP also suggest the presence of many trapping sites, and a small mean free path of retrapping for a quasi-free electron. It is conjectured that the electron-transport in 3MP glass is the phonon-assisted hopping or tunneling and the mean free path (or the mobility) at the quasi-free state is not as large as 100 A (or 150 cm 2 /v.s.). The mean free path of scattering for an excess electron at the quasi-free level in various alkane glasses can be found approximately from measurement of attenuation constants for electron beams (Chang and Berry). The relationship of these attenuation constants with V 0 (quasi-free state) will be discussed. The effect of electron-phonon coupling on the effective mass of excess electrons will also be discussed in terms of a simple model. The effective mass is a sensitive function of the ratio of the relaxation energy to the phonon energy
Ultrafast equilibration of excited electrons in dynamical simulations.
Lin, Zhibin; Allen, Roland E
2009-12-02
In our density-functional-based simulations of materials responding to femtosecond-scale laser pulses, we have observed a potentially useful phenomenon: the excited electrons automatically equilibrate to a Fermi-Dirac distribution within ∼100 fs, solely because of their coupling to the nuclear motion, even though the resulting electronic temperature is one to two orders of magnitude higher than the kinetic temperature defined by the nuclear motion. Microscopic simulations like these can then provide the separate electronic and kinetic temperatures, chemical potentials, pressures, and nonhydrostatic stresses as input for studies on larger lengths and timescales.
Runaway electrons dynamics and confinement in Tore-Supra
International Nuclear Information System (INIS)
Chatelier, M.; Geraud, A.; Joyer, P.; Martin, G.; Rax, J.M.
1989-01-01
The lack of energy of runaway electrons, confined in Tore Supra tokamak, is studied. Ohmic discharges, obtained with helium gas, exhibit a small amount of runaway electrons on both hard X-ray monitors and neutron sensors. The observations show an important lack of energy for runaway electrons confined in Tore Supra. It is assumed to be dued to a small pitch-angle scattering (a few degrees), and many candidates for this are compared: the strongest known one collisions seems not to be enough by an order of magnitude. Density and magnetic scans on Tore Supra are needed to discriminate between enhanced collisional scattering processes and purely magnetic phenomena
Scale-invariant curvature fluctuations from an extended semiclassical gravity
Energy Technology Data Exchange (ETDEWEB)
Pinamonti, Nicola, E-mail: pinamont@dima.unige.it, E-mail: siemssen@dima.unige.it [Dipartimento di Matematica, Università di Genova, Via Dodecaneso 35, 16146 Genova (Italy); INFN Sezione di Genova, Via Dodecaneso 33, 16146 Genova (Italy); Siemssen, Daniel, E-mail: pinamont@dima.unige.it, E-mail: siemssen@dima.unige.it [Dipartimento di Matematica, Università di Genova, Via Dodecaneso 35, 16146 Genova (Italy)
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.
Semiclassical theory of magnetoresistance in positionally disordered organic semiconductors
Harmon, N. J.; Flatté, M. E.
2012-02-01
A recently introduced percolative theory of unipolar organic magnetoresistance is generalized by treating the hyperfine interaction semiclassically for an arbitrary hopping rate. Compact analytic results for the magnetoresistance are achievable when carrier hopping occurs much more frequently than the hyperfine field precession period. In other regimes the magnetoresistance can be straightforwardly evaluated numerically. Slow and fast hopping magnetoresistance are found to be uniquely characterized by their line shapes. We find that the threshold hopping distance is analogous a phenomenological two-site model's branching parameter, and that the distinction between slow and fast hopping is contingent on the threshold hopping distance.
Semiclassical expansions of the nuclear relativistic Hartree-Fock theory
International Nuclear Information System (INIS)
Weigel, M.K.; Haddad, S.
1991-01-01
Semiclassical expansions for Green functions, self-energy, phase-space density and density are given and discussed. The many-body problem was treated in the relativistic Hartree-Fock approximation with a Lagrangian with a standard OBE potential structure including the possibility of space-dependent couplings. The expansions are obtained by formulating the many-body problem in the mixed position-momentum (Wigner) representation and application of the (h/2π)-Wigner-Kirkwood expansion scheme. The resulting self-consistency problems for the zeroth and second order are formulated in three versions. (author)
Quadratic Forms and Semiclassical Eigenfunction Hypothesis for Flat Tori
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 Loop Quantum Gravity and Black Hole Thermodynamics
Directory of Open Access Journals (Sweden)
Arundhati Dasgupta
2013-02-01
Full Text Available In this article we explore the origin of black hole thermodynamics using semiclassical states in loop quantum gravity. We re-examine the case of entropy using a density matrix for a coherent state and describe correlations across the horizon due to SU(2 intertwiners. We further show that Hawking radiation is a consequence of a non-Hermitian term in the evolution operator, which is necessary for entropy production or depletion at the horizon. This non-unitary evolution is also rooted in formulations of irreversible physics.
Quantum Nuclear Extension of Electron Nuclear Dynamics on Folded Effective-Potential Surfaces
DEFF Research Database (Denmark)
Hall, B.; Deumens, E.; Ohrn, Y.
2014-01-01
A perennial problem in quantum scattering calculations is accurate theoretical treatment of low energy collisions. We propose a method of extracting a folded, nonadiabatic, effective potential energy surface from electron nuclear dynamics (END) trajectories; we then perform nuclear wave packet...
Quasirelativism, narrowband properties and forced dynamics of electrons in solids
Pavlov, B S; Strepetov, A V
2002-01-01
The narrow-zone semiconductors, which are applied for creating the quantum networks, characterized by small effective masses of electrons at the Fermi level and consequently by high electron mobility in the lattice. The obviously soluble model, clarifying one of the possible mechanisms for the small effective masses origination, is constructed in the proposed work. The other mathematical model, constructed in this work, describes the possible mechanism for controlling the alternating quantum current by the one-dimensional lattice through a travelling wave
Storm-time radiation belt electron dynamics: Repeatability in the outer radiation belt
Murphy, K. R.; Mann, I. R.; Rae, J.; Watt, C.; Boyd, A. J.; Turner, D. L.; Claudepierre, S. G.; Baker, D. N.; Spence, H. E.; Reeves, G. D.; Blake, J. B.; Fennell, J. F.
2017-12-01
During intervals of enhanced solar wind driving the outer radiation belt becomes extremely dynamic leading to geomagnetic storms. During these storms the flux of energetic electrons can vary by over 4 orders of magnitude. Despite recent advances in understanding the nature of competing storm-time electron loss and acceleration processes the dynamic behavior of the outer radiation belt remains poorly understood; the outer radiation belt can exhibit either no change, an enhancement, or depletion in radiation belt electrons. Using a new analysis of the total radiation belt electron content, calculated from the Van Allen probes phase space density (PSD), we statistically analyze the time-dependent and global response of the outer radiation belt during storms. We demonstrate that by removing adiabatic effects there is a clear and repeatable sequence of events in storm-time radiation belt electron dynamics. Namely, the relativistic (μ=1000 MeV/G) and ultra-relativistic (μ=4000 MeV/G) electron populations can be separated into two phases; an initial phase dominated by loss followed by a second phase dominated by acceleration. At lower energies, the radiation belt seed population of electrons (μ=150 MeV/G) shows no evidence of loss but rather a net enhancement during storms. Further, we investigate the dependence of electron dynamics as a function of the second adiabatic invariant, K. These results demonstrate a global coherency in the dynamics of the source, relativistic and ultra-relativistic electron populations as function of the second adiabatic invariant K. This analysis demonstrates two key aspects of storm-time radiation belt electron dynamics. First, the radiation belt responds repeatably to solar wind driving during geomagnetic storms. Second, the response of the radiation belt is energy dependent, relativistic electrons behaving differently than lower energy seed electrons. These results have important implications in radiation belt research. In particular
Energy Technology Data Exchange (ETDEWEB)
Bernard, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires
1967-04-01
The theoretical characteristics of the electron linear accelerator are: 30 MeV for the energy W{sub S} and 250 mA for the peak current I{sub c}. The main utilization is the intense production of fast neutrons by the reactions ({gamma},n) and ({gamma},f) induced in a target of natural uranium by the accelerated electrons. In the first part of the thesis, relative to the study and the realization of the accelerator, a new equation of dispersion is established analytically when the guide is loaded with round-edged irises. The relation is compared with the equation established by CHU and Hansen, WALKINSHAW, KVASIL in the case of a guide loaded with flat-edged irises. The experimental and theoretical curves of dispersion are compared. The accuracy of every relation of dispersion is estimated. The second part of the thesis is relative to the theoretical study of the electrons dynamics in the guide; it allows the derivation of the parameters of the beam: dispersion of phase, energy, dispersion of energy and the relation W{sub S} = f (I{sub c}). The results relative to the first experiments are given and compared with the theoretical expectations. (author) [French] Les caracteristiques nominales theoriques de l'accelerateur lineaire d'electrons sont: 30 MeV pour l'energie W{sub S} et 250 mA pour le courant de crete I{sub c}. L'utilisation principale envisagee est la production de neutrons rapides par les reactions ({gamma},n) et ({gamma},f) induites dans une cible d'uranium naturel par les electrons acceleres. Dans la premiere partie de la these relative a l'elude et a la realisation de l'accelerateur, une nouvelle equation de dispersion (ou equation aux frequences) est etablie analytiquement pour un guide charge par des iris a bord rond. Cette relation est comparee a celles etablies par CHU et HANSEN, WALKINSHAW, KVASIL dans le cas du guide charge par des iris a bord plat. On compare les courbes de dispersion theoriques et experimentales et on evalue la precision de
The hyperbola billiard: A model for the semiclassical quantization of chaotic systems
International Nuclear Information System (INIS)
Sieber, M.
1991-04-01
Classical and quantum mechanical properties of a chaotic billiard system are studied with special emphasis on a detailed numerical investigation of the periodic-orbit theory of Gutzwiller. This theory gives semiclassical approximations to the quantum mechanical energies of a classically chaotic system by means of a sum over all periodic orbits of the system. Parts of the derivation of the periodic-orbit theory are reviewed. The convergence properties of the periodic-orbit sum are discussed and smoothing techniques are introduced, which allow the determination of the energies by absolutely convergent sums. A code is introduced for the periodic orbits of the hyperbola billiard, a chaotic system which is bounded by the x-axis, the y-axis and the hyperbola y=1/x. An extremum principle for the periodic orbits is proved, which allows a very fast and accurate determination of the periodic orbits. The distributions of lengths and Lyapunov exponents of the orbits are studied. The quantum mechanical energies of the hyperbola billiard are determined by a boundary element method. A correction to the asymptotic approximation for the spectral staircase N(E), which counts the number of energy eigenvalues of the Schroedinger equation below a given energy E, is determined numerically. The properties of the periodic-orbit theory are investigated by an evaluation of the unsmoothed Gutzwiller trace formula and various versions of smoothed trace formulae. The advantage of different smoothing methods are discussed and compared. The effect of the semiclassical approximation is demonstrated by a smoothing, which leads to a truncation of the periodic-orbit sum. An alternative approximation for the energies in terms of a dynamical zeta function is investigated and shown to yield comparable results as the previous trace formulae. An approximation to this zeta function in analogy to the Riemann-Siegel formula for the Riemann zeta function is studied. (orig./HSI)
A self-consistent semiclassical sum rule approach to the average properties of giant resonances
International Nuclear Information System (INIS)
Li Guoqiang; Xu Gongou
1990-01-01
The average energies of isovector giant resonances and the widths of isoscalar giant resonances are evaluated with the help of a self-consistent semiclassical Sum rule approach. The comparison of the present results with the experimental ones justifies the self-consistent semiclassical sum rule approach to the average properties of giant resonances
Semiclassical relations and IR effects in de Sitter and slow-roll space-times
DEFF Research Database (Denmark)
B. Giddings, Steven; Sloth, Martin Snoager
2010-01-01
We calculate IR divergent graviton one-loop corrections to scalar correlators in de Sitter space, and show that the leading IR contribution may be reproduced via simple semiclassical consistency relations. One can likewise use such semiclassical relations to calculate leading IR corrections to co...... with a sharp perturbative calculation of "missing information" in Hawking radiation....
Coupled electron-phonon transport from molecular dynamics with quantum baths
DEFF Research Database (Denmark)
Lu, Jing Tao; Wang, J. S.
2009-01-01
Based on generalized quantum Langevin equations for the tight-binding wavefunction amplitudes and lattice displacements, electron and phonon quantum transport are obtained exactly using molecular dynamics (MD) in the ballistic regime. The electron-phonon interactions can be handled with a quasi...
High dynamic range isotope ratio measurements using an analog electron multiplier
Czech Academy of Sciences Publication Activity Database
Williams, P.; Lorinčík, Jan; Franzreb, K.; Herwig, R.
2013-01-01
Roč. 45, č. 1 (2013), s. 549-552 ISSN 0142-2421 R&D Projects: GA MŠk ME 894 Institutional support: RVO:67985882 Keywords : Isotope ratios * electron multiplier * dynamic range Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.393, year: 2013
Molecular dynamics simulation of the first electron transfer step in the oxygen reduction reaction
Hartnig, C.B.; Koper, M.T.M.
2002-01-01
We present a molecular dynamics simulation of solvent reorganization in the first electron transfer step in the oxygen reduction reaction, i.e. O2+e-¿O2-, modeled as taking place in the outer Helmholtz plane. The first electron transfer step is usually considered the rate-determining step from many
International Nuclear Information System (INIS)
Cassany, B.; Courchinoux, R.; Bertron, I.; Malaise, F.; Hebert, D.
2003-01-01
This paper shows how to use a pulsed electrons beam to simulate the dynamical fragmentation of copper sheets and to eject diamond, tantalum and tungsten micro-particulates at very high speed (∼1000 m/s). These experiments were performed with the electrons generator CESAR of CEA/CESTA (France). (J.S.)
Creation and dynamical co-evolution of electron and ion channel transport barriers
International Nuclear Information System (INIS)
Newman, D.E.
2002-01-01
A wide variety of magnetic confinement devices have found transitions to an enhanced confinement regime. Simple dynamical models have been able to capture much of the dynamics of these barriers however an open question has been the disconnected nature of the electron thermal transport channel sometimes observed in the presence of a standard ('ion channel' barrier. By adding to simple barrier model an evolution equation for electron fluctuations we can investigate the interaction between the formation of the standard ion channel barrier and the somewhat less common electron channel barrier. Barrier formation in the electron channel is even more sensitive to the alignment of the various gradients making up the sheared radial electric field than the ion barrier is. Electron channel heat transport is found to significantly increase after the formation of the ion channel barrier but before the electron channel barrier is formed. This increased transport is important in the barrier evolution. (author)
Attosecond Electron Wave Packet Dynamics in Strong Laser Fields
International Nuclear Information System (INIS)
Johnsson, P.; Remetter, T.; Varju, K.; L'Huillier, A.; Lopez-Martens, R.; Valentin, C.; Balcou, Ph.; Kazamias, S.; Mauritsson, J.; Gaarde, M. B.; Schafer, K. J.; Mairesse, Y.; Wabnitz, H.; Salieres, P.
2005-01-01
We use a train of sub-200 attosecond extreme ultraviolet (XUV) pulses with energies just above the ionization threshold in argon to create a train of temporally localized electron wave packets. We study the energy transfer from a strong infrared (IR) laser field to the ionized electrons as a function of the delay between the XUV and IR fields. When the wave packets are born at the zero crossings of the IR field, a significant amount of energy (∼20 eV) is transferred from the field to the electrons. This results in dramatically enhanced above-threshold ionization in conditions where the IR field alone does not induce any significant ionization. Because both the energy and duration of the wave packets can be varied independently of the IR laser, they are valuable tools for studying and controlling strong-field processes
Electron injection dynamics in high-potential porphyrin photoanodes.
Milot, Rebecca L; Schmuttenmaer, Charles A
2015-05-19
There is a growing need to utilize carbon neutral energy sources, and it is well known that solar energy can easily satisfy all of humanity's requirements. In order to make solar energy a viable alternative to fossil fuels, the problem of intermittency must be solved. Batteries and supercapacitors are an area of active research, but they currently have relatively low energy-to-mass storage capacity. An alternative and very promising possibility is to store energy in chemical bonds, or make a solar fuel. The process of making solar fuel is not new, since photosynthesis has been occurring on earth for about 3 billion years. In order to produce any fuel, protons and electrons must be harvested from a species in its oxidized form. Photosynthesis uses the only viable source of electrons and protons on the scale needed for global energy demands: water. Because artificial photosynthesis is a lofty goal, water oxidation, which is a crucial step in the process, has been the initial focus. This Account provides an overview of how terahertz spectroscopy is used to study electron injection, highlights trends from previously published reports, and concludes with a future outlook. It begins by exploring similarities and differences between dye-sensitized solar cells (DSSCs) for producing electricity and a putative device for splitting water and producing a solar fuel. It then identifies two important problems encountered when adapting DSSC technology to water oxidation-improper energy matching between sensitizer energy levels with the potential for water oxidation and the instability of common anchoring groups in water-and discusses steps to address them. Emphasis is placed on electron injection from sensitizers to metal oxides because this process is the initial step in charge transport. Both the rate and efficiency of electron injection are analyzed on a sub-picosecond time scale using time-resolved terahertz spectroscopy (TRTS). Bio-inspired pentafluorophenyl porphyrins are
Microchannel electron multiplier: improvement in gain performances and detection dynamics
International Nuclear Information System (INIS)
Audier, M.; Delmotte, J.C.; Boutot, J.P.
1978-01-01
The performances of an MCP are a function of its geometrical characteristics (diameter d and ratio 1/d of a channel, useful area) and of the applied voltage. Gain and mean output current are limited by saturation phenomena. By using a particular cascaded MCP's configuration, it is possible to simultaneously improve the gain, its associated fluctuations and the detection dynamics (detected level, counting rate). For gains 10 6 7 , the fluctuations, can be kept as low as 20% and an improvement by a factor > 10 can be obtained on the detection dynamics [fr
Quantum versus semiclassical description of self-trapping: Anharmonic effects
International Nuclear Information System (INIS)
Raghavan, S.; Bishop, A.R.; Kenkre, V.M.
1999-01-01
Self-trapping has been traditionally studied on the assumption that quasiparticles interact with harmonic phonons and that this interaction is linear in the displacement of the phonon. To complement recent semiclassical studies of anharmonicity and nonlinearity in this context, we present below a fully quantum-mechanical analysis of a two-site system, where the oscillator is described by a tunably anharmonic potential, with a square well with infinite walls and the harmonic potential as its extreme limits, and wherein the interaction is nonlinear in the oscillator displacement. We find that even highly anharmonic polarons behave similar to their harmonic counterparts in that self-trapping is preserved for long times in the limit of strong coupling, and that the polaronic tunneling time scale depends exponentially on the polaron binding energy. Further, in agreement, with earlier results related to harmonic polarons, the semiclassical approximation agrees with the full quantum result in the massive oscillator limit of small oscillator frequency and strong quasiparticle-oscillator coupling. copyright 1999 The American Physical Society
Gaussian and 1/N approximations in semiclassical cosmology
International Nuclear Information System (INIS)
Mazzitelli, F.D.; Paz, J.P.
1989-01-01
We study the λphi 4 theory and the interacting O(N) model in a curved background using the Gaussian approximation for the former and the large-N approximation for the latter. We obtain the renormalized version of the semiclassical Einstein equations having in mind a future application of these models to investigate the physics of the very early Universe. We show that, while the Gaussian approximation has two different phases, in the large-N limit only one is present. The different features of the two phases are analyzed at the level of the effective field equations. We discuss the initial-value problem and find the initial conditions that make the theory renormalizable. As an example, we study the de Sitter self-consistent solutions of the semiclassical Einstein equations. Finally, for an identically zero mean value of the field we find the evolution equations for the classical field Ω(x) = (λ 2 >)/sup 1/2/ and the spacetime metric. They are very similar to the ones obtained by replacing the classical potential by the one-loop effective potential in the classical equations but do not have the drawbacks of the one-loop approximation
Semiclassical perturbation theory for diffraction in heavy atom surface scattering.
Miret-Artés, Salvador; Daon, Shauli; Pollak, Eli
2012-05-28
The semiclassical perturbation theory formalism of Hubbard and Miller [J. Chem. Phys. 78, 1801 (1983)] for atom surface scattering is used to explore the possibility of observation of heavy atom diffractive scattering. In the limit of vanishing ℏ the semiclassical theory is shown to reduce to the classical perturbation theory. The quantum diffraction pattern is sensitive to the characteristics of the beam of incoming particles. Necessary conditions for observation of quantum diffraction are derived for the angular width of the incoming beam. An analytic expression for the angular distribution as a function of the angular and momentum variance of the incoming beam is obtained. We show both analytically and through some numerical results that increasing the angular width of the incident beam leads to decoherence of the quantum diffraction peaks and one approaches the classical limit. However, the incoherence of the beam in the parallel direction does not destroy the diffraction pattern. We consider the specific example of Ar atoms scattered from a rigid LiF(100) surface.
Semiclassical quantum gravity: statistics of combinatorial Riemannian geometries
International Nuclear Information System (INIS)
Bombelli, L.; Corichi, A.; Winkler, O.
2005-01-01
This paper is a contribution to the development of a framework, to be used in the context of semiclassical canonical quantum gravity, in which to frame questions about the correspondence between discrete spacetime structures at ''quantum scales'' and continuum, classical geometries at large scales. Such a correspondence can be meaningfully established when one has a ''semiclassical'' state in the underlying quantum gravity theory, and the uncertainties in the correspondence arise both from quantum fluctuations in this state and from the kinematical procedure of matching a smooth geometry to a discrete one. We focus on the latter type of uncertainty, and suggest the use of statistical geometry as a way to quantify it. With a cell complex as an example of discrete structure, we discuss how to construct quantities that define a smooth geometry, and how to estimate the associated uncertainties. We also comment briefly on how to combine our results with uncertainties in the underlying quantum state, and on their use when considering phenomenological aspects of quantum gravity. (Abstract Copyright [2005], Wiley Periodicals, Inc.)
Sign and other aspects of semiclassical Casimir energies
International Nuclear Information System (INIS)
Schaden, Martin
2006-01-01
The Casimir energy of a massless scalar field is semiclassically given by contributions due to classical periodic rays. The required subtractions in the spectral density are determined explicitly. The semiclassical Casimir energies so defined coincide with those of zeta function regularization in the cases studied. Poles in the analytic continuation of zeta function regularization are related to nonuniversal subtractions in the spectral density. The sign of the Casimir energy of a scalar field on a smooth manifold is estimated by the sign of the contribution due to the shortest periodic rays only. Demanding continuity of the Casimir energy under small deformations of the manifold, the method is extended to integrable systems. The Casimir energy of a massless scalar field on a manifold with boundaries includes contributions due to periodic rays that lie entirely within the boundaries. These contributions in general depend on the boundary conditions. Although the Casimir energy due to a massless scalar field may be sensitive to the physical dimensions of manifolds with boundary. In favorable cases its sign can, contrary to conventional wisdom, be inferred without calculation of the Casimir energy
Absorption distances in the dynamical theory of electron diffraction
International Nuclear Information System (INIS)
Kamiya, Yoshihiko; Goto, Toshiaki.
1982-01-01
The contrast effect of the electron microscopic image at crystal defects is characterized by two parameters; extincion distance and absorption distance. Both quantities are orginally defined for the elastic scattering. Since the inelastic scattering contributes to the electron microscopic image, parameters used for the interpretation of the images are not the same as those for the elastic scattering. It is shown that the difference of absorption distance beteen the theoretical estimation and that used for interpretation is due to the contrst effect of the small angle inelastic scattering. (author)
Electron plasma dynamics during autoresonant excitation of the diocotron mode
Energy Technology Data Exchange (ETDEWEB)
Baker, C. J., E-mail: cbaker@physics.ucsd.edu; Danielson, J. R., E-mail: jrdanielson@ucsd.edu; Hurst, N. C., E-mail: nhurst@physics.ucsd.edu; Surko, C. M., E-mail: csurko@ucsd.edu [Physics Department, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093 (United States)
2015-02-15
Chirped-frequency autoresonant excitation of the diocotron mode is used to move electron plasmas confined in a Penning-Malmberg trap across the magnetic field for advanced plasma and antimatter applications. Plasmas of 10{sup 8} electrons, with radii small compared to that of the confining electrodes, can be moved from the magnetic axis to ≥90% of the electrode radius with near unit efficiency and reliable angular positioning. Translations of ≥70% of the wall radius are possible for a wider range of plasma parameters. Details of this process, including phase and displacement oscillations in the plasma response and plasma expansion, are discussed, as well as possible extensions of the technique.
Fast electrons from multi-electron dynamics in xenon clusters induced by inner-shell ionization
International Nuclear Information System (INIS)
Bostedt, Christoph; Thomas, Heiko; Hoener, Matthias; Moeller, Thomas; Saalmann, Ulf; Georgescu, Ionut; Gnodtke, Christian; Rost, Jan-Michael
2010-01-01
Fast electrons emitted from xenon clusters in strong femtosecond 90 eV pulses have been measured at the Free-electron Laser in Hamburg (FLASH). Energy absorption occurs mainly through atomic inner-shell photo-ionization. Photo-electrons are trapped in the strong Coulomb potential of the cluster ions and form a non-equilibrium plasma with supra-atomic density. Its equilibration through multiple energy-exchanging collisions within the entire cluster volume produces electrons with energies well beyond the dominant emission line of atomic xenon. Here, in contrast to traditional low-frequency laser plasma heating, the plasma gains energy from electrons delivered through massive single-photon excitation from bound states. Electron emission induced by thermalization of a non-equilibrium plasma is expected to be a general phenomenon occurring for strong atomic x-ray absorption in extended systems.
Adiabatic perturbation theory in quantum dynamics
Teufel, Stefan
2003-01-01
Separation of scales plays a fundamental role in the understanding of the dynamical behaviour of complex systems in physics and other natural sciences. A prominent example is the Born-Oppenheimer approximation in molecular dynamics. This book focuses on a recent approach to adiabatic perturbation theory, which emphasizes the role of effective equations of motion and the separation of the adiabatic limit from the semiclassical limit. A detailed introduction gives an overview of the subject and makes the later chapters accessible also to readers less familiar with the material. Although the general mathematical theory based on pseudodifferential calculus is presented in detail, there is an emphasis on concrete and relevant examples from physics. Applications range from molecular dynamics to the dynamics of electrons in a crystal and from the quantum mechanics of partially confined systems to Dirac particles and nonrelativistic QED.
Dynamics of user networks in on-line electronic auctions
Czech Academy of Sciences Publication Activity Database
Slanina, František
2014-01-01
Roč. 17, č. 1 (2014), "1450002-1"-"1450002-14" ISSN 0219-5259 R&D Projects: GA MŠk OC09078 Institutional support: RVO:68378271 Keywords : networks * random graphs * dynamics Subject RIV: BE - Theoretical Physics Impact factor: 0.968, year: 2014
The dynamics of electron and ion holes in a collisionless plasma
Directory of Open Access Journals (Sweden)
B. Eliasson
2005-01-01
Full Text Available We present a review of recent analytical and numerical studies of the dynamics of electron and ion holes in a collisionless plasma. The new results are based on the class of analytic solutions which were found by Schamel more than three decades ago, and which here work as initial conditions to numerical simulations of the dynamics of ion and electron holes and their interaction with radiation and the background plasma. Our analytic and numerical studies reveal that ion holes in an electron-ion plasma can trap Langmuir waves, due the local electron density depletion associated with the negative ion hole potential. Since the scale-length of the ion holes are on a relatively small Debye scale, the trapped Langmuir waves are Landau damped. We also find that colliding ion holes accelerate electron streams by the negative ion hole potentials, and that these streams of electrons excite Langmuir waves due to a streaming instability. In our Vlasov simulation of two colliding ion holes, the holes survive the collision and after the collision, the electron distribution becomes flat-topped between the two ion holes due to the ion hole potentials which work as potential barriers for low-energy electrons. Our study of the dynamics between electron holes and the ion background reveals that standing electron holes can be accelerated by the self-created ion cavity owing to the positive electron hole potential. Vlasov simulations show that electron holes are repelled by ion density minima and attracted by ion density maxima. We also present an extension of Schamel's theory to relativistically hot plasmas, where the relativistic mass increase of the accelerated electrons have a dramatic effect on the electron hole, with an increase in the electron hole potential and in the width of the electron hole. A study of the interaction between electromagnetic waves with relativistic electron holes shows that electromagnetic waves can be both linearly and nonlinearly
The nonlinear dynamics of the classical few body problem
International Nuclear Information System (INIS)
Tabor, M.
1981-01-01
The complicated behavior that small dynamical systems can display is reviewed and its relevance to such diverse fields as celestial mechanics, semi-classical mechanics and fluid dynamics is discussed. (orig.)
Time Resolved Broadband Terahertz Relaxation Dynamics of Electron in Water
DEFF Research Database (Denmark)
Wang, Tianwu; Iwaszczuk, Krzysztof; Cooke, David G.
We investigated the transient response of the solvated electron in water ejected by photodetachment from potassium ferrocyanide using time resolved terahertz spectroscopy (TSTS). Ultrabroadband THz transients are generated and detected by a two-color femtosecond-induced air plasma and air biased...
Study of warm dense plasma electronic dynamics by optical interferometry
International Nuclear Information System (INIS)
Deneuville, F.
2013-01-01
The Warm Dense Matter (WDM) regime is characterised by a density close to the solid density and an electron temperature close to the Fermi temperature. In this work, the nonequilibrium Warm Dense Matter is studied during the solid to liquid phase transition induced by an ultra short laser interacting with a solid. A 30 femtosecond time resolution pump-probe experiment (FDI) is set up, yielding to the measurement of the heated sample complex reflectivity for both S and P polarisation. We have determined a criterion based on the measured reflectivities, which permits to control the interface shape of the probed matter. For pump laser fluences around 1 J/cm 2 , the hydrodynamics of the heated matter is studied and experimental results are compared to the two-temperatures code ESTHER. Furthermore, the evolution of the dielectric function at 800 nm and 400 nm is inferred from our measurements on a sub-picosecond time-scale. Within the Drude-Lorentz model for the conduction electrons, the dielectric function yields information such as ionisation state, electronic temperature and electron collision frequency. (author) [fr
Orbital and spin dynamics of intraband electrons in quantum rings driven by twisted light.
Quinteiro, G F; Tamborenea, P I; Berakdar, J
2011-12-19
We theoretically investigate the effect that twisted light has on the orbital and spin dynamics of electrons in quantum rings possessing sizable Rashba spin-orbit interaction. The system Hamiltonian for such a strongly inhomogeneous light field exhibits terms which induce both spin-conserving and spin-flip processes. We analyze the dynamics in terms of the perturbation introduced by a weak light field on the Rasha electronic states, and describe the effects that the orbital angular momentum as well as the inhomogeneous character of the beam have on the orbital and the spin dynamics.
Monopole and topological electron dynamics in adiabatic spintronic and graphene systems
International Nuclear Information System (INIS)
Tan, S.G.; Jalil, M.B.A.; Fujita, T.
2010-01-01
A unified theoretical treatment is presented to describe the physics of electron dynamics in semiconductor and graphene systems. Electron spin's fast alignment with the Zeeman magnetic field (physical or effective) is treated as a form of adiabatic spin evolution which necessarily generates a monopole in magnetic space. One could transform this monopole into the physical and intuitive topological magnetic fields in the useful momentum (K) or real spaces (R). The physics of electron dynamics related to spin Hall, torque, oscillations and other technologically useful spinor effects can be inferred from the topological magnetic fields in spintronic, graphene and other SU(2) systems.
Attosecond dynamics of electrons in molecules and liquids
Woerner, Hans Jakob
2016-05-01
The ultrafast motion of electrons and holes following light-matter interaction is fundamental to a broad range of chemical and biophysical processes. In this lecture, I will discuss two recent experiments carried out in our group that measure the atomic-scale motion of charge with attosecond temporal resolution (1 as = 10-18 s). The first experiment is carried out on isolated, spatially oriented molecules in the gas phase. We advance high-harmonic spectroscopy to resolve spatially and temporally the migration of an electron hole immediately following ionization of iodoacetylene, while simultaneously demonstrating extensive control over the process. A multidimensional approach, based on the measurement of both even and odd harmonic orders, enables us to reconstruct both quantum amplitudes and phases of the electronic states with a resolution of ~ 100 as. We separately reconstruct quasi-field-free and laser-controlled charge migration as a function of the spatial orientation of the molecule and determine the shape of the hole created by ionization. The second experiment is carried out on a free-flowing microjet of liquid water. We use an attosecond pulse train synchronized with a near-infrared laser pulse to temporally resolve the process of photoemission from liquid water using the RABBIT technique. We measure a delay on the order of 50 as between electrons emitted from the HOMO of liquid water compared to that of gas-phase water and a substantially reduced modulation contrast of the corresponding sidebands. Since our measurements on solvated water molecules are referenced to isolated ones, the measured delays reflect (i) the photoionization delays caused by electron transport through the aqueous environment and (ii) the effect of solvation on the parent molecule. The relative modulation contrast, in turn, contains information on (iii) the modification of transition amplitudes and (iv) dephasing processes. These experiments make the liquid phase and its fascinating
Energy Technology Data Exchange (ETDEWEB)
Rouben, D C
1997-11-28
A semiclassical method for resonant tunneling in a quantum well in the presence of a magnetic field tilted with regard to an electric field is developed. In particular a semiclassical formula is derived for the total current of electrons after the second barrier of the quantum well. The contribution of the stable and unstable orbits is studied. It appears that the parameters which describe the classical chaos in the quantum well have an important effect on the tunneling current. A numerical experiment is led, the contributions to the current of some particular orbits are evaluated and the results are compared with those given by the quantum theory. (A.C.) 70 refs.
Wang, Fang; Zhang, Yonglai; Liu, Yang; Wang, Xuefeng; Shen, Mingrong; Lee, Shuit-Tong; Kang, Zhenhui
2013-03-07
Here we show a bias-mediated electron/energy transfer process at the CQDs-TiO(2) interface for the dynamic modulation of opto-electronic properties. Different energy and electron transfer states have been observed in the CQDs-TNTs system due to the up-conversion photoluminescence and the electron donation/acceptance properties of the CQDs decorated on TNTs.
Silvestrelli, P.-L.; Alavi, A.; Parrinello, M.; Frenkel, D.
1997-01-01
The method of ab initio molecular dynamics, based on finite-temperature density-functional theory, is used to simulate laser heating of crystalline silicon. We found that a high concentration of excited electrons dramatically weakens the covalent bonding. As a result the system undergoes a melting
Energy Technology Data Exchange (ETDEWEB)
Tashenov, Stanislav [Royal Institute of Technology, Stockholm (Sweden); Stockholm University (Sweden); Physikalisches Institut, Universitaet Heidelberg (Germany); Baeck, Torbjoern; Cederwall, Bo; Khaplanov, Anton; Schaessburger, Kai-Uwe [Royal Institute of Technology, Stockholm (Sweden); Barday, Roman; Enders, Joachim; Poltoratska, Yuliya [Institut fuer Kernphysik, Technische Universitaet, Darmstadt (Germany); Surzhykov, Andrey [Physikalisches Institut, Universitaet Heidelberg (Germany); GSI, Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany)
2011-07-01
Linear polarization of the photons emitted in the process of the atomic field electron bremsstrahlung has been studied at the newly developed 100 keV polarized electron source of TU Darmstadt. A correlation between the initial orientation of the electron spin and the degree and the angle of photon linear polarization has been measured for the first time. For this purpose a hard x-ray Compton polarimeter consisting of a segmented high purity germanium detector and an external passive photon scattering target have been applied. Linear polarization sensitive Compton and Rayleigh photon scattering distributions have been sampled by the segmented detector. The observed polarization correlation reveals a precession of the electron spin as it moves in the field of the nucleus. The full-relativistic calculations for the case of radiative recombination into a Rydberg series limit have been corroborated by the measurement. The results of this experiment suggest a new method for electron beam polarimetry.
Coherent state methods for semi-classical heavy-ion physics
International Nuclear Information System (INIS)
Remaud, B.; Sebille, F.; Raffray, Y.
1985-01-01
A semi-classical model of many fermion systems is developed in view of solving the Vlasov equation; it provides an unified description of both static and dynamic properties of the system. The phase space distribution functions are written as convolution products of generalized coherent state distributions with semi-probabilistic weight functions. The generalized coherent states are defined from the local constants of motion of the dynamical system; they may reduce to the usuel ones (eigen states of the annihilation operator) only at the harmonic limit. Solving the Vlasov equation consists in two steps: (i) search for weight functions which properly describe the initial density distributions (ii) calculation of the evolutions of the coherent state set which acts as a moving basis for the Vlasov equation solutions. Sample applications to statics are analyzed: fermions in a harmonic field, self-consistent nuclear slabs. Outlooks of dynamical applications are discussed with a special attention to the fast nucleon emission in heavy-ion reactions
Saha, Asit; Pal, Nikhil; Chatterjee, Prasanta
2014-10-01
The dynamic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas with superthermal electrons and positrons has been investigated in the framework of perturbed and non-perturbed Kadomtsev-Petviashili (KP) equations. Applying the reductive perturbation technique, we have derived the KP equation in electron-positron-ion magnetoplasma with kappa distributed electrons and positrons. Bifurcations of ion acoustic traveling waves of the KP equation are presented. Using the bifurcation theory of planar dynamical systems, the existence of the solitary wave solutions and the periodic traveling wave solutions has been established. Two exact solutions of these waves have been derived depending on the system parameters. Then, using the Hirota's direct method, we have obtained two-soliton and three-soliton solutions of the KP equation. The effect of the spectral index κ on propagations of the two-soliton and the three-soliton has been shown. Considering an external periodic perturbation, we have presented the quasi periodic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas.
Energy Technology Data Exchange (ETDEWEB)
Saha, Asit, E-mail: asit-saha123@rediffmail.com, E-mail: prasantachatterjee1@rediffmail.com [Department of Mathematics, Sikkim Manipal Institute of Technology, Majitar, Rangpo, East-Sikkim 737136 (India); Department of Mathematics, Siksha Bhavana, Visva Bharati University, Santiniketan-731235 (India); Pal, Nikhil; Chatterjee, Prasanta, E-mail: asit-saha123@rediffmail.com, E-mail: prasantachatterjee1@rediffmail.com [Department of Mathematics, Siksha Bhavana, Visva Bharati University, Santiniketan-731235 (India)
2014-10-15
The dynamic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas with superthermal electrons and positrons has been investigated in the framework of perturbed and non-perturbed Kadomtsev-Petviashili (KP) equations. Applying the reductive perturbation technique, we have derived the KP equation in electron-positron-ion magnetoplasma with kappa distributed electrons and positrons. Bifurcations of ion acoustic traveling waves of the KP equation are presented. Using the bifurcation theory of planar dynamical systems, the existence of the solitary wave solutions and the periodic traveling wave solutions has been established. Two exact solutions of these waves have been derived depending on the system parameters. Then, using the Hirota's direct method, we have obtained two-soliton and three-soliton solutions of the KP equation. The effect of the spectral index κ on propagations of the two-soliton and the three-soliton has been shown. Considering an external periodic perturbation, we have presented the quasi periodic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas.
Electron and proton kinetics and dynamics in flaring atmospheres
Zharkova, Valentina
2012-01-01
This timely book presents new research results on high-energy particle physics related to solar flares, covering the theory and applications of the reconnection process in a clear and comprehensible way. It investigates particle kinetics and dynamics in flaring atmospheres and their diagnostics from spectral observations, while providing an analysis of the observation data and techniques and comparing various models. Written by an internationally acclaimed expert, this is vital reading for all solar, astro-, and plasma physicists working in the field.
Electron Dynamics in a Subproton-Gyroscale Magnetic Hole
Gershman, Daniel J.; Dorelli, John C.; Vinas, Adolfo F.; Avanov, Levon A.; Gliese, Ulrik B.; Barrie, Alexander C.; Coffey, Victoria; Chandler, Michael; Dickson, Charles; MacDonald, Elizabeth A.;
2016-01-01
Magnetic holes are ubiquitous in space plasmas, occurring in the solar wind, downstream of planetary bow shocks, and inside the magnetosphere. Recently, kinetic-scale magnetic holes have been observed near Earth's central plasma sheet. The Fast Plasma Investigation on NASA's Magnetospheric Multiscale (MMS) mission enables measurement of both ions and electrons with 2 orders of magnitude increased temporal resolution over previous magnetospheric instruments. Here we present data from MMS taken in Earth's nightside plasma sheet and use high-resolution particle and magnetometer data to characterize the structure of a subproton-scale magnetic hole. Electrons with gyroradii above the thermal gyroradius but below the current layer thickness carry a current sufficient to account for a 10-20 depression in magnetic field magnitude. These observations suggest that the size and magnetic depth of kinetic-scale magnetic holes is strongly dependent on the background plasma conditions.
Electronic dynamics induced by laser in (D)KDP crystals
International Nuclear Information System (INIS)
Duchateau, G.; Geoffroy, G.; Dyan, A.; Piombini, H.; Geoffroy, G.; Guizard, S.
2011-01-01
DKDP (KD 2 PO 4 ) and KDP (KH 2 PO 4 ) crystals that are used in frequency conversion systems have a damage threshold that limits the development of power lasers. It is assumed that laser-induced damage (LID) stems for a precursor defect present in the crystal or quickly generated by the laser-radiation. The Socrate bench has been useful for studying the evolution of LID but the understanding of the very beginning of the LID requires a new method. We have performed femtosecond interferometric measures to study the behaviour of charge carriers. We show that the valence electrons are excited through multi-photon absorption and their relaxation time depends on the isotope (hydrogen or deuterium). The various electron populations are computed through an adequate simulation and the comparison with experimental data has allowed us to get values for multi-photon absorption cross-sections and relaxation times
Studies of collision dynamics in electron capture processes
International Nuclear Information System (INIS)
Hansen, J.P.
1990-12-01
This thesis presents some recent development in time-dependent coupled channel methods for one- and two-electron systems. The methods have been applied to detailed studies on several different aspects of charge transfer processes in ion-atom collisions at intermediate to low energies. Measurable quantities, such as partial and total cross sections, partial cross sections in projectile energy gain, orientation and alignment fractions, have been calculated. Confrontation with experiments has in general given good agreement. 29 refs
Studies of collision dynamics in electron capture processes
International Nuclear Information System (INIS)
Hansen, J.P.
1989-12-01
The thesis presents some recent development in time-dependent coupled channel methods for one- and two-electron systems. The methods have been applied to detailed studies on several different aspects of charge transfer processes in ion-atom collisions at intermediate to low energies. Measurable quantities, such as partial and total cross sections, partial cross sections in projectile energy gain, orientation and alignment fractions, have been calculated. Confrontation with experiments has in general given good agreement. 14 refs., 2 figs
Attosecond Electron Processes in Materials: Excitons, Plasmons, and Charge Dynamics
2015-05-19
focused using a f=1.5 m lens into a 250 micron hollow core fiber (HCF) filled with neon gas at atmospheric pressure to stretch the pulse spectrum from... insulator to metal transition. Introduction: The goal of this work was to understand the generation, transport, and manipulation of electronic charge...chemically sensitive probe pulse utilizing specific core level transitions in atoms that are part of a material under study. The measurements follow
Electron beam dynamics in the LIU-30/250 accelerator
International Nuclear Information System (INIS)
Vakhrushin, Yu.P.; Kuznetsov, V.S.; Tikhomirov, A.S.
1989-01-01
Results of numerical simulation of coherent oscillations of electron beam in the LIU-30/250 accelerating system are presented. Transport systems both with continuous field and the discrete ones are considered. The following conclusions are made: amplitude of coherent oscillations inevitably grows in the real transport channel; the presence of correctors can lead to sufficient losses of beam pulse duration; discrete system is the optimal system for beam transport without sufficient losses. 7 refs.; 3 figs
Thermoelectric properties of fully hydrogenated graphene: Semi-classical Boltzmann theory
International Nuclear Information System (INIS)
Reshak, A. H.
2015-01-01
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 19 (Ωms) −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 thermal 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)
Quantum-Dynamical Theory of Electron Exchange Correlation
Directory of Open Access Journals (Sweden)
Burke Ritchie
2013-01-01
aggregate, is elucidated. The relationship depends on the use of spin-dependent quantum trajectories (SDQT to evaluate Coulomb’s law between any two electrons as an instantaneous interaction in space and time rather than as a quantum-mean interaction in the form of screening and exchange potentials. Hence FDS depends in an ab initio sense on the inference of SDQT from Dirac’s equation, which provides for relativistic Lorentz invariance and a permanent magnetic moment (or spin in the electron’s equation of motion. Schroedinger’s time-dependent equation can be used to evaluate the SDQT in the nonrelativistic regime of electron velocity. Remarkably FDS is a relativistic property of an ensemble of electron, even though it is of order c0 in the nonrelativistic limit, in agreement with experimental observation. Finally it is shown that covalent versus separated-atoms limits can be characterized by the SDQT. As an example of the use of SDQT in a canonical structure problem, the energies of the 1Σg and 3Σu states of H2 are calculated and compared with the accurate variational energies of Kolos and Wolniewitz.
Dynamics in ion-molecule collisions at high velocities: One- and two-electron processes
International Nuclear Information System (INIS)
Wang, Yudong.
1992-01-01
This dissertation addresses the dynamic interactions in ion-molecule collisions. Theoretical methods are developed for single and multiple electron transitions in fast collisions with diatomic molecules by heavy-ion projectiles. Various theories and models are developed to treat the three basic inelastic processes (excitation, ionization and charge transfer) involving one and more electrons. The development, incorporating the understanding of ion-atom collision theories with some unique characteristics for molecular targets, provides new insights into phenomena that are absent from collisions with atomic targets. The influence from the multiple scattering centers on collision dynamics is assessed. For diatomic molecules, effects due to a fixed molecular orientation or alignment are calculated and compared with available experimental observations. Compared with excitation and ionization, electron capture, which probes deeper into the target, presents significant two-center interference and strong orientation dependence. Attention has been given in this dissertation to exploring mechanisms for two-and multiple electron transitions. Application of independent electron approximation to transfer excitation from molecular hydrogen is studied. Electron-electron interaction originated from projectile and target nuclear centers is studied in conjunction with the molecular nature of target. Limitations of the present theories and models as well as possible new areas for future theoretical and experimental applications are also discussed. This is the first attempt to describe multi-electron processes in molecular dynamics involving fast highly charged ions
Full quantum treatment of charge dynamics in amorphous molecular semiconductors
de Vries, Xander; Friederich, Pascal; Wenzel, Wolfgang; Coehoorn, Reinder; Bobbert, Peter A.
2018-02-01
We present a treatment of charge dynamics in amorphous molecular semiconductors that accounts for the coupling of charges to all intramolecular phonon modes in a fully quantum mechanical way. Based on ab initio calculations, we derive charge transfer rates that improve on the widely used semiclassical Marcus rate and obtain benchmark results for the mobility and energetic relaxation of electrons and holes in three semiconductors commonly applied in organic light-emitting diodes. Surprisingly, we find very similar results when using the simple Miller-Abrahams rate. We conclude that extracting the disorder strength from temperature-dependent charge transport studies is very possible but extracting the reorganization energy is not.
Dynamic Pricing in Electronic Commerce Using Neural Network
Ghose, Tapu Kumar; Tran, Thomas T.
In this paper, we propose an approach where feed-forward neural network is used for dynamically calculating a competitive price of a product in order to maximize sellers’ revenue. In the approach we considered that along with product price other attributes such as product quality, delivery time, after sales service and seller’s reputation contribute in consumers purchase decision. We showed that once the sellers, by using their limited prior knowledge, set an initial price of a product our model adjusts the price automatically with the help of neural network so that sellers’ revenue is maximized.
Dynamic, electronically switchable surfaces for membrane protein microarrays.
Tang, C S; Dusseiller, M; Makohliso, S; Heuschkel, M; Sharma, S; Keller, B; Vörös, J
2006-02-01
Microarray technology is a powerful tool that provides a high throughput of bioanalytical information within a single experiment. These miniaturized and parallelized binding assays are highly sensitive and have found widespread popularity especially during the genomic era. However, as drug diagnostics studies are often targeted at membrane proteins, the current arraying technologies are ill-equipped to handle the fragile nature of the protein molecules. In addition, to understand the complex structure and functions of proteins, different strategies to immobilize the probe molecules selectively onto a platform for protein microarray are required. We propose a novel approach to create a (membrane) protein microarray by using an indium tin oxide (ITO) microelectrode array with an electronic multiplexing capability. A polycationic, protein- and vesicle-resistant copolymer, poly(l-lysine)-grafted-poly(ethylene glycol) (PLL-g-PEG), is exposed to and adsorbed uniformly onto the microelectrode array, as a passivating adlayer. An electronic stimulation is then applied onto the individual ITO microelectrodes resulting in the localized release of the polymer thus revealing a bare ITO surface. Different polymer and biological moieties are specifically immobilized onto the activated ITO microelectrodes while the other regions remain protein-resistant as they are unaffected by the induced electrical potential. The desorption process of the PLL-g-PEG is observed to be highly selective, rapid, and reversible without compromising on the integrity and performance of the conductive ITO microelectrodes. As such, we have successfully created a stable and heterogeneous microarray of biomolecules by using selective electronic addressing on ITO microelectrodes. Both pharmaceutical diagnostics and biomedical technology are expected to benefit directly from this unique method.
Studies of dynamics of electron clouds in STAR silicon drift detectors
Bellwied, R; Brandon, N; Caines, H; Chen, W; Dimassimo, D; Dyke, H; Hall, J R; Hardtke, D; Hoffmann, G W; Humanic, T J; Kotova, A I; Kotov, I V; Kraner, H W; Li, Z; Lynn, D; Middelkamp, P; Ott, G; Pandey, S U; Pruneau, C A; Rykov, V L; Schambach, J; Sedlmeir, J; Sugarbaker, E R; Takahashi, J; Wilson, W K
2000-01-01
The dynamics of electrons generated in silicon drift detectors was studied using an IR LED. Electrons were generated at different drift distances. In this way, the evolution of the cloud as a function of drift time was measured. Two methods were used to measure the cloud size. The method of cumulative functions was used to extract the electron cloud profiles. Another method obtains the cloud width from measurements of the charge collected on a single anode as a function of coordinate of the light spot. The evolution of the electron cloud width with drift time is compared with theoretical calculations. Experimental results agreed with theoretical expectations.
International Nuclear Information System (INIS)
Lutgen, S.; Kaindl, R.A.; Woerner, M.; Elsaesser, T.; Hase, A.; Kuenzel, H.; Gulia, M.; Meglio, D.; Lugli, P.
1996-01-01
The dynamics of electrons in GaInAs/AlInAs quantum wells is studied after excitation from the n=1 to the n=2 conduction subband. Femtosecond pump-probe experiments demonstrate for the first time athermal distributions of n=1 electrons on a surprisingly long time scale of 2ps. Thermalization involves intersubband scattering of excited electrons via optical phonon emission with a time constant of 1ps and intrasubband Coulomb and phonon scattering. Ensemble Monte Carlo simulations show that the slow electron equilibration results from Pauli blocking and screening of carrier-carrier scattering. copyright 1996 The American Physical Society
Charge dynamics in aluminum oxide thin film studied by ultrafast scanning electron microscopy.
Zani, Maurizio; Sala, Vittorio; Irde, Gabriele; Pietralunga, Silvia Maria; Manzoni, Cristian; Cerullo, Giulio; Lanzani, Guglielmo; Tagliaferri, Alberto
2018-04-01
The excitation dynamics of defects in insulators plays a central role in a variety of fields from Electronics and Photonics to Quantum computing. We report here a time-resolved measurement of electron dynamics in 100 nm film of aluminum oxide on silicon by Ultrafast Scanning Electron Microscopy (USEM). In our pump-probe setup, an UV femtosecond laser excitation pulse and a delayed picosecond electron probe pulse are spatially overlapped on the sample, triggering Secondary Electrons (SE) emission to the detector. The zero of the pump-probe delay and the time resolution were determined by measuring the dynamics of laser-induced SE contrast on silicon. We observed fast dynamics with components ranging from tens of picoseconds to few nanoseconds, that fits within the timescales typical of the UV color center evolution. The surface sensitivity of SE detection gives to the USEM the potential of applying pump-probe investigations to charge dynamics at surfaces and interfaces of current nano-devices. The present work demonstrates this approach on large gap insulator surfaces. Copyright © 2018 Elsevier B.V. All rights reserved.
Pure state condition for the semi-classical Wigner function
International Nuclear Information System (INIS)
Ozorio de Almeida, A.M.
1982-01-01
The Wigner function W(p,q) is a symmetrized Fourier transform of the density matrix e(q 1 ,q 2 ), representing quantum-mechanical states or their statistical mixture in phase space. Identification of these two alternatives in the case of density matrices depends on the projection identity e 2 = e; its Wigner correspondence is the pure state condition. This criterion is applied to the Wigner functions botained from standard semiclassical wave functions, determining as pure states those whose classical invariant tori satisfy the generalized Bohr-Sommerfeld conditions. Superpositions of eigenstates are then examined and it is found that the Wigner function corresponding to Gaussian random wave functions are smoothed out in the manner of mixedstate Wigner functions. Attention is also given to the pure-state condition in the case where an angular coordinate is used. (orig.)
On semi-classical questions related to signal analysis
Helffer, Bernard
2011-12-01
This study explores the reconstruction of a signal using spectral quantities associated with some self-adjoint realization of an h-dependent Schrödinger operator -h2(d2/dx2)-y(x), h>0, when the parameter h tends to 0. Theoretical results in semi-classical analysis are proved. Some numerical results are also presented. We first consider as a toy model the sech2 function. Then we study a real signal given by arterial blood pressure measurements. This approach seems to be very promising in signal analysis. Indeed it provides new spectral quantities that can give relevant information on some signals as it is the case for arterial blood pressure signal. © 2011 - IOS Press and the authors. All rights reserved.
Semi-classical approximation to path integrals - phases and catastrophes
International Nuclear Information System (INIS)
Levit, S.
1977-01-01
Problems of phases and catastrophes were encountered when trying to apply the classical S-matrix theory to the scattering phenomena in nuclear physics. The path integral formulation provided a suitable basis for the treatment of these and related problems. Within conventional mathematical language it was possible to give practical prescriptions and discuss their limitations. Since the semi-classical (stationary phase) approximation is commonly used in any application of the path integral method, the results are not restricted to the scattering problems and may be of general interest. The derivation of the uniform approximations in the energy representation should use the exact path integral expression as the starting point, rather than performing Fourier transforms on the expressions derived in the present lecture. (B.G.)
The semiclassical density of states for the quantum asymmetric top
International Nuclear Information System (INIS)
Agnew, Alfonso; Bourget, Alain
2008-01-01
In the quantization of a rotating rigid body, a top, one is concerned with the Hamiltonian operator L α = α 2 0 L 2 x + α 2 1 L 2 y + α 2 2 L 2 z , where α 0 ≤ α 1 ≤ α 2 . An explicit formula is known for the eigenvalues of L α in the case of the spherical top (α 1 = α 2 = α 3 ) and symmetrical top (α 1 = α 2 ≠ α 3 ) (Landau and Lifshitz 1981 Quantum Mechanics: Non-Relativistic Theory 3rd edn (Portsmouth, NH: Butterworth-Heinemann)). However, for the asymmetrical top, no such explicit expression exists, and the study of the spectrum is much more complex. In this paper, we compute the semiclassical density of states for the eigenvalues of the family of operators L α = α 2 0 L 2 x + α 2 1 L 2 y + α 2 2 L 2 z for any α 0 1 2
Semiclassical approximations for a momentum dependent one-body potential
International Nuclear Information System (INIS)
Dworzecka, M.; Moszkowski, S.A.
1976-08-01
Recently a semiclassical approximation was applied by Jennings, et al., for a system of noninteracting fermions in a local one-body potential. This is a way to calculate shell corrections alternative to Strutinsky's method. This method was generalized to a spherical but a momentum dependent potential of the form, V(r) + 1 / 2 (p 2 W(r) + W(r)p 2 ). Explicit expressions are developed for the number of particles and the smooth sum of single particle energies in terms of the Fermi energy and the one-body potential and its first two derivatives. They are calculated for selected values of the parameters and compared with the sum of single particle energies obtained by numerical solution of the Schroedinger equation. The difference between the two is evidently the shell correction
Semiclassical solution to the BFKL equation with massive gluons
International Nuclear Information System (INIS)
Levin, Eugene; Lipatov, Lev; Siddikov, Marat
2015-01-01
In this paper we proceed to study the high energy behavior of scattering amplitudes in a simple field model, with the Higgs mechanism for the gauge boson mass. The spectrum of the j-plane singularities of the t-channel partial waves and the corresponding eigenfunctions of the BFKL equation in leading log(1/x) approximation were previously calculated numerically. Here we develop a semiclassical approach to investigate the influence of the exponential decrease of the impact parameter dependence existing in this model, on the high energy asymptotic behavior of the scattering amplitude. This approach is much simpler than our earlier numerical calculations, and it reproduces those results. The analytical (semi-analytical) solutions which have been found in the approximation can be used to incorporate correctly the large impact parameter behavior in the framework of CGC/saturation approach. This behavior is interesting as it provides the high energy amplitude for the electroweak theory, which can be measured experimentally. (orig.)
Semiclassical asymptotic behavior and the rearrangement mechanisms for Coulomb particles
International Nuclear Information System (INIS)
Bogdanov, A.V.; Gevorkyan, A.S.; Dubrovskii, G.V.
1986-01-01
The semiclassical asymptotic behavior of the eikonal amplitude of the resonance rearrangement in a system of three Coulomb particles is studied. It is shown that the general formula for the amplitude correctly describes two classical mechanisms (pickup and knockout) and one nonclassical mechanism (stripping). The classical mechanisms predominate at high energies, while the stripping mechanism predominates at lower energies. In the region of medium energies the dominant mechanism is the pickup (or Thomas) mechanism, which is realized by nonclassical means. For such transitions the classical cross section diverges, and the amplitude must be computed on a complex trajectory. The physical reasons for introducing the approximate complex trajectories are discussed. The contributions of all the mechanisms to the rearrangement cross section are found in their analytic forms
The semiclassical coherent state propagator in the Weyl representation
International Nuclear Information System (INIS)
Braun, Carol; Li, Feifei; Garg, Anupam; Stone, Michael
2015-01-01
It is shown that the semiclassical coherent state propagator takes its simplest form when the quantum mechanical Hamiltonian is replaced by its Weyl symbol in defining the classical action, in that there is then no need for a Solari-Kochetov correction. It is also shown that such a correction exists if a symbol other than the Weyl symbol is chosen and that its form is different depending on the symbol chosen. The various forms of the propagator based on different symbols are shown to be equivalent provided the correspondingly correct Solari-Kochetov correction is included. All these results are shown for both particle and spin coherent state propagators. The global anomaly in the fluctuation determinant is further elucidated by a study of the connection between the discrete fluctuation determinant and the discrete Jacobi equation
From quantum to semiclassical kinetic equations: Nuclear matter estimates
International Nuclear Information System (INIS)
Galetti, D.; Mizrahi, S.S.; Nemes, M.C.; Toledo Piza, A.F.R. de
1985-01-01
Starting from the exact microscopic time evolution of the quantum one body density associated with a many fermion system semiclassical approximations are derived to it. In the limit where small momentum transfer two body collisions are dominant we get a Fokker-Planck equation and work out friction and diffusion tensors explicitly for nuclear matter. If arbitrary momentum transfers are considered a Boltzmann equation is derived and used to calculate the viscosity coefficient of nuclear matter. A derivation is given of the collision term used by Landau to describe the damping of zero sound waves at low temperature in Plasmas. Memory effects are essential for this. The damping of zero sound waves in nuclear matter is also calculated and the value so obtained associated with the bulk value of the damping of giant resonances in finite nuclei. The bulk value is estimated to be quite small indicating the importance of the nuclear surface for the damping. (Author) [pt
Improvements on Semi-Classical Distorted-Wave model
Energy Technology Data Exchange (ETDEWEB)
Sun Weili; Watanabe, Y.; Kuwata, R. [Kyushu Univ., Fukuoka (Japan); Kohno, M.; Ogata, K.; Kawai, M.
1998-03-01
A method of improving the Semi-Classical Distorted Wave (SCDW) model in terms of the Wigner transform of the one-body density matrix is presented. Finite size effect of atomic nuclei can be taken into account by using the single particle wave functions for harmonic oscillator or Wood-Saxon potential, instead of those based on the local Fermi-gas model which were incorporated into previous SCDW model. We carried out a preliminary SCDW calculation of 160 MeV (p,p`x) reaction on {sup 90}Zr with the Wigner transform of harmonic oscillator wave functions. It is shown that the present calculation of angular distributions increase remarkably at backward angles than the previous ones and the agreement with the experimental data is improved. (author)
Size dependence investigations of hot electron cooling dynamics in metal/adsorbates nanoparticles
International Nuclear Information System (INIS)
Bauer, Christophe; Abid, Jean-Pierre; Girault, Hubert H.
2005-01-01
The size dependence of electron-phonon coupling rate has been investigated by femtosecond transient absorption spectroscopy for gold nanoparticles (NPs) wrapped in a shell of sulfate with diameter varying from 1.7 to 9.2 nm. Broad-band spectroscopy gives an overview of the complex dynamics of nonequilibrium electrons and permits the choice of an appropriate probe wavelength for studying the electron-phonon coupling dynamics. Ultrafast experiments were performed in the weak perturbation regime (less than one photon in average per nanoparticle), which allows the direct extraction of the hot electron cooling rates in order to compare different NPs sizes under the same conditions. Spectroscopic data reveals a decrease of hot electron energy loss rates with metal/adsorbates nanosystem sizes. Electron-phonon coupling time constants obtained for 9.2 nm NPs are similar to gold bulk materials (∼1 ps) whereas an increase of hot electron cooling time up to 1.9 ps is observed for sizes of 1.7 nm. This is rationalized by the domination of surface effects over size (bulk) effects. The slow hot electron cooling is attributed to the adsorbates-induced long-lived nonthermal regime, which significantly reduces the electron-phonon coupling strength (average rate of phonon emission)
International Nuclear Information System (INIS)
Zunger, A.
1975-07-01
Semiempirical all-valence-electron LCAO methods, that were previously used to study the electronic structure of molecules are applied to three problems in solid state physics: the electronic band structure of covalent crystals, point defect problems in solids and lattice dynamical study of molecular crystals. Calculation methods for the electronic band structure of regular solids are introduced and problems regarding the computation of the density matrix in solids are discussed. Three models for treating the electronic eigenvalue problem in the solid, within the proposed calculation schemes, are discussed and the proposed models and calculation schemes are applied to the calculation of the electronic structure of several solids belonging to different crystal types. The calculation models also describe electronic properties of deep defects in covalent insulating crystals. The possible usefulness of the semieipirical LCAO methods in determining the first order intermolecular interaction potential in solids and an improved model for treating the lattice dynamics and related thermodynamical properties of molecular solids are presented. The improved lattice dynamical is used to compute phonon dispersion curves, phonon density of states, stable unit cell structure, lattice heat capacity and thermal crystal parameters, in α and γ-N 2 crystals, using the N 2 -N 2 intermolecular interaction potential that has been computed from the semiempirical LCAO methods. (B.G.)
Semiclassical model for single-particle transitions in nucleus-nucleus interactions
International Nuclear Information System (INIS)
Milek, B.; Joint Inst. for Nuclear Research, Dubna; Technische Univ., Dresden; Reif, R.; Pham Khan Van; Revai, J.
1990-04-01
A previously elaborated semiclassical one-body model for the dynamics of a single particle, moving in two potentials, in heavy-ion reactions or in fissioning systems has been extended with respect to the inclusion of angular momenta and more realistic separable potentials. The collective relative motion is assumed to proceed along a trajectory which is calculated from classical equations of motion including conservative and phenomenological friction forces. The formalism has been derived involving three-dimensional trajectories for symmetric as well as for asymmetric nucleus-nucleus systems. The model allows for the calculation of correct quantum mechanical transition amplitudes to final bound and continuum states. It has been applied for the investigation of the excitation of a neutron during a fission process, covering also non-statistical differential emission probabilities. From the numerical calculations, using parameters adapted to 252 Cf(sf), one can conclude that in the underlying model without 'sudden' processes the energy spectrum consists of two parts. The low lying component is created in the neck region while a high lying part seems to be governed mainly by the dynamics of the underlying collective motion rather than by the specific initial conditions. (orig.)
Semiclassical theory for liquidlike behavior of the frustrated magnet Ca10Cr7O28
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.
Comparative role of potential structure in classical, semiclassical, and quantum mechanics
International Nuclear Information System (INIS)
Judson, R.S.; Shi, S.; Rabitz, H.
1989-01-01
The corresponding effects of features in the potential on classical, semiclassical, and quantum mechanics are probed using the technique of functional sensitivity analysis. It is shown that the classical and quantum functional sensitivities are equivalent in the classical (small (h/2π)) and harmonic limits. Classical and quantum mechanics are known to react in qualitatively similar ways provided that features on the potential are smooth on the length scale of oscillations in the quantum wave function. By using functional sensitivity analysis, we are able to show in detail how the classical and quantum dynamics differ in the way that they sense the potential. Two examples are given, the first of which is the harmonic oscillator. This problem is well understood by other means but is useful to examine because it illustrates the detailed information about the interaction of the potential and the dynamics which can be provided by functional sensitivity analysis, simplifying the analysis of more complex systems. The second example is the collinear H+H 2 reaction. In that case there are a number of detailed and striking differences between the ways that classical and quantum mechanics react to features on the potential. For features which are broad compared to oscillations in the wave function, the two react in qualitatively the same way. The sensitivities are oscillatory, however, and there are phasing differences between the classical and quantum sensitivity functions. This means that using classical mechanics plus experimental data in an inversion scheme intended to find the ''true'' potential will necessarily introduce sizeable errors
Semi-classical approach of heavy ion physics at intermediate energies
International Nuclear Information System (INIS)
Vinet, L.
1986-01-01
The study of heavy ion collisions at intermediate energies (10 to 100 MeV/A), can be undertaken by a semi-classical approach: the nuclear Vlasov equation. It is possible to decompose the one body distribution function over a suitable coherent state basis for dynamical studies. This method is applied for colliding slabs, and the results are compared with those of TDHF. With imposed spherical symmetry, the isoscalar monopole resonance, evaporation, formation of bubble nuclei and total evaporation, are obtained. The extension to three dimensions and to the Landau-Vlasov equation through the residual interaction included in the Uehling-Uhlenbeck collision term, permits a general study of the dynamical instability of highly excited nuclei. The application to heavy ion collisions gives a description of both the main mechanisms of reaction, and the ineffective fusion for the system 40 Ar (35 MeV/A) + 27 Al. Alpha particle multiplicities in correlation with evaporated residues in the experience 40 Ar (27 MeV/A) + 27 Al, have been extracted. From theoretical results, different scenari are proposed (entrance channel limitation and exit channel disintegration), in order to explain the disappearance of the fusion component observed for this system at energies above 32 MeV/A [fr
Wigner measure and semiclassical limits of nonlinear Schrödinger equations
Zhang, Ping
2008-01-01
This book is based on a course entitled "Wigner measures and semiclassical limits of nonlinear Schrödinger equations," which the author taught at the Courant Institute of Mathematical Sciences at New York University in the spring of 2007. The author's main purpose is to apply the theory of semiclassical pseudodifferential operators to the study of various high-frequency limits of equations from quantum mechanics. In particular, the focus of attention is on Wigner measure and recent progress on how to use it as a tool to study various problems arising from semiclassical limits of Schrödinger-ty
Dynamics of solid inner-shell electrons in collisions with bare and dressed swift ions
International Nuclear Information System (INIS)
Montanari, C.C.; Miraglia, J. E.; Arista, N.R.
2002-01-01
We analyze the dynamical interactions of swift heavy projectiles and solid inner-shell electrons. The dielectric formalism employed to deal with the free-electron gas is extended to account for the core electrons, by using the local plasma approximation. Results for stopping power, energy straggling, and inner-shell ionization in collisions of bare ions with metals are displayed, showing very good accord with the experimental data. Simultaneous excitations of projectile and target electrons are also analyzed. In the high-energy range we find a similar contribution of target core and valence electrons to the probability of projectile-electron loss. The problem of no excitation threshold within the local plasma approximation and the possibility of collective excitations of the shells are discussed
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.
Dynamics of electron wave packet in a disordered chain with delayed nonlinear response
International Nuclear Information System (INIS)
Zhu Hongjun; Xiong Shijie
2010-01-01
We investigate the dynamics of one electron wave packet in a linear chain with random on-site energies and a nonadiabatic electron-phonon interaction which is described by a delayed cubic nonlinear term in the time-dependent Schroedinger equation. We show that in the regime where the wave packet is delocalized in the case with only the delayed nonlinearity, the wave packet becomes localized when the disorder is added and the localization is enhanced by increasing the disorder. In the regime where the self-trapping phenomenon occurs in the case with only the delayed nonlinearity, by adding the disorder the general dynamical features of the wave packet do not change if the nonlinearity parameter is small, but the dynamics shows the subdiffusive behavior if the nonlinearity parameter is large. The numerical results demonstrate complicated wave packet dynamics of systems with both the disorder and nonlinearity.
Kundu, Mainak; He, Ting-Fang; Lu, Yangyi; Wang, Lijuan; Zhong, Dongping
2018-05-03
Short-range electron transfer (ET) in proteins is an ultrafast process on the similar timescales as local protein-solvent fluctuations thus the two dynamics are coupled. Here, we use semiquinone flavodoxin and systematically characterized the photoinduced redox cycle with eleven mutations of different aromatic electron donors (tryptophan and tyrosine) and local residues to change redox properties. We observed the forward and backward ET dynamics in a few picoseconds, strongly following a stretched behavior resulting from a coupling between local environment relaxations and these ET processes. We further observed the hot vibrational-state formation through charge recombination and the subsequent cooling dynamics also in a few picoseconds. Combined with the ET studies in oxidized flavodoxin, these results coherently reveal the evolution of the ET dynamics from single to stretched exponential behaviors and thus elucidate critical timescales for the coupling. The observed hot vibration-state formation is robust and should be considered in all photoinduced back ET processes in flavoproteins.
International Nuclear Information System (INIS)
Carpene, E; Mancini, E; Dallera, C; Schwen, D; Ronning, C; Silvestri, S De
2007-01-01
We report the investigation of the ultrafast carrier dynamics in thin tetrahedral amorphous carbon films by means of femtosecond time-resolved reflectivity. We estimated the electron-phonon relaxation time of a few hundred femtoseconds and we observed that under low optical excitation photo-generated carriers decay according to two distinct mechanisms attributed to trapping by defect states and direct electron-hole recombination. With high excitation, when photo-carrier and trap densities are comparable, a unique temporal evolution develops, as the time dependence of the trapping process becomes degenerate with the electron-hole recombination. This experimental evidence highlights the role of defects in the ultrafast electronic dynamics and is not specific to this particular form of carbon, but has general validity for amorphous and disordered semiconductors
Runaway electrons dynamics and confinement in TORE-SUPRA
International Nuclear Information System (INIS)
Chatelier, M.; Geraud, A.; Joyer, P.; Martin, G.; Rax, J.M.
1989-01-01
Ohmic discharges in TORE-SUPRA are sufficiently long (∼ 6 s) for runaway electrons (R.E.) to reach a steady energy state: their energy limit is determined by the balance between parallel electric field acceleration (20 MeV/V.s in TORE-SUPRA) and radiation losses due to the curvature of the trajectories. When R.E. energy is supposed to be only parallel, this provides estimate of order of 70 MeV (value usually called 'synchrotron limit') reached in less than 2 seconds. Experimental observations on TORE-SUPRA of photoneutron emission together with residual induced radioactivity in the first wall components tend to prove that the actual value is much lower than 70 MeV (i.e. 15-35 MeV). Earlier observations in ORMAK, PLT and TFR already showed R.E. energy a slightly less than expected from standard loop voltage acceleration calculations. Explanations given for this lack of energy (as skin-effect lowering the electric field during the ramp-up phase or balance between continuous creation and losses) seems not to hold on TORE-SUPRA and therefore another mechanism must be considered to explain the R.E. energy limitation. 4 refs., 2 figs
Transformation dynamics of Ni clusters into NiO rings under electron beam irradiation
Energy Technology Data Exchange (ETDEWEB)
Knez, Daniel, E-mail: daniel.knez@felmi-zfe.at [Institute of Electron Microscopy and Nanoanalysis, Graz University of Technology, Steyrergasse 17, 8010 Graz (Austria); Graz Centre for Electron Microscopy, Steyrergasse 17, 8010 Graz (Austria); Thaler, Philipp; Volk, Alexander [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria); Kothleitner, Gerald [Institute of Electron Microscopy and Nanoanalysis, Graz University of Technology, Steyrergasse 17, 8010 Graz (Austria); Graz Centre for Electron Microscopy, Steyrergasse 17, 8010 Graz (Austria); Ernst, Wolfgang E. [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria); Hofer, Ferdinand [Institute of Electron Microscopy and Nanoanalysis, Graz University of Technology, Steyrergasse 17, 8010 Graz (Austria); Graz Centre for Electron Microscopy, Steyrergasse 17, 8010 Graz (Austria)
2017-05-15
We report the transformation of nickel clusters into NiO rings by an electron beam induced nanoscale Kirkendall effect. High-purity nickel clusters consisting of a few thousand atoms have been used as precursors and were synthesized with the superfluid helium droplet technique. Aberration-corrected, analytical scanning transmission electron microscopy was applied to oxidise and simultaneously analyse the nanostructures. The transient dynamics of the oxidation could be documented by time lapse series using high-angle annular dark-field imaging and electron energy-loss spectroscopy. A two-step Cabrera-Mott oxidation mechanism was identified. It was found that water adsorbed adjacent to the clusters acts as oxygen source for the electron beam induced oxidation. The size-dependent oxidation rate was estimated by quantitative EELS measurements combined with molecular dynamics simulations. Our findings could serve to better control sample changes during examination in an electron microscope, and might provide a methodology to generate other metal oxide nanostructures. - Highlights: • Beam induced conversion of Ni clusters into crystalline NiO rings has been observed. • Ni clusters were grown with the superfluid He-droplet technique. • oxidizeSTEM was utilized to investigate and simultaneously oxidize these clusters. • Oxidation dynamics was captured in real-time. • Cluster sizes and the oxidation rate were estimated via EELS and molecular dynamics.
International Nuclear Information System (INIS)
Seal, Prasenjit; Chakrabarti, Swapan
2007-01-01
Density functional theoretical studies have been performed on carbene systems to determine the singlet-triplet splitting and also to explore the role of electron correlation. Using an approximate method of separation of dynamical and nondynamical correlation, it is found that dynamical and nondynamical electron correlation stabilizes the singlet state relative to the triplet for halo carbenes in both BLYP and B3LYP methods. Calculations performed on higher homologues of methylene suggest that beyond CH(CH 3 ), both the electron correlations have leveling effect in stabilizing the singlet state relative to the triplet. It has also been observed while dynamical electron correlation fails to provide any substantial degree of stabilization to the singlet states of higher homologues of methylene in B3LYP method, an opposite trend is observed for nondynamical counterpart. Among the larger systems studied (9-triptycyl)(α-naphthyl)-carbene has the highest stability of the triplet state whereas bis-imidazol-2-ylidenes has the most stable singlet state. Interestingly, the values of the dynamical electron correlation for each state of each system studied are different for the two methods used. The reason behind this apparent discrepancy lies in the fact that the coefficients of the LYP part in B3LYP and BLYP functionals are different
Liquidity dynamics in an electronic open limit order book: An event study approach
Gomber, Peter; Schweickert, Uwe; Theissen, Erik
2011-01-01
We analyze the dynamics of liquidity in Xetra, an electronic open limit order book. We use the Exchange Liquidity Measure (XLM), a measure of the cost of a roundtrip trade of given size V. This measure captures the price and the quantity dimension of liquidity. We present descriptive statistics, analyze the cross-sectional determinants of the XLM measure and document its intraday pattern. Our main contribution is an analysis of the dynamics of the XLM measure around liquidity shocks. We use i...
Target Surface Area Effects on Hot Electron Dynamics from High Intensity Laser-Plasma Interactions
2016-08-19
Science, University ofMichigan, AnnArbor,MI 48109-2099, USA E-mail: czulick@umich.edu Keywords: laser- plasma ,mass-limited, fast electrons , sheath...New J. Phys. 18 (2016) 063020 doi:10.1088/1367-2630/18/6/063020 PAPER Target surface area effects on hot electron dynamics from high intensity laser... plasma interactions CZulick, ARaymond,AMcKelvey, VChvykov, AMaksimchuk, AGRThomas, LWillingale, VYanovsky andKKrushelnick Center forUltrafast Optical
2012 ELECTRONIC SPECTROSCOPY & DYNAMICS GORDON RESEARCH CONFERENCE, JULY 22-27, 2012
Energy Technology Data Exchange (ETDEWEB)
Kohler, Bern
2012-07-27
Topics covered in this GRC include high-resolution spectroscopy, coherent electronic energy transport in biology, excited state theory and dynamics, excitonics, electronic spectroscopy of cold and ultracold molecules, and the spectroscopy of nanostructures. Several sessions will highlight innovative techniques such as time-resolved x-ray spectroscopy, frequency combs, and liquid microjet photoelectron spectroscopy that have forged stimulating new connections between gas-phase and condensed-phase work.
Web-EEDF: open source software for modeling the electron dynamics
International Nuclear Information System (INIS)
Janda, M.; Machala, Z.; Morvova, M.; Francek, V.; Lukac, P.
2005-01-01
We present a free software for modeling the electron dynamics in the uniform electric field named Web-EEDF. It uses a Monte Carlo algorithm to calculate electron energy distribution functions (EEDFs) and other plasma parameters in various mixtures. Obtained results are in good agreement with literature. This software represents the first stage in a more complex modeling of plasma chemical processes leading to the decomposition of various air pollutants in electrical discharges at atmospheric pressure (Authors)
Lattice dynamics and electronic properties of superconducting Nbsub(x)Vsub(1-x)N compounds
International Nuclear Information System (INIS)
Geibel, C.; Rietschel, H.; Pelizzone, M.; Junod, A.; Muller, J.
1982-01-01
The Nbsub(x)Vsub(1-x)N-system presents a pronounced minimum in Tsub(c) at the composition Nbsub(0.5)Vsub(0.5)N. We investigated the structural, the electronic properties and the lattice dynamics of these compounds to study whether this minimum is induced by structural defects, a decrease of the electron-phonon-coupling or by spin fluctuations. (orig.)
Fritz, Melanie; Hausen, Tobias
2006-01-01
Agrifood supply networks are dynamic structures where firms regularly face the need to search for new market partners. A decision for a transaction with a new partner requires the existence of appropriate control and safeguard mechanisms as well as trust to overcome perceived risk and uncertainties. Electronic transaction environments offer new potentials for the identification of new transaction partners. However, trust and control need to be communicated appropriately in electronic transact...
Czech Academy of Sciences Publication Activity Database
Neděla, Vilém
2008-01-01
Roč. 126, - (2008), 012046:1-4 ISSN 1742-6588. [Electron Microscopy and Analysis Group Conference 2007 (EMAG 2007). Glasgow, 03.09.2007-07.09.2007] R&D Projects: GA ČR(CZ) GA102/05/0886; GA AV ČR KJB200650602 Institutional research plan: CEZ:AV0Z20650511 Keywords : biological sample * VP-SEM * dynamical experiments Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering
International Nuclear Information System (INIS)
Lusanna, Luca
2004-01-01
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 the 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
Dynamics of total electron content distribution during strong geomagnetic storms
Astafyeva, E. I.; Afraimovich, E. L.; Kosogorov, E. A.
We worked out a new method of mapping of total electron content TEC equal lines displacement velocity The method is based on the technique of global absolute vertical TEC value mapping Global Ionospheric Maps technique GIM GIM with 2-hours time resolution are available from Internet underline ftp cddisa gsfc nasa gov in standard IONEX-files format We determine the displacement velocity absolute value as well as its wave vector orientation from increments of TEC x y derivatives and TEC time derivative for each standard GIM cell 5 in longitude to 2 5 in latitude Thus we observe global traveling of TEC equal lines but we also can estimate the velocity of these line traveling Using the new method we observed anomalous rapid accumulation of the ionosphere plasma at some confined area due to the depletion of the ionization at the other spacious territories During the main phase of the geomagnetic storm on 29-30 October 2003 very large TEC enhancements appeared in the southwest of North America TEC value in that area reached up to 200 TECU 1 TECU 10 16 m -2 It was found that maximal velocity of TEC equal lines motion exceeded 1500 m s and the mean value of the velocity was about 400 m s Azimuth of wave vectors of TEC equal lines were orientated toward the center of region with anomaly high values of TEC the southwest of North America It should be noted that maximal TEC values during geomagnetically quiet conditions is about 60-80 TECU the value of TEC equal lines
Dynamic correlation of photo-excited electrons: Anomalous levels induced by light–matter coupling
Energy Technology Data Exchange (ETDEWEB)
Jiang, Xiankai [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China); Song, Bo, E-mail: bosong@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China)
2014-04-01
Nonlinear light–matter coupling plays an important role in many aspects of modern physics, such as spectroscopy, photo-induced phase transition, light-based devices, light-harvesting systems, light-directed reactions and bio-detection. However, excited states of electrons are still unclear for nano-structures and molecules in a light field. Our studies unexpectedly present that light can induce anomalous levels in the electronic structure of a donor–acceptor nanostructure with the help of the photo-excited electrons transferring dynamically between the donor and the acceptor. Furthermore, the physics underlying is revealed to be the photo-induced dynamical spin–flip correlation among electrons. These anomalous levels can significantly enhance the electron current through the nanostructure. These findings are expected to contribute greatly to the understanding of the photo-excited electrons with dynamic correlations, which provides a push to the development and application of techniques based on photosensitive molecules and nanostructures, such as light-triggered molecular devices, spectroscopic analysis, bio-molecule detection, and systems for solar energy conversion.
DEFF Research Database (Denmark)
Pomogaev, Vladimir; Pomogaeva, Anna; Avramov, Pavel
2011-01-01
Three polycyclic organic molecules in various solvents focused on thermo-dynamical aspects were theoretically investigated using the recently developed statistical quantum mechanical/classical molecular dynamics method for simulating electronic-vibrational spectra. The absorption bands of estradiol...
Dynamical optimization techniques for the calculation of electronic structure in solids
International Nuclear Information System (INIS)
Benedek, R.; Min, B.I.; Garner, J.
1989-01-01
The method of dynamical simulated annealing, recently introduced by Car and Parrinello, provides a new tool for electronic structure computation as well as for molecular dynamics simulation. In this paper, we explore an optimization technique that is complementary to dynamical simulated annealing, the method of steepest descents (SD). As an illustration, SD is applied to calculate the total energy of diamond-Si, a system previously treated by Car and Parrinello. The adaptation of SD to treat metallic systems is discussed and a numerical application is presented. (author) 18 refs., 3 figs
Influence of cathode geometry on electron dynamics in an ultrafast electron microscope
Directory of Open Access Journals (Sweden)
Shaozheng Ji
2017-09-01
Full Text Available Efforts to understand matter at ever-increasing spatial and temporal resolutions have led to the development of instruments such as the ultrafast transmission electron microscope (UEM that can capture transient processes with combined nanometer and picosecond resolutions. However, analysis by UEM is often associated with extended acquisition times, mainly due to the limitations of the electron gun. Improvements are hampered by tradeoffs in realizing combinations of the conflicting objectives for source size, emittance, and energy and temporal dispersion. Fundamentally, the performance of the gun is a function of the cathode material, the gun and cathode geometry, and the local fields. Especially shank emission from a truncated tip cathode results in severe broadening effects and therefore such electrons must be filtered by applying a Wehnelt bias. Here we study the influence of the cathode geometry and the Wehnelt bias on the performance of a photoelectron gun in a thermionic configuration. We combine experimental analysis with finite element simulations tracing the paths of individual photoelectrons in the relevant 3D geometry. Specifically, we compare the performance of guard ring cathodes with no shank emission to conventional truncated tip geometries. We find that a guard ring cathode allows operation at minimum Wehnelt bias and improve the temporal resolution under realistic operation conditions in an UEM. At low bias, the Wehnelt exhibits stronger focus for guard ring than truncated tip cathodes. The increase in temporal spread with bias is mainly a result from a decrease in the accelerating field near the cathode surface. Furthermore, simulations reveal that the temporal dispersion is also influenced by the intrinsic angular distribution in the photoemission process and the initial energy spread. However, a smaller emission spot on the cathode is not a dominant driver for enhancing time resolution. Space charge induced temporal broadening
Influence of cathode geometry on electron dynamics in an ultrafast electron microscope.
Ji, Shaozheng; Piazza, Luca; Cao, Gaolong; Park, Sang Tae; Reed, Bryan W; Masiel, Daniel J; Weissenrieder, Jonas
2017-09-01
Efforts to understand matter at ever-increasing spatial and temporal resolutions have led to the development of instruments such as the ultrafast transmission electron microscope (UEM) that can capture transient processes with combined nanometer and picosecond resolutions. However, analysis by UEM is often associated with extended acquisition times, mainly due to the limitations of the electron gun. Improvements are hampered by tradeoffs in realizing combinations of the conflicting objectives for source size, emittance, and energy and temporal dispersion. Fundamentally, the performance of the gun is a function of the cathode material, the gun and cathode geometry, and the local fields. Especially shank emission from a truncated tip cathode results in severe broadening effects and therefore such electrons must be filtered by applying a Wehnelt bias. Here we study the influence of the cathode geometry and the Wehnelt bias on the performance of a photoelectron gun in a thermionic configuration. We combine experimental analysis with finite element simulations tracing the paths of individual photoelectrons in the relevant 3D geometry. Specifically, we compare the performance of guard ring cathodes with no shank emission to conventional truncated tip geometries. We find that a guard ring cathode allows operation at minimum Wehnelt bias and improve the temporal resolution under realistic operation conditions in an UEM. At low bias, the Wehnelt exhibits stronger focus for guard ring than truncated tip cathodes. The increase in temporal spread with bias is mainly a result from a decrease in the accelerating field near the cathode surface. Furthermore, simulations reveal that the temporal dispersion is also influenced by the intrinsic angular distribution in the photoemission process and the initial energy spread. However, a smaller emission spot on the cathode is not a dominant driver for enhancing time resolution. Space charge induced temporal broadening shows a close to
Electron-Cloud Pinch Dynamics in Presence of Lattice Magnet Fields
Franchetti, G
2011-01-01
The pinch of the electron cloud due to a passing proton bunch was extensively studied in a field free region and in a dipolar magnetic field. For the latter study, a strong field approximation helped to formulate the equations of motion and to understand the complex electron pinch dynamics, which exhibited some similarities with the field-free situation. Here we extend the analysis to the case of electron pinch in quadrupoles and in sextupoles. We discuss the limits of validity for the strong field approximation and we evaluate the relative magnitude of the peak tune shift along the bunch expected for the different fields.
Simulations of Electron Cloud Effects on the Beam Dynamics for the FNAL Main Injector Upgrade
International Nuclear Information System (INIS)
Sonnad Kiran G.; Furman, Miguel; Vay, Jean-Luc; Venturini, Marco; Celata, Christine M.; Grote, David
2006-01-01
The Fermilab main injector (MI) is being considered for an upgrade as part of the high intensity neutrino source (HINS) effort. This upgrade will involve a significant increasing of the bunch intensity relative to its present value. Such an increase will place the MI in a regime in which electron-cloud effects are expected to become important. We have used the electrostatic particle-in-cell code WARP, recently augmented with new modeling capabilities and simulation techniques, to study the dynamics of beam-electron cloud interaction. This work in progress involves a systematic assessment of beam instabilities due to the presence of electron clouds
Energy Technology Data Exchange (ETDEWEB)
Fischer, Andreas
2015-01-13
In this thesis, the dissociative single-ionization of molecular hydrogen is investigated in a kinematically complete experiment by employing extreme ultraviolet attosecond pulse trains and infrared femtosecond laser pulses. Induced by the absorption of a single XUV photon, a pronounced energy-dependent asymmetry of the relative emission direction of the photoelectron and the ion is observed. The asymmetry pattern is explained in terms of an interference of two ionization pathways involving a doubly-excited state. This interpretation is validated by a semi-classical model which only takes the nuclear motion into account. Using this model and the observed asymmetry, it is furthermore possible to disentangle the two dissociation pathways which allows for the determination of the autoionization lifetime of the contributing doubly-excited state as a function of the internuclear distance. Moreover, using a pump-probe experiment the dissociation dynamics of molecular hydrogen is investigated. A time-delay dependent momentum distribution of the fragments is observed. With a combined quantum mechanical and semi-classical approach the mechanism giving rise to the observed time-dependence is identified in terms of an intuitive elevator mechanism.
Sun, Jingya
2016-02-25
Selectively capturing the ultrafast dynamics of charge carriers on materials surfaces and at interfaces is crucial to the design of solar cells and optoelectronic devices. Despite extensive research efforts over the past few decades, information and understanding about surface-dynamical processes, including carrier trapping and recombination remains extremely limited. A key challenge is to selectively map such dynamic processes, a capability that is hitherto impractical by time-resolved laser techniques, which are limited by the laser’s relatively large penetration depth and consequently they record mainly bulk information. Such surface dynamics can only be mapped in real space and time by applying four-dimensional (4D) scanning ultrafast electron microscopy (S-UEM), which records snapshots of materials surfaces with nanometer spatial and sub-picosecond temporal resolutions. In this method, the secondary electron (SE) signal emitted from the sample’s surface is extremely sensitive to the surface dynamics and is detected in real time. In several unique applications, we spatially and temporally visualize the SE energy gain and loss, the charge carrier dynamics on the surface of InGaN nanowires and CdSe single crystals and its powder film. We also provide the mechanisms for the observed dynamics, which will be the foundation for future potential applications of S-UEM to a wide range of studies on material surfaces and device interfaces.
Sun, Jingya; Adhikari, Aniruddha; Shaheen, Basamat; Yang, Haoze; Mohammed, Omar F.
2016-01-01
Selectively capturing the ultrafast dynamics of charge carriers on materials surfaces and at interfaces is crucial to the design of solar cells and optoelectronic devices. Despite extensive research efforts over the past few decades, information and understanding about surface-dynamical processes, including carrier trapping and recombination remains extremely limited. A key challenge is to selectively map such dynamic processes, a capability that is hitherto impractical by time-resolved laser techniques, which are limited by the laser’s relatively large penetration depth and consequently they record mainly bulk information. Such surface dynamics can only be mapped in real space and time by applying four-dimensional (4D) scanning ultrafast electron microscopy (S-UEM), which records snapshots of materials surfaces with nanometer spatial and sub-picosecond temporal resolutions. In this method, the secondary electron (SE) signal emitted from the sample’s surface is extremely sensitive to the surface dynamics and is detected in real time. In several unique applications, we spatially and temporally visualize the SE energy gain and loss, the charge carrier dynamics on the surface of InGaN nanowires and CdSe single crystals and its powder film. We also provide the mechanisms for the observed dynamics, which will be the foundation for future potential applications of S-UEM to a wide range of studies on material surfaces and device interfaces.
On the Application of Stark Broadening Data Determined with a Semiclassical Perturbation Approach
Directory of Open Access Journals (Sweden)
Milan S. Dimitrijević
2014-08-01
Full Text Available The significance of Stark broadening data for problems in astrophysics, physics, as well as for technological plasmas is discussed and applications of Stark broadening parameters calculated using a semiclassical perturbation method are analyzed.
Semiclassical approximations in a mean-field theory with collision terms
International Nuclear Information System (INIS)
Galetti, D.
1986-01-01
Semiclassical approximations in a mean-field theory with collision terms are discussed taking the time dependent Hartree-Fock method as framework in the obtainment of the relevant parameters.(L.C.) [pt
Directory of Open Access Journals (Sweden)
Meriem Zouari
2017-11-01
Full Text Available Microstructure evolution within the post-dynamic regime following hot deformation was investigated in Inconel 718 samples with different dynamically recrystallized volume fractions and under conditions such that no δ-phase particles were present. In situ annealing treatments carried out to mimic post-dynamic conditions inside the Scanning Electron Microscope (SEM chamber suggest the occurrence of both metadynamic and static recrystallization mechanisms. Static recrystallization was observed in addition to metadynamic recrystallization, only when the initial dynamically recrystallized volume fraction was very small. The initial volume fraction of dynamically recrystallized grains appears to be decisive for subsequent microstructural evolution mechanisms and kinetics. In addition, the formation of annealing twins is observed along with the growth of recrystallized grains, but then the twin density decreases as the material enters the capillarity-driven grain growth regime.
How electronic dynamics with Pauli exclusion produces Fermi-Dirac statistics.
Nguyen, Triet S; Nanguneri, Ravindra; Parkhill, John
2015-04-07
It is important that any dynamics method approaches the correct population distribution at long times. In this paper, we derive a one-body reduced density matrix dynamics for electrons in energetic contact with a bath. We obtain a remarkable equation of motion which shows that in order to reach equilibrium properly, rates of electron transitions depend on the density matrix. Even though the bath drives the electrons towards a Boltzmann distribution, hole blocking factors in our equation of motion cause the electronic populations to relax to a Fermi-Dirac distribution. These factors are an old concept, but we show how they can be derived with a combination of time-dependent perturbation theory and the extended normal ordering of Mukherjee and Kutzelnigg for a general electronic state. The resulting non-equilibrium kinetic equations generalize the usual Redfield theory to many-electron systems, while ensuring that the orbital occupations remain between zero and one. In numerical applications of our equations, we show that relaxation rates of molecules are not constant because of the blocking effect. Other applications to model atomic chains are also presented which highlight the importance of treating both dephasing and relaxation. Finally, we show how the bath localizes the electron density matrix.
How electronic dynamics with Pauli exclusion produces Fermi-Dirac statistics
International Nuclear Information System (INIS)
Nguyen, Triet S.; Nanguneri, Ravindra; Parkhill, John
2015-01-01
It is important that any dynamics method approaches the correct population distribution at long times. In this paper, we derive a one-body reduced density matrix dynamics for electrons in energetic contact with a bath. We obtain a remarkable equation of motion which shows that in order to reach equilibrium properly, rates of electron transitions depend on the density matrix. Even though the bath drives the electrons towards a Boltzmann distribution, hole blocking factors in our equation of motion cause the electronic populations to relax to a Fermi-Dirac distribution. These factors are an old concept, but we show how they can be derived with a combination of time-dependent perturbation theory and the extended normal ordering of Mukherjee and Kutzelnigg for a general electronic state. The resulting non-equilibrium kinetic equations generalize the usual Redfield theory to many-electron systems, while ensuring that the orbital occupations remain between zero and one. In numerical applications of our equations, we show that relaxation rates of molecules are not constant because of the blocking effect. Other applications to model atomic chains are also presented which highlight the importance of treating both dephasing and relaxation. Finally, we show how the bath localizes the electron density matrix
Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.
2016-05-01
The excited state relaxation dynamics of the solvated electron in H2O and D2O are investigated using time-resolved photoelectron spectroscopy in a liquid microjet. The data show that the initial excited state decays on a time scale of 75 ± 12 fs in H2O and 102 ± 8 fs in D2O, followed by slower relaxation on time scales of 400 ± 70 fs and 390 ± 70 fs that are isotopically invariant within the precision of our measurements. Based on the time evolution of the transient signals, the faster and slower time constants are assigned to p → s internal conversion (IC) of the hydrated electron and relaxation on the ground electronic state, respectively. This assignment is consistent with the non-adiabatic mechanism for relaxation of the hydrated electron and yields an isotope effect of 1.4 ± 0.2 for IC of the hydrated electron.
Study on dynamics of beams of high luminosity in electron linacs
International Nuclear Information System (INIS)
Polyakov, V.A.; Shchedrin, I.S.
1981-01-01
To increase the electron beam luminosity in electron linacs (ELA), designed for electron microscopy, a numerical analysis of the electron dynamics in the ELA is carried out. Insufficiency of the available data on longitudinal beam motion in the 10 -4 -10 -5 relative energy spread on radial motion, as well as inadequacy of the data on aberrations of the second order introduced by the accelerating structure are shown. The necessary accountancy of the longitudinal Coulomb field is also shown. For the 1-10 MeV electron energies, 10 9 and 5x10 9 cm -3 bunch density, 5 deg-0.5 deg phase extension the beam current varies within the 0.2-10 mA. The bunch moves in the drift space of the 2.5 m length. The energy spread is 8x10 -8 (1 MeV) to 10 -4 (10 MeV) at the 2 mA beam current [ru
The electron-furfural scattering dynamics for 63 energetically open electronic states
International Nuclear Information System (INIS)
Costa, Romarly F. da; Varella, Márcio T. do N; Bettega, Márcio H. F.; Neves, Rafael F. C.; Lopes, Maria Cristina A.; Blanco, Francisco; García, Gustavo; Jones, Darryl B.
2016-01-01
We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C 5 H 4 O 2 ). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (N open ) at either the static-exchange (N open ch-SE) or the static-exchange-plus-polarisation (N open ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.
The electron-furfural scattering dynamics for 63 energetically open electronic states
da Costa, Romarly F.; do N. Varella, Márcio T.; Bettega, Márcio H. F.; Neves, Rafael F. C.; Lopes, Maria Cristina A.; Blanco, Francisco; García, Gustavo; Jones, Darryl B.; Brunger, Michael J.; Lima, Marco A. P.
2016-03-01
We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C5H4O2). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (Nopen) at either the static-exchange (Nopen ch-SE) or the static-exchange-plus-polarisation (Nopen ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.
The electron-furfural scattering dynamics for 63 energetically open electronic states
Energy Technology Data Exchange (ETDEWEB)
Costa, Romarly F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, São Paulo 13083-859 (Brazil); Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, São Paulo 09210-580 (Brazil); Varella, Márcio T. do N [Instituto de Física, Universidade de São Paulo, CP 66318, São Paulo, São Paulo 05315-970 (Brazil); Bettega, Márcio H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, Curitiba, Paraná 81531-990 (Brazil); Neves, Rafael F. C. [Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG 36036-900 (Brazil); Lopes, Maria Cristina A. [Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG 36036-900 (Brazil); Blanco, Francisco [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040 (Spain); García, Gustavo [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Jones, Darryl B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); and others
2016-03-28
We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C{sub 5}H{sub 4}O{sub 2}). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (N{sub open}) at either the static-exchange (N{sub open} ch-SE) or the static-exchange-plus-polarisation (N{sub open} ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.
Semiclassical use of action-angle variables in the presence of tunnelling
International Nuclear Information System (INIS)
Carvalho, R.E. de; Almeida, A.M.O. de
1988-01-01
Semiclassical approximations of quantum mechanics are known to be invariant with respect to classical cannonical transformations even though these are not in general isomorphic to unitary transformations in quantum mechanics. It is verified computationally that the energy eigenlevels of a resonant system computed in a harmonic oscillator basis are in good agreement with the semiclassical values obtained with the use of action-angle variables. (A.C.A.S.) [pt
Semiclassical limit and well-posedness of nonlinear Schrodinger-Poisson systems
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Hailiang Li
2003-09-01
Full Text Available This paper concerns the well-posedness and semiclassical limit of nonlinear Schrodinger-Poisson systems. We show the local well-posedness and the existence of semiclassical limit of the two models for initial data with Sobolev regularity, before shocks appear in the limit system. We establish the existence of a global solution and show the time-asymptotic behavior of a classical solutions of Schrodinger-Poisson system for a fixed re-scaled Planck constant.