Progress in the theory of mixed quantum-classical dynamics.
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Dissipative Quantum Church-Turing TheoremOperational Dynamic Modeling Transcending Quantum and Classical MechanicsA mixed quantum-classical Liouville study of the population dynamics in a model photo-induced condensed phase electron transfer reaction.Perspective: Quantum mechanical methods in biochemistry and biophysics.Trajectory-based nonadiabatic dynamics with time-dependent density functional theory.Improving long time behavior of Poisson bracket mapping equation: a non-Hamiltonian approach.Quantum-classical description of environmental effects on electronic dynamics at conical intersections.Nonadiabatic dynamics of electron transfer in solution: explicit and implicit solvent treatments that include multiple relaxation time scales.On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping.Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+).On the mode-coupling treatment of collective density fluctuations for quantum liquids: para-hydrogen and normal liquid helium.Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: the resonant level model.Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics.Response to "Comment on 'Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+)'" [J. Chem. Phys. 139, 147101 (2013)].Non-equilibrium dynamics from RPMD and CMD.Analysis of the forward-backward trajectory solution for the mixed quantum-classical Liouville equation.Calculation of absorption spectra involving multiple excited states: approximate methods based on the mixed quantum classical Liouville equation.Smoluchowski equation approach for quantum Brownian motion in a tilted periodic potential.Non-oscillatory flux correlation functions for efficient nonadiabatic rate theory.Multi-state trajectory approach to non-adiabatic dynamics: General formalism and the active state trajectory approximation.Path integral molecular dynamics with surface hopping for thermal equilibrium sampling of nonadiabatic systems.On the accuracy of the LSC-IVR approach for excitation energy transfer in molecular aggregates.Decoherence and quantum-classical master equation dynamics.Mean field ring polymer molecular dynamics for electronically nonadiabatic reaction rates.Born-Oppenheimer Dynamics, Electronic Friction, and the Inclusion of Electron-Electron Interactions.Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics.A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states.Efficient computations of quantum canonical Gibbs state in phase space.Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance.Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo.Solution of the master equation for Wigner's quasiprobability distribution in phase space for the Brownian motion of a particle in a double well potential.Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations.Semiclassical master equation in Wigners phase space applied to Brownian motion in a periodic potential.Semiclassical Monte Carlo: a first principles approach to non-adiabatic molecular dynamics.An analysis of model proton-coupled electron transfer reactions via the mixed quantum-classical Liouville approach.Analysis of geometric phase effects in the quantum-classical Liouville formalism.Path integral Monte Carlo with importance sampling for excitons interacting with an arbitrary phonon bath.Nonadiabatic dynamics in open quantum-classical systems: forward-backward trajectory solution.Mapping quantum-classical Liouville equation: projectors and trajectories.Reduced density matrix hybrid approach: an efficient and accurate method for adiabatic and non-adiabatic quantum dynamics.
P2860
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P2860
Progress in the theory of mixed quantum-classical dynamics.
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
2006年學術文章
@zh-hant
name
Progress in the theory of mixed quantum-classical dynamics.
@en
Progress in the theory of mixed quantum-classical dynamics.
@nl
type
label
Progress in the theory of mixed quantum-classical dynamics.
@en
Progress in the theory of mixed quantum-classical dynamics.
@nl
prefLabel
Progress in the theory of mixed quantum-classical dynamics.
@en
Progress in the theory of mixed quantum-classical dynamics.
@nl
P1476
Progress in the theory of mixed quantum-classical dynamics.
@en
P2093
Raymond Kapral
P304
P356
10.1146/ANNUREV.PHYSCHEM.57.032905.104702
P577
2006-01-01T00:00:00Z