Journal ArticleDOI
Semiclassical Description of Nonadiabatic Quantum Dynamics
Gerhard Stock,Michael Thoss +1 more
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In this article, a semiclassical approach is presented that allows us to extend the usual Van Vleck-Gutzwiller formulation to the description of nonadiabatic quantum dynamics on coupled potential energy surfaces.Abstract:
A semiclassical approach is presented that allows us to extend the usual Van Vleck--Gutzwiller formulation to the description of nonadiabatic quantum dynamics on coupled potential-energy surfaces. Based on Schwinger's theory of angular momentum, the formulation employs an exact mapping of the discrete quantum variables onto continuous degrees of freedom. The resulting dynamical problem is evaluated through a semiclassical initial-value representation of the time-dependent propagator. As a first application we have performed semiclassical simulations for a spin-boson model, which reproduce the exact quantum-mechanical results quite accurately.read more
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Journal ArticleDOI
Semiclassical Description of Electronic Excitation Population Transfer in a Model Photosynthetic System
Guohua Tao,William H. Miller +1 more
TL;DR: In this paper, a linearized approximation to the SC-IVR for time correlation functions is proposed to describe the long-lived quantum coherent dynamics, in excellent agreement with Ishizaki−Fleming results.
Journal ArticleDOI
Mapping quantum-classical Liouville equation: projectors and trajectories.
TL;DR: It is shown that the mapping quantum-classical Liouville operator commutes with the projection operator so that the dynamics is confined to the physical space and a trajectory-based solution of this equation can be constructed that requires the simulation of an ensemble of entangled trajectories.
Journal ArticleDOI
Semiclassical description of electronically nonadiabatic dynamics via the initial value representation.
TL;DR: The initial value representation (IVR) of semiclassical (SC) theory is used in conjunction with the Meyer-Miller/Stock-Thoss description of electronic degrees of freedom in order to treat electronically nonadiabatic processes.
Journal ArticleDOI
A semiclassical generalized quantum master equation for an arbitrary system-bath coupling
Qiang Shi,Eitan Geva +1 more
TL;DR: Application of the linearized semiclassical (LSC) approximation for calculating the relatively short-lived memory kernel, followed by a numerically exact solution of the GQME is found to provide an accurate description of the relaxation dynamics.
Journal ArticleDOI
Electronic transitions with quantum trajectories. II
TL;DR: In this article, the quantum trajectory method (QTM) is applied to nonadiabatic electronic transitions and the probability density, velocity, position, and action functions for a discretized wave packet moving along coupled potential energy surfaces are derived.
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