Semiclassical Description of Nonadiabatic Quantum Dynamics

Gerhard Stock and Michael Thoss
Phys. Rev. Lett. 78, 578 – Published 27 January 1997
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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.

  • Received 7 August 1996

DOI:https://doi.org/10.1103/PhysRevLett.78.578

©1997 American Physical Society

Authors & Affiliations

Gerhard Stock and Michael Thoss

  • Institute of Physical and Theoretical Chemistry, Technical University of Munich, D-85748 Garching, Germany

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Issue

Vol. 78, Iss. 4 — 27 January 1997

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