Semiclassical Description of Nonadiabatic Quantum Dynamics
- Institute of Physical and Theoretical Chemistry, Technical University of Munich, D-85748 Garching (Germany)
A semiclassical approach is presented that allows us to extend the usual Van Vleck{endash}Gutzwiller formulation to the description of nonadiabatic quantum dynamics on coupled potential-energy surfaces. Based on Schwinger{close_quote}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. {copyright} {ital 1997} {ital The American Physical Society}
- OSTI ID:
- 439092
- Journal Information:
- Physical Review Letters, Vol. 78, Issue 4; Other Information: PBD: Jan 1997
- Country of Publication:
- United States
- Language:
- English
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