Abstract
Several versions of the time-dependent semiclassical approximation have recently become available as practical tools for calculating dynamical quantities of large molecular systems. These methods are based on the forward-backward idea that combines the quantum evolution in opposite directions of time into a single, consecutive propagation. The forward-backward semiclassical propagator is not highly oscillatory and is thus suitable for numerical evaluation by Monte Carlo methods. The present article reviews a forward-backward phase space formulation of the Heisenberg operator that also eliminates the semiclassical prefactor, leading to a practical tool for calculating observables and time correlation functions.
Original language | English (US) |
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Pages (from-to) | 400-417 |
Number of pages | 18 |
Journal | ACS Symposium Series |
Volume | 828 |
DOIs | |
State | Published - 2002 |
ASJC Scopus subject areas
- General Chemistry
- General Chemical Engineering