Semiclassical time evolution in the forward-backward stationary-phase limit

被引:0
|
作者
Makri, N [1 ]
Shao, J [1 ]
机构
[1] Univ Illinois, Dept Chem, Urbana, IL 61801 USA
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中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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. (C) 2002 American Chemical Society.
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页码:400 / 417
页数:18
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