Semiclassical description of quantum coherence effects and their quenching:: A forward-backward initial value representation study

被引:115
作者
Wang, HB [1 ]
Thoss, M
Sorge, KL
Gelabert, R
Giménez, X
Miller, WH
机构
[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA
[2] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA
关键词
D O I
10.1063/1.1337802
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The forward-backward (FB) version of the semiclassical (SC) initial value representation (IVR) is used to study quantum coherence effects in the time-dependent probability distribution of an anharmonic vibrational coordinate and its quenching when coupled to a thermal bath. It is shown that the FB-IVR accurately reproduces the detailed quantum coherent structure in the weak coupling regime, and also describes how this coherence is quenched with an increase of the system-bath coupling and/or the bath temperature. Comparisons are made with other approximations and the physical implications are discussed. (C) 2001 American Institute of Physics.
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页码:2562 / 2571
页数:10
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