Semiclassical approximations to quantum time correlation functions

被引:91
作者
Egorov, SA [1 ]
Skinner, JL
机构
[1] Univ Wisconsin, Inst Theoret Chem, Madison, WI 53706 USA
[2] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA
基金
美国国家科学基金会;
关键词
D O I
10.1016/S0009-2614(98)00807-0
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
Over the last 40 years several ad hoc semiclassical approaches have been developed in order to obtain approximate quantum time correlation functions, using as input only the corresponding classical time correlation functions. The accuracy of these approaches has been tested for several exactly solvable gas-phase models. In this paper we test the accuracy of these approaches by comparing to an exactly solvable many-body condensed-phase model. We show that in the frequency domain the Egelstaff approach is the most accurate, especially at high frequencies, while in the time domain one of the other approaches is more accurate. (C) 1998 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:469 / 476
页数:8
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