A FEYNMAN PATH INTEGRAL APPROACH FOR CALCULATING QUANTUM RATE CONSTANTS IN COMPLEX-SYSTEMS

被引：11
|
作者：
VOTH, GA
机构：
来源：
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 1991年 / 95卷 / 03期
关键词：
CHEMICAL KINETICS; METHODS AND SYSTEMS; QUANTUM MECHANICS; STATISTICAL MECHANICS;
D O I：
10.1002/bbpc.19910950330
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：
A theoretical framework is discussed in which imaginary time Feynman path integration is adapted to define a quantum mechanical free energy for activated rate processes. Recently developed variational theories for the estimation of this factor, as well as the quantum dynamical corrections to the rate constant, are also discussed.
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页码：393 / 399
页数：7
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