A THEORY FOR THE THERMALLY ACTIVATED RATE-CONSTANT IN SYSTEMS WITH SPATIALLY DEPENDENT FRICTION

被引：29

作者：

HAYNES, GR ^{[1
]}

VOTH, GA ^{[1
]}

POLLAK, E ^{[1
]}

机构：

[1] WEIZMANN INST SCI, DEPT CHEM PHYS, IL-76100 REHOVOT, ISRAEL

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 207卷 / 4-6期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0009-2614(93)89005-3

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：

An analytic theory is presented for the thermally activated rate constant in systems which exhibit spatially dependent and time-correlated friction along the reaction coordinate motion. The theory is valid over the entire range of damping strengths, including in the region of the Kramers turnover. It is compared to the results of computer simulations on a model nonlinear system and excellent agreement is obtained. The present work significantly generalizes existing theories for the activated rate constant which are based on the generalized Langevin equation for the reaction coordinate motion and spatially independent friction.

引用

页码：309 / 316

页数：8

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