GENERALIZED REACTIVE FLUX METHOD FOR NUMERICAL EVALUATION OF RATE CONSTANTS

被引：23

作者：

BORKOVEC, M ^{[1
]}

TALKNER, P ^{[1
]}

机构：

[1] UNIV BASEL,INST PHYS,CH-4056 BASEL,SWITZERLAND

来源：

JOURNAL OF CHEMICAL PHYSICS | 1990年 / 92卷 / 09期

关键词：

D O I：

10.1063/1.458535

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：

Reactive flux method for numerical evaluation of rate constants is generalized to arbitrary underlying dynamics. The feasibility of the method is illustrated by numerically evaluating rate constants for a one-dimensional jump process and a diffusion process. In both cases, we find excellent agreement with exact results known in these cases. © 1990 American Institute of Physics.

引用

页码：5307 / 5310

页数：4

共 38 条

[1] THERMAL-DESORPTION OF ARGON AND NEON FROM SOLID XENON .2. STICKING PROBABILITIES [J].