DYNAMICS OF MULTIDIMENSIONAL BARRIER CROSSING IN THE OVERDAMPED LIMIT

被引：21

作者：

CARMELI, B ^{[1
]}

MUJICA, V ^{[1
]}

NITZAN, A ^{[1
]}

机构：

[1] TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL

来源：

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 1991年 / 95卷 / 03期

关键词：

CHEMICAL KINETICS; DIFFUSION; NONEQUILIBRIUM PHENOMENA; TRANSPORT PROPERTIES;

D O I：

10.1002/bbpc.19910950316

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：

Two methods for numerical solution of multidimensional diffusion problems are presented and applied to the two dimensional barrier crossing problem in the overdamped limit. One of these methods is based on evaluating the smallest non-vanishing eigenvalue of the Smoluchowski equation, and the other is based on an adaption of Chandler's steady state correlation function approach. Both methods make use of the fast Fourier transform algorithm for solving a transformed version of the Smoluchowski equation. The numerical solutions are compared to results on the Kramers theory and some observations concerning effects of the dynamics of barrier crossing problems are made.

引用

页码：319 / 326

页数：8

共 37 条

[1]

AGMON, 1991, BER BUNSEN PHYS CHEM, V95, P278

[2] REACTIVE LINE-SHAPE NARROWING IN LOW-TEMPERATURE INHOMOGENEOUS GEMINATE RECOMBINATION OF CO TO MYOGLOBIN [J].