Premium
Two approaches to stochastic rate theory
Author(s) -
Christov S. G.
Publication year - 1997
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1997)64:4<393::aid-qua1>3.0.co;2-r
Subject(s) - statistical physics , mathematical economics , econometrics , economics , physics
A comparison is made between two approaches to a Kramers‐typereaction rate theory. The usual one is based on a linear coupling modelbetween a particle and the medium oscillators. Use is made of two differentseparable reaction coordinates in the absence and presence of coupling,respectively. A more general model consists of assuming an arbitrary(nonlinear) coupling between the reactant and medium, making use of asingle (curvilinear) reaction coordinate of the entire many‐dimensionalsystem (reactant+medium). A comparison with the exact dynamic ratetheory is made, showing its equivalence with the generalized stochastictheory. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 64 : 393–401, 1997