Published in

American Institute of Physics, The Journal of Chemical Physics, 20(141), p. 204106

DOI: 10.1063/1.4902243

Links

Tools

Export citation

Search in Google Scholar

Multidimensional reaction rate theory with anisotropic diffusion

Journal article published in 2014 by Alexander M. Berezhkovskii, Attila Szabo, Nicholas Greives, Huan-Xiang Zhou ORCID
This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Upload
Green circle
Postprint: archiving allowed
Upload
Orange circle
Published version: archiving restricted
Upload
Policy details
Data provided by SHERPA/RoMEO

Abstract

An analytical expression is derived for the rate constant that describes diffusive transitions between two deep wells of a multidimensional potential. The expression, in contrast to the Kramers-Langer formula for the rate constant, is valid even when the diffusion is highly anisotropic. Our approach is based on a variational principle for the reactive flux and uses a trial function for the splitting probability or commitor. The theoretical result is validated by Brownian dynamics simulations. (C) 2014 AIP Publishing LLC.