Literature DB >> 25429932

Multidimensional reaction rate theory with anisotropic diffusion.

Alexander M Berezhkovskii1, Attila Szabo2, Nicholas Greives3, Huan-Xiang Zhou3.   

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.

Mesh：

Year:  2014        PMID： 25429932      PMCID： PMC4247370          DOI： 10.1063/1.4902243

Source DB:  PubMed          Journal:  J Chem Phys        ISSN： 0021-9606            Impact factor:   3.488


  4 in total

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