Recent Developments in Kramers’ Theory of Reaction Rates

Author:

Pollak Eli1,Miret‐Artés Salvador2ORCID

Affiliation:

1. Chemical and Biological Physics Department Weizmann Institute of Science 76100 Rehovoth Israel

2. Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas Serrano 123 28006 Madrid Spain

Abstract

AbstractIn this short review, we provide an update of recent developments in Kramers’ theory of reaction rates. After a brief introduction stressing the importance of this theory initially developed for chemical reactions, we briefly present the main theoretical formalism starting from the generalized Langevin equation and continue by showing the main points of the modern Pollak, Grabert and Hänggi theory. Kramers’ theory is then sketched for quantum and classical surface diffusion. As an illustration the surface diffusion of Na atoms on a Cu(110) surface is discussed showing escape rates, jump distributions and diffusion coefficients as a function of reduced friction. Finally, some very recent applications of turnover theory to different fields such as nanoparticle levitation, microcavity polariton dynamics and simulation of reaction in liquids are presented. We end with several open problems and future challenges faced up by Kramers turnover theory.

Funder

Israel Science Foundation

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics

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