Quantum activated rates - An evolution operator approach

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27 Scopus citations

Abstract

This article presents a derivation of the rate of reaction in the quantum activated rate problem. In this problem, one studies the rate of a chemical reaction when the reaction is placed in a dissipative bath. Our derivation defines the rate in terms of the flux autocorrelation function and proceeds via the recently developed interaction representation for nonadiabatic corrections to adiabatic evolution operators. This methodology is an infinite order resummation of nonadiabatic corrections to evolution operators. The approach produces an analytic expression which yields accurate results over a ranse of temperatures, viscosities and system parameters through the Kramers turnover region.

Original languageEnglish (US)
Pages (from-to)6871-6879
Number of pages9
JournalJournal of Chemical Physics
Volume105
Issue number16
DOIs
StatePublished - Jan 1 1996
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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