Quantum activated rates - An evolution operator approach

Research output: Contribution to journalArticle

27 Citations (Scopus)

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
JournalThe Journal of Chemical Physics
Volume105
Issue number16
StatePublished - 1996
Externally publishedYes

Fingerprint

Autocorrelation
Chemical reactions
Viscosity
Fluxes
operators
derivation
Temperature
autocorrelation
baths
chemical reactions
methodology
viscosity
interactions
temperature

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Quantum activated rates - An evolution operator approach. / Schwartz, Steven D.

In: The Journal of Chemical Physics, Vol. 105, No. 16, 1996, p. 6871-6879.

Research output: Contribution to journalArticle

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