Forward-backward semiclassical dynamics in the interaction representation

Jiushu Shao, Nancy Makri

Research output: Contribution to journalArticlepeer-review

Abstract

Use of the interaction representation leads to a quantum forward-backward semiclassical dynamics (FBSD) scheme which combines full quantum mechanical treatment of the subsystem of interest with a FBS description of its environment. This method is applied to the study of the dissipative tunneling dynamics of a double-well system coupled to a harmonic oscillator bath, a model describing many important chemical processes such as isomerization in solution. While the unmodified FBSD fails to predict tunneling dynamics, the quantum-FBSD formulation based on the interaction representation leads to a correct description of dissipative tunneling dynamics when the coupling between the system and the environment is weak. In the zero coupling limit the interaction FBSD scheme reverts to the full quantum mechanical solution.

Original languageEnglish (US)
Pages (from-to)3681-3685
Number of pages5
JournalJournal of Chemical Physics
Volume113
Issue number9
DOIs
StatePublished - Sep 1 2000

ASJC Scopus subject areas

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

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