Coherent state semiclassical initial value representation for the Boltzmann operator in thermal correlation functions

Nancy Makri, William H. Miller

Research output: Contribution to journalArticle

Abstract

A semiclassical (SC) methodology was presented to study the Boltzmann operator entering semiclassical approximations for finite correlation functions. The phase-space representation produced exponentially decaying factors for the coordinates and momenta of the real time trajectories employed in the dynamical part of the calculation. It was found that the given methodology was accurate and stable over the temperature range relevant to chemical applications.

Original languageEnglish (US)
Pages (from-to)9207-9212
Number of pages6
JournalJournal of Chemical Physics
Volume116
Issue number21
DOIs
StatePublished - Jun 1 2002

ASJC Scopus subject areas

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

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