Symmetries and detailed balance in forward-backward semiclassical dynamics

Jian Liu, Nancy Makri

Research output: Contribution to journalArticlepeer-review

Abstract

Symmetry properties of time correlation functions within the forward-backward semiclassical dynamics (FBSD) approximation are considered. It is shown that FBSD autocorrelation functions of momentum and position-dependent operators satisfy rigorously the time symmetry relation of the quantum mechanical expression. The detailed balance condition follows from this symmetry in the special case where the density is given by the Boltzmann operator. The derived properties are illustrated with numerical simulations on liquid neon.

Original languageEnglish (US)
Pages (from-to)23-29
Number of pages7
JournalChemical Physics
Volume322
Issue number1-2
DOIs
StatePublished - Mar 6 2006

Keywords

  • Correlation functions
  • Dynamics
  • Semiclassical

ASJC Scopus subject areas

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

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