Finite temperature correlation functions via forward-Backward semiclassical dynamics

Eric Jezek, Nancy Makri

Research output: Contribution to journalArticlepeer-review

Abstract

The forward-backward semiclassical treatment of ensemble averaged quantities is combined with a discretized path integral description of the Boltzmann operator describing the initial density. We present a practical Monte Carlo methodology for calculating time-dependent expectation values and time correlation functions, applicable to polyatomic systems.

Original languageEnglish (US)
Pages (from-to)2851-2857
Number of pages7
JournalJournal of Physical Chemistry A
Volume105
Issue number12
DOIs
StatePublished - Mar 29 2001

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Finite temperature correlation functions via forward-Backward semiclassical dynamics'. Together they form a unique fingerprint.

Cite this