Information-guided noise reduction in forward-backward semiclassical dynamics

Jonathan Chen, Nancy Makri

Research output: Contribution to journalArticlepeer-review

Abstract

Information-guided noise reduction (IGNoR) [Chem. Phys. Lett. 2004, 400, 446], a procedure for reducing the statistical error in Monte Carlo integration of oscillatory functions, is generalized to cases where both the prototype function and remaining integrand are complex-valued. The method is applied to the forward-backward semiclassical dynamics approximation of time correlation functions. Illustrative calculations of velocity autocorrelation functions in supercritical argon and liquid neon are presented.

Original languageEnglish (US)
Pages (from-to)4-9
Number of pages6
JournalJournal of Chemical Theory and Computation
Volume7
Issue number1
DOIs
StatePublished - Jan 11 2011

ASJC Scopus subject areas

  • Computer Science Applications
  • Physical and Theoretical Chemistry

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