Generalized moment expansion for Brownian relaxation processes

Walter Nadler, Klaus J Schulten

Research output: Contribution to journalArticle

Abstract

The generalized moment expansion has previously only been used to provide an effective algorithm for the approximation of the time dependence of observables connected with reactive Brownian processes. We extend this algorithm to describe the relaxation of observables in nonreactive processes. The wide applicability of the method is demonstrated for various examples: equilibrium correlation functions like autocorrelation functions and dynamic structure factors, particle number correlation functions monitoring diffusive redistribution, and barrier crossing problems.

Original languageEnglish (US)
Pages (from-to)151-160
Number of pages10
JournalThe Journal of Chemical Physics
Volume82
Issue number1
DOIs
StatePublished - Jan 1 1985

ASJC Scopus subject areas

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

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