Local modes and cross-correlation functions

J. T. Muckerman, D. W. Noid, M. S. Child

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

It is shown how the use of cross-correlation functions and their Fourier transforms provides a convenient probe of the division of the classical phase space for stretching vibrations of H2O into local, normal, and stochastic fractions. Resulting classical estimates for the numbers of total and local states, N(E) and Nl(E), respectively, as functions of energy are in excellent agreement with previous quantal and semiclassical results. The classical estimate of the number of stochastic states Ns(E) as a function of energy is a new result. The present method is readily generalizable to polyatomic molecules with many vibrational degrees of freedom.

Original languageEnglish
Pages (from-to)3981-3989
Number of pages9
JournalThe Journal of Chemical Physics
Volume78
Issue number6
DOIs
Publication statusPublished - Jan 1 1983

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Local modes and cross-correlation functions'. Together they form a unique fingerprint.

  • Cite this