Local modes and cross-correlation functions

James 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
JournalJournal of Chemical Physics
Volume78
Issue number6
Publication statusPublished - 1983

Fingerprint

cross correlation
Stretching
Fourier transforms
Molecules
polyatomic molecules
estimates
division
degrees of freedom
vibration
energy
probes

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Muckerman, J., Noid, D. W., & Child, M. S. (1983). Local modes and cross-correlation functions. Journal of Chemical Physics, 78(6), 3981-3989.

Local modes and cross-correlation functions. / Muckerman, James; Noid, D. W.; Child, M. S.

In: Journal of Chemical Physics, Vol. 78, No. 6, 1983, p. 3981-3989.

Research output: Contribution to journalArticle

Muckerman, J, Noid, DW & Child, MS 1983, 'Local modes and cross-correlation functions', Journal of Chemical Physics, vol. 78, no. 6, pp. 3981-3989.
Muckerman, James ; Noid, D. W. ; Child, M. S. / Local modes and cross-correlation functions. In: Journal of Chemical Physics. 1983 ; Vol. 78, No. 6. pp. 3981-3989.
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