Adiabatic and self-consistent-field approximations for coupled vibrations: A simple two-mode comparison

R. M. Roth*, Mark A. Ratner

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

A simple coupled harmonic oscillator model is used to test the SCF and adiabatic approximations for coupled-mode systems. Both approximations are quite good; both fail when the unperturbed frequencies of the two modes approach degeneracy. While for two-mode systems the approximations are roughly comparable, for real molecules, the more easily applied SCF is preferable. Semiclassical quantization may be used with both approximations.

Original languageEnglish (US)
Pages (from-to)322-327
Number of pages6
JournalChemical Physics Letters
Volume112
Issue number4
DOIs
StatePublished - Dec 14 1984

ASJC Scopus subject areas

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

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