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

R. M. Roth, Mark A Ratner

Research output: Contribution to journalArticle

8 Citations (Scopus)

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
Pages (from-to)322-327
Number of pages6
JournalChemical Physics Letters
Volume112
Issue number4
DOIs
Publication statusPublished - Dec 14 1984

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

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