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

R. M. Roth; Mark A Ratner

doi:10.1016/0009-2614(84)85751-6

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

R. M. Roth, Mark A Ratner

Northwestern University

Research output: Contribution to journal › Article › peer-review

9 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 language	English
Pages (from-to)	322-327
Number of pages	6
Journal	Chemical Physics Letters
Volume	112
Issue number	4
DOIs	https://doi.org/10.1016/0009-2614(84)85751-6
Publication status	Published - 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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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.",

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