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

✍ Scribed by R.M. Roth; Mark A. Ratner

Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 536 KB
Volume: 112
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(84)85751-6

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✦ Synopsis

A simple coupled harmonic oscillator model is used to test the SCF and adiabatic approximations for coopled-mode sydems. Both approsbnations are quite good; both fair when the unperturbed frequencies of the two modes approach degeneracy. Whiie for two-mode systems the approximations are roughly COmpWdble, for real molecules, the more e&y applied SCF is preferab.ble. Semiclassical quantization may bemused with both approximations.

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