Deviations from the born-oppenheimer approximation in nonlinear X2Y molecules

Yu S. Makushkin, O. N. Ulenikov

Research output: Contribution to journalArticle

Abstract

The full electron-nuclear operator of a nonlinear molecule is diagonalized on the (nondegenerate) basis of electron states. Corrections to the vibration-rotation Hamiltonian of the Born-Oppenheimer adiabatic approximation are derived from it. Corrections to harmonic frequencies and reciprical moments of inertia, generated by deviations from the Born-Oppenheimer approximation, are obtained for molecules of the H2O type.

Original languageEnglish
Pages (from-to)1011-1015
Number of pages5
JournalSoviet Physics Journal
Volume18
Issue number7
DOIs
Publication statusPublished - 1 Jul 1975
Externally publishedYes

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Born-Oppenheimer approximation
deviation
moments of inertia
electron states
molecules
harmonics
operators
vibration
approximation
electrons

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Deviations from the born-oppenheimer approximation in nonlinear X2Y molecules. / Makushkin, Yu S.; Ulenikov, O. N.

In: Soviet Physics Journal, Vol. 18, No. 7, 01.07.1975, p. 1011-1015.

Research output: Contribution to journalArticle

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