A Method of Analysis of Vibration–Rotational and Rotational Spectra of Light Diatomic Molecules

ISSN： 0022-2852

Source： Journal of Molecular Spectroscopy, Vol.182, Iss.1, 1997-03, pp. : 57-64

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Abstract

The potential model of G. Thompsonet al.[J. Mol. Spectrosc.124,130–138 (1987)] for an analysis of the vibrational–rotational and the rotational spectra of diatomic molecules is modified by an algebraic WKB treatment of the Schrödinger equation given by Watson's effective Hamiltonian. A compact expression is given for the contributions from the adiabatic and nonadiabatic correction terms in the Hamiltonian to the Dunham'sY_ijcoefficients. The present model is applied to the reported vibrational–rotational and rotational spectra of LiH as a typical light diatomic molecule where effects of the diabatic and nonadiabatic corrections are significant, and all spectral lines of all isotopomers are fitted to a single set of molecular constants simultaneously well within experimental errors. The analytical expressions for ∆^a,b_&ohgr;and ∆^a,b_Bobtained in the present study provide the basis for the validity of the potential model of Thompsonet al.for molecules composed of heavier atoms.