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'sYijcoefficients. 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 Δa,bωand Δa,bBobtained in the present study provide the basis for the validity of the potential model of Thompsonet al.for molecules composed of heavier atoms.
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