Application of the shifted large-N method to the rovibrational spectroscopy of diatomic molecules

Bag, M.; Panja, M. M.; Dutt, R.; Varshni, Y. P.
July 1991
Journal of Chemical Physics;7/15/1991, Vol. 95 Issue 2, p1139
Academic Journal
Computations of energy levels, expectation values of various powers of internuclear separation, and Franck–Condon factors for molecular potentials have been carried out within the framework of shifted large-N technique. In contrast to other perturbative as well as semiclassical calculations, we obtain compact analytic expressions for these quantities. For illustration, our predicted results for perturbed Kratzer potential are compared with those derived by numerical integration. The method gives quite accurate results for a wide range of rovibrational quantum numbers. Further possible applications, in particular, to Morse oscillators are finally discussed.


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