Improvement of the RKR procedure obtained by semi-classical calculations

In this letter we present a new technique to improve RKR molecular potential curve calculations. The potential curve obtained gives calculated G(ν) and B(ν) values extremely close to the measured ones. The aim of these calculations is the same as that of the inverted perturbation approach of Vidal a...

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Bibliographic Details
Published in:Chemical physics letters 1983-01, Vol.96 (3), p.293-295
Main Authors: Gouedard, G., Vigue, J.
Format: Article
Language:English
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Summary:In this letter we present a new technique to improve RKR molecular potential curve calculations. The potential curve obtained gives calculated G(ν) and B(ν) values extremely close to the measured ones. The aim of these calculations is the same as that of the inverted perturbation approach of Vidal and Sheingraber, but the potential-well corrections are calculated by using Watson's semi-classical inversion procedure.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(83)80675-7