Improvement of the RKR procedure obtained by semi-classical calculations
Abstract
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.
- Publication:
-
Chemical Physics Letters
- Pub Date:
- April 1983
- DOI:
- 10.1016/0009-2614(83)80675-7
- Bibcode:
- 1983CPL....96..293G