DETERMINATION OF INTERNAL POTENTIALS FOR DIATOMIC-MOLECULES USING THEDEFORMABLE BODY MODEL AND EXTENDED DUNHAM APPROACH

Application of the deformable body model and the extended Dunham appro ach to determine the internal potentials for diatomic molecules is pre sented. The method is applied to rigid, semirigid, and van der Waals m olecules in various representations of the Born-Oppenheimer potential expansions including the Dunham, Simons-Parr-Finlan, and Coolidge-Jame s-Vernon functions. It is shown that the modified approach provides a reproduction of the rovibrational spectra to within the order of exper imental errors, and produces potential parameters whose values smoothl y change and significantly differ from those obtained in the standard scheme. (C) 1994 Academic Press, Inc.