On an explicit semiclassical analytic formula for model potential parameters of diatomic molecules
Abstract
We provide numerical values of parameters of a closed form semiclassical formula which gives the power expansion coefficients of the internuclear Born-Oppenheimer potential of diatomic molecules in terms of the experimental Dunham coefficients. These power expansion coefficients are useful as a first-order approximation to the potential and as best initial guess for the obtainment of more refined quantum values.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- November 1991
- DOI:
- 10.1063/1.461352
- Bibcode:
- 1991JChPh..95.7771F