Abstract
Expansion of the internuclear Born-Oppenheimer potential for diatomic systems, in the form of a continued fraction, has been investigated. This function satisfies all criteria applicable to a real potential curve of molecules in a stable electronic state; it asymptotically approaches a finite value in the dissociation limit, exhibits a minimum energy at the equilibrium internuclear separation, and approaches a positive value greater than a dissociation energy as the separation decreases. The proposed expansion is applied in quantitative analysis of the infrared, microwave, and Raman spectra of BrCl, NaCl, and The observed transitions are reproduced within experimental errors by making use of fewer fitted parameters than in the approach that employs a power expansion of the potential-energy function.
- Received 22 January 1999
DOI:https://doi.org/10.1103/PhysRevA.60.3300
©1999 American Physical Society