Determination of [formula omitted] and [formula omitted] from potential energy functions for diatomic molecules

Abstract

For comparing three-parameter potential energy functions near the potential minimum, r e , k e and ω e x e have been used to determine the potential parameters and thence to calculate α e and ω e y e of homonuclear diatomic molecules. Detailed results are presented for α e and ω e y e for the Morse, Rydberg and Varshni potentials. Possible errors in certain spectroscopic constants of some molecules are pointed out.