Connection between the Ogilvie and the Murrell–Sorbie potential energy functions

Abstract

Formulas for relating the parameters of the Murrell–Sorbie and the Ogilvie potentials are developed herein. Unlike the Simons–Parr–Finlan function, the Ogilvie potential is more easily connected with the Murrell–Sorbie potential, as evident from the longer range of agreement. The relationship is useful for generating high order Ogilvie potentials that exhibit the dissociation energy without experimentation, and for using the Murrell–Sorbie parameters in molecular softwares that adopt the Ogilvie function in their algorithms. The relations are invertible so that Ogilvie parameters from spectroscopic data can be applied in molecular softwares that employ Murrell– Sorbie potentials.