The calculation of potential energy curves of diatomic molecules: Application to halogen molecules

Abstract

Methods for computing the vibrational turning points of diatomic molecules are summarized. An extension of the technique described by Vanderslice et al. is used to derive simple analytical expressions for calculation of the turning points from spectroscopic data. For most molecular states, the method gives results in agreement with those from sophisticated numerical procedures. Recently available spectroscopic data have been used to determine the potential energy curves for the 1∑ + g and 3Π(0 + u ) states of Cl 2 and Br 2.