Dissociation energy of diatomic molecules

The dissociation energy of twelve diatomic molecules has been determined by fitting four-parameter potential functionU(r)=D _e1−exp{−b(r−r _e)}]/ 1−Cexp{−b(r−r _e)}]]² to the true Rydberg-Klein-Rees (RKR) curves for their fifteen electronic states using the mean square deviation as the criterion for the selection of the best fit. Average deviation ofD _e has been found to be 2.7% as compared to 20.5% obtained with Lippincott’s potential function for these molecules. In addition the anharmonocity constantω _ex_e has also been calculated for the same electronic states yielding average mean deviation 8.9%.