Dissociation energy of diatomic molecules
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The dissociation energy of twelve diatomic molecules has been determined by fitting four-parameter potential functionU(r)=De[[1−exp{−b(r−re)}]/ [1−Cexp{−b(r−re)}]]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 ofDe 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 constantωexe has also been calculated for the same electronic states yielding average mean deviation 8.9%.
Volume 96, 2022
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