Abstract
A physically well behaved analytical potential of a diatomic system is constructed based on perturbation theory and a potential correction to the Murrell-Sorbie potential. Alternative formulae for rotational constants and ro-vibrational energies are suggested. An energy-consistent method is proposed for calculating accurate potential energy curves of diatomic states. Applications of this method to the electronic states X 1g+, C 1u, a 3g+, e 3u+ of H2, the ground state X 1g+ of N2, and the states X 3g-, C 1u-, B 3u- of the O2 molecule show that the present potential agrees excellently with the known Ryderberg-Klein-Rees data or accurate configuration-interaction (CI) studies, and is better than other analytical and some CI potentials, particularly for molecular electronic excited states.
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