Studies on the potential energy curves of heteronuclear diatomic molecules using energy consistent method

Abstract

The potential energy curves of some heteronuclear diatomic molecules are studies using the energy consistent method (ECM) for the electronic states of Clf-A３Π1, ClF-B0＋(３Π)，CH-X２Π，BH-X1Σ＋，XeO-d1Σ＋，LaF-X1Σ＋，Li7D-X1Σ＋，NaRb-X1Σ＋，KRb-(2)3Σ＋ and KRb-21Π. The results show that the ECM potentials are in excellent agreement with the known Rydberg-Klein-Ress(RKR) data, and are superior to the frequently used Morse potential and Huxley-Murrell-Sorbie(HMS) potential. The EGM potential can give reliable potential data at the molecular asymptote and the dissociation region where the RKR results may not be available.