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Studies on dissociation energies of diatomic molecules using vibrational spectroscopic constants
Authors:Shilin?Hou  Email author" target="_blank">Weiguo?SunEmail author
Institution:Institute of Physics, College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Abstract:New analytical expression and numerical approach are suggested to calculate dissociation energies De of diatomic molecular states using an extreme value method (EVM). Studies on some electronic states of OH, BH, N2, Br2, ClF and CO molecules show that the accuracy of the EVM dissociation energies depends on the number of correct vibrational constants used in the calculations. The convergence qualities of De are suggested to be an alternative physical criterion to measure the qualities of the various sets of vibrational constants from different literature for the same diatomic state.
Keywords:molecular dissociation energy  extreme value method  diatomic molecule  vibrational constants
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