Modelling of potential energy curves for diatomics: Reference molecular potential method |
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| Affiliation: | Heat and Mass Transfer Institute, BSSR Academy of Sciences, Minsk, USSR;Nuclear Power Engineering Institute, BSSR Academy of Sciences, Minsk, USSR;Department of Basic and Clinical Sciences, University of Nicosia Medical School, 2408 Nicosia, Cyprus |
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| Abstract: | A method is suggested for modelling the potential energy curves of diatomics. It involves a search for the mapping which transfers the structural details from an analytically prescribed reference potential. For the ground-state potentials of seven covalent molecules, the accuracy in describing the spectroscopic region is comparable with the best empirical potentials, and the correct asymptotic behaviour at R → 0 and R → ∞ are also obtained. |
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