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Theoretical determination of the K2 electronic structure |
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| Authors: | Sylvie Magnier Monique Aubert-Frécon |
| Institution: | a I.U.F.M. de Bretagne, 153 rue Saint Malo, CS 54310, F-35042 Rennes Cedex, France b Laboratoire de Physique des Atomes, Lasers, Molécules et Surfaces (P.A.L.M.S.), CNRS et Université Rennes I (UMR 6627), Campus de Beaulieu, Bât. 11B, F-35043 Rennes Cedex, France c Laboratoire de Spectrométrie Ionique et Moléculaire (L.A.S.I.M.), CNRS et Université Lyon I (UMR 5579), Campus de la Doua, Bât. Alfred Kastler, 43 Bd du 11 Novembre, F-69622 Villeurbanne Cedex, France |
| Abstract: | A theoretical study of the electronic structure of K2+ is presented. Potential energy curves for the ground and various electronic excited states have been computed in the framework of a model potential method over a wide range of internuclear distances. Spectroscopic constants for the lowest short-range bound states have been determined and they are compared with available experimental and theoretical values. Long-range structures (wells and humps) have been also predicted, some of which being described from a long-range model. |
| Keywords: | Electronic structure Alkali molecular ion Model potential method Ab initio calculations |
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