Potential curves and molecular properties of Na2+ |
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Authors: | CJ Cerjan KK Docken A Dalgarno |
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Institution: | Center for Astrophysics, Harvard College Observatory and Smithsonian Astrophysical Observatory, Cambridge, Massachusetts 02138, USA |
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Abstract: | A model potential method in which a molecule is described as a single electron moving in the field of two polarizable cores is used to calculate the potential energy curves and the wavefunctions of the lowest six electronic states of the molecular ion Na2+. The ground X2Σg state has a dissociation energy of 0.98 eV at an equilibrium separation of 3.3 Å and the excited 2Πu state has a dissociation energy of 0.23 eV at an equilibrium separation of 5.2 Å. Various molecular properties of these two bound states are calculated. An analysis of the long range behaviour of all the six states is presented. |
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