The pair polarizabilities of Li+/Li+ and Cl−/Cl− |
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Authors: | David G. Bounds Alan Hinchliffe |
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Affiliation: | Chemistry Department, University of Manchester Institute of Science and Technology, Manchester M60 1QD, UK |
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Abstract: | Ab initio SCF MO energies and pair polarizabilities are reported for the pairs Li+/Li+ and Cl?/Cl? over the ranges of internuclear separation which are of importance in molten LiCl. The shapes of the β(R) curves resemble those of inert gas diatoms. The Cl?/Cl? interaction is predicted to make a rather small contribution to those properties of molten LiCl which depend on (2)(R), and a larger contribution to properties which depend on β(R). The Li+/Li+ interaction contributes almost nothing to the bulk polarizability. |
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