Simple a b i n i t i o calculations using a floating basis. Periodic correlations in second row diatomic hydrides

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Abstract
Calculations have been performed on second row diatomic hydrides and cations using an adaption of the floating spherical Gaussian orbital model of A.A. Frost. Geometries are determined to about 3%. The periodic trends in ionization potentials, geometry changes on ionization, population analysis, dipole and quadrupole moments, the total potential at the hydrogen nucleus, polarizabilty and susceptibilities are described and discussed (when appropriate) in terms of changes in the localized orbital model. The results suggest that the hydrides and their cations may be divided into electrovalent and covalent groups, but that the absolute ionicity is not a definite guide to the electronic structure.

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