Abstract

Calculations of diatomic potential energy curves calculated by using two different kinds of effective core potentials are presented. The curves studied are the ground states of NaH/sup +/ and KH/sup +/ and the lowest /sup 3/II and /sup 1/II states of NaH and KH. The two methods yield qualitatively similar but quantitatively different results. The best values calculated for the potential well depths and positions for NaH/sup +/ and KH/sup +/ are 0.06 and 0.02 eV and 5.1a/sub 0/ and 6.5a/sub 0/, respectively. Both methods predict that the potential curves of the II states of the neutrals are qualitatively similar to the potential curves of the ground states of the ions.

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