1993 Volume 66 Issue 11 Pages 3300-3308
An equation has been derived for a correlated electronic wave function satisfying the two-particle correlation cusp condition. Molecular integrals of spatial operators in the equation have been formulated based on the recursive formulations of general molecular integrals given by Honda, Sato, and Obara. An efficient scheme of computing them is proposed by taking advantage of the recursive and translational relations of the integrals.
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