Molecular Three-Center Nuclear-Attraction Integrals via Ellipsoidal Coordinates

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Abstract
Formulas are presented for a series expansion method for molecular three‐center nuclear‐attraction integrals, using a modified Laplace expansion due to Sack. It is shown how to extend the technique to two‐electron‐exchange integrals and to one type of three‐center electron‐repulsion integral. Electronic integrations are conducted in ellipsoidal coordinates using two centers as foci. The auxiliary functions arising from the analysis of the nuclear‐attraction integrals are simpler than those occurring with conventional expansion methods.