One-Center rij Integrals Over Slater-Type Orbitals
- 15 November 1971
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 55 (10) , 4699-4710
- https://doi.org/10.1063/1.1675567
Abstract
Expressions are derived for the integrals which arise in calculations of atomic wavefunctions of four or more electrons, utilizing the method of explicit introduction of interelectronic distances rij into a configuration interaction wavefunction (subject to the restriction of at most one rij per configuration). The approach followed in the derivations is similar to one followed by Öhrn and Nordling for three electron integrals; however, in extending the Öhrn and Nordling scheme to four electrons for a basis of s, p, and d Slater‐type orbitals, numerical snags are encountered which have been obviated by an Euler transformation on certain of the auxiliary integrals.Keywords
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