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NASA NTRS · 19720028314

One-center r sub ij integrals over Slater-type orbitals.

Abstract

Expressions are derived for the integrals which arise in calculations of atomic wavefunctions of four or more electrons, using the method of explicit introduction of interelectronic distances into a configuration interaction wavefunction (subject to the restriction of at most one interelectronic distance per configuration). The approach followed in the derivations is similar to one followed by OEhrn and Nordling for three electron integrals; however, in extending the OEhrn 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 a Euler transformation on certain of the auxiliary integrals.

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BibTeXRIS

Sims, J. S., Hagstrom, S. A.. 1971-11-15. One-center r sub ij integrals over Slater-type orbitals.. https://ntrs.nasa.gov/citations/19720028314

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