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One-center r sub ij integrals over Slater-type orbitals.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.
Document ID
19720028314
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Sims, J. S.
(NASA Ames Research Center Space Sciences Div., Moffett Field, Calif., United States)
Hagstrom, S. A.
(Indiana University Bloomington, Ind., United States)
Date Acquired
August 6, 2013
Publication Date
November 15, 1971
Publication Information
Publication: Journal of Chemical Physics
Volume: 55
Subject Category
Physics, Atomic, Molecular, And Nuclear
Accession Number
72A11980
Distribution Limits
Public
Copyright
Other

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