Analytical evaluation of multicenter multielectron integrals of central and noncentral interaction potentials over Slater orbitals using overlap integrals and auxiliary functions


Guseinov I.

JOURNAL OF MATHEMATICAL CHEMISTRY, vol.36, no.2, pp.83-91, 2004 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 36 Issue: 2
  • Publication Date: 2004
  • Doi Number: 10.1023/b:jomc.0000038774.73562.19
  • Journal Name: JOURNAL OF MATHEMATICAL CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.83-91

Abstract

Using expansion formulas for central and noncentral interaction potentials (CIPs and NCIPs, respectively) in terms of Slater type orbitals (STOs) obtained by the author ( I. I. Guseinov, J. Mol. Model., in press), the multicenter multielectron integrals of arbitrary interaction potentials (AIPs) are expressed through the products of overlap integrals with the same screening parameters and new auxiliary functions. For auxiliary functions, the analytic and recurrence relations are derived. The relationships obtained for multicenter multielectron integrals of AIDs are valid for the arbitrary quantum numbers, screening parameters and location of orbitals.