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, cilt.36, ss.83-91, 2004 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 36 Konu: 2
  • Basım Tarihi: 2004
  • Doi Numarası: 10.1023/b:jomc.0000038774.73562.19
  • Dergi Adı: JOURNAL OF MATHEMATICAL CHEMISTRY
  • Sayfa Sayıları: ss.83-91

Özet

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.