Evaluation of one- and two-electron multicenter integrals of Yukawa-like screened central and noncentral interaction potentials over slater orbitals using addition theorems


Guseinov I., Mamedov B.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, cilt.16, ss.837-842, 2005 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 16 Konu: 6
  • Basım Tarihi: 2005
  • Doi Numarası: 10.1142/s0129183105007534
  • Dergi Adı: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Sayfa Sayıları: ss.837-842

Özet

By the use of complete orthonormal sets of Psi(alpha)-exponential type orbitals (psi(alpha)-ETOs, where alpha = 1, 0, -1, -2....), the series expansion formulae are established for the one-and two-electron multicenter integrals of arbitrary Yukawa-like screened central and noncentral interaction potentials (YSCPs and YSNCPs) in terms of two- and three-center overlap integrals of three Slater type orbitals (STOs). The convergence of the series is tested by the concrete cases of parameters. The formulae given in this study for the evaluation of one- and two-electron multicenter integrals of YSCPs and YSNCPs show good rate of convergence and numerical stability.