Unified treatment of multicenter integrals of integer and noninteger u Yukawa-type screened Coulomb type potentials and their derivatives over Slater orbitals


Guseinov I.

JOURNAL OF CHEMICAL PHYSICS, vol.120, no.20, pp.9454-9457, 2004 (Journal Indexed in SCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 120 Issue: 20
  • Publication Date: 2004
  • Doi Number: 10.1063/1.1711595
  • Title of Journal : JOURNAL OF CHEMICAL PHYSICS
  • Page Numbers: pp.9454-9457

Abstract

Multicenter integrals with integer and noninteger values of indices u of Yukawa-type screened Coulomb-type potentials (SCTPs) f(u)(eta,r)=r(u-1)e(-etar) and their derivatives over Slater-type orbitals (STOs) are evaluated using series expansion formulas obtained from the expansions in terms of complete orthonormal sets of Psi(alpha)-exponential-type orbitals (Psi(alpha)-ETOs, alpha=1, 0, -1, -2,...). The final results obtained are valid for the arbitrary values of parameters of SCTPs and STOs. (C) 2004 American Institute of Physics.