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

I I Guseinov

doi:10.1063/1.1711595

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

J Chem Phys. 2004 May 22;120(20):9454-7. doi: 10.1063/1.1711595.

Author

I I Guseinov¹

Affiliation

¹ Department of Physics, Faculty of Arts and Sciences, Onsekiz Mart University, Canakkale, Turkey. iguseinov@cheerful.com

PMID: 15267956
DOI: 10.1063/1.1711595

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.