Computation of Molecular Integrals Over Slater-Type Orbitals. IV. Calculation of Multicenter Electron-Repulsion Integrals Using Recurrence Relations for Overlap Integrals

Abstract

Using formulas given by one of the authors [I.I. Guseinov, J. Mol. Struct. (Theochem) 417 (1997) 117], the multicenter electron-repulsion integrals with the arbitrary location and screening constants of Slater-type orbitals (STOs) are calculated for extremely large quantum numbers. Accuracy of the results is quite high for quantum numbers n, l and m of STOs. (C) 2000 Elsevier Science B.V.