Evaluation of bielectronic integrals for 1s Slater orbitals by using averages

Abstract

ABSTRACT:A new approach for evaluating the four-center bielectronic integrals (12͉34), involving 1s Slater-type orbitals, is presented. The method uses the multiplication theorem for Bessel functions. The bielectronic integral is expressed in terms of a finite sum of functions, and a scaling parameter is introduced. In the present work, the scaling parameter used is an average. The results show that the first term in the sum is always the principal contribution, and the remainder has a corrective character. The whole scheme and its numerical trend are understood on the basis of a theorem recently proved.