Evaluation of Guseinov Auxiliary Function by the Use of Binomial Expansion Theorem

摘要

In this work, a new approach is proposed for calculating Guseinov's G_(-ns)~q (p_a,p,pt) auxiliary function. The established formulae for Guseinov's G_(-ns)~q (p_a, p, pt) auxiliary functions are prime importance in accurate evaluation of two-electron multicenter molecular integrals over Slater type orbitals arising from combined Harthree-Fock-Roothaan equations. This analytical method based on the binomial expansion theorem and has provided accurate results for various ranges of parameters. The calculating results can be useful for electronic structure evaluations of the atoms and molecules.