J. Iran. Chem. Soc., Vol. 8, No. 3 September 2011, pp.643~647.

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Use of One-Range Addition Theorems in Terms of ψα-ETO for ψα-ETO and Coulomb-Yukawa Like Correlated Interaction Potentials with Integer and Noninteger Indices in Evaluation of Multicenter Multielectron Integrals

I.I. Guseinov

Department of Physics, Faculty of Arts and Sciences, Onsekiz Mart University, Canakkale, Turkey

Multicenter multielectron integrals appearing in the study of multielectron properties of atomic and molecular systems are evaluated using one-range addition theorems in terms of complete orthonormal sets of ψα-exponential type orbitals (ψα-ETO, α = 1, 0, -1, -2, …) for ψα-ETO and Coulomb-Yukawa like correlated interaction potentials (CIP) introduced by the author. The final results are especially useful for the computation of arbitrary multicenter multielectron integrals that arise in the Hartree-Fock-Roothaan (HFR) approximation and also in the explicitly correlated methods based upon the use of ψα-ETO as basis functions.

Keywords: ψα-Exponential type orbitals, Correlated interaction potentials, One-range addition theorems, Multicenter multielectron integrals

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