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Use of one-range addition theorems in terms of ϕα for ϕα-ETO and Coulomb- Yukawa like correlated interaction potentials with integer and noninteger indices in evaluation of multicenter multielectron integrals

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Abstract

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 ϕα-exponential type orbitals (ϕα-ETO, α = 1, 0, −1, −2, …) for ϕα-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 ϕα-ETO as basis functions.

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Authors and Affiliations

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

    I. I. Guseinov

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  1. I. I. Guseinov
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Correspondence to I. I. Guseinov.

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Guseinov, I.I. Use of one-range addition theorems in terms of ϕα for ϕα-ETO and Coulomb- Yukawa like correlated interaction potentials with integer and noninteger indices in evaluation of multicenter multielectron integrals. JICS 8, 643–647 (2011). https://doi.org/10.1007/BF03245895

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  • DOI: https://doi.org/10.1007/BF03245895

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