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On the calculation of arbitrary multielectron molecular integrals over Slater‐type orbitals using recurrence relations for overlap integrals. III. Auxiliary functions documentclass{article}pagestyle{empty}begin{document}$Q_{nn'}^{q}$end{document} and documentclass{article}pagestyle{empty}begin{document}$G_{-nn'}^{q}$end{document}
Authors:I. I. Guseinov  B. A. Mamedov
Abstract:The auxiliary functions $Q_{nn'}^{q}(p,pt)$equation image and $G_{-nn'}^{q}(p_{a},p,pt)$equation image which are used in our previous paper [Guseinov, I. I.; Mamedov, B. A. Int J Quantum Chem 2001, 81, 117] for the computation of multicenter electron‐repulsion integrals over Slater‐type orbitals (STOs) are discussed in detail, and the method is given for their numerical computation. The present method is suitable for all values of the parameters pa, p, and pt. Three‐ and four‐center electron‐repulsion integrals are calculated for extremely large quantum numbers using relations for auxiliary functions obtained in this paper. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
Keywords:Slater‐type orbitals  multicenter integrals  auxiliary functions
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