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Calculation of two-center overlap integral in molecular coordinate system over Slater type orbital using Löwdin α-radial and Guseinov rotation–angular functions

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An Erratum to this article was published on 05 September 2008

Abstract

By use of Löwdin and Guseinov relations for the radial and angular part of two-center overlap integrals, respectively, the computer calculations of overlap integrals over Slater type orbitals (STOs) in molecular coordinate system are performed. The results of calculations are valid for arbitrary principal quantum numbers, screening constants and location of STOs. Excellent agreement with benchmark results and stability of the technique are demonstrated.

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Authors and Affiliations

  1. Department of Physics, Faculty of Arts and Sciences, Gaziosmanpaşa University, Tokat, Turkey

    B. A. Mamedov & H. Koç

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  1. B. A. Mamedov
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  2. H. Koç
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Correspondence to B. A. Mamedov.

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An erratum to this article can be found at http://dx.doi.org/10.1007/s10910-008-9449-5

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Mamedov, B.A., Koç, H. Calculation of two-center overlap integral in molecular coordinate system over Slater type orbital using Löwdin α-radial and Guseinov rotation–angular functions. J Math Chem 44, 365–372 (2008). https://doi.org/10.1007/s10910-007-9313-z

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  • DOI: https://doi.org/10.1007/s10910-007-9313-z

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