Journal of Mathematical Chemistry

, Volume 45, Issue 4, pp 884–890

Use of Filter-Steinborn B and Guseinov \({Q_{ns}^q}\) auxiliary functions in evaluation of two-center overlap integrals over Slater type orbitals

Original Paper

Abstract

An efficient method for computing overlap integral over Slater type orbitals based on the B Filter-Steinborn and Guseinov \({Q_{ns}^q}\) auxiliary functions is presented. The final results are expressed through the binomial coefficients with the help of which the overlap integrals can be evaluated efficiently and accurately. The results of calculation are in good agreement with those obtained by other method for arbitrary principal quantum numbers and different screening constants.

Keywords

Slater type orbitals Overlap integrals Auxiliary functions 

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Copyright information

© Springer Science+Business Media, LLC 2008

Authors and Affiliations

  1. 1.Faculty of PhysicsBaku State UniversityBakuAzerbaijan

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