Abstract.
Using translation and rotation formulas for spherical harmonics the finite sums through the basic overlap integrals and spherical harmonics are derived for the arbitrary overlap integrals over Slater-type orbitals (STOs). The recurrence relations for the evaluation of basic overlap integrals have been established recently [Guseinov II, Mamedov BA (1999) J Mol Struct (THEOCHEM) 465:1]. By the use of the derived expressions the overlap integrals can be calculated most efficiently and accurately, especially for large quantum numbers of STOs.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
Author information
Authors and Affiliations
Additional information
Received: 2 May 2000 / Accepted: 31 May 2000 / Published online: 11 September 2000
Rights and permissions
About this article
Cite this article
Guseinov, I., Mamedov, B. Calculation of overlap integrals over Slater-type orbitals using translational and rotational transformations for spherical harmonics. Theor Chem Acc 105, 93–95 (2000). https://doi.org/10.1007/s002140000184
Issue Date:
DOI: https://doi.org/10.1007/s002140000184