Title of article
Convergence of Translation Formulas for the Computation of Multicenter Integrals over Slater Orbitals
Author/Authors
Guseinov، نويسنده , , I.I. and Mamedov، نويسنده , , B.A.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
10
From page
428
To page
437
Abstract
Multicenter electron-repulsion integrals are calculated using auxiliary functions and two kinds of translation formulas for Slater-type orbitals (STOs) obtained from the expansion of STOs, in terms of exponential-type orbitals at a displaced center, that form complete orthonormal sets and are represented by linear combinations of STOs. The convergence of the series for real STOs is tested by calculating concrete cases. Accuracy of the results is quite high for quantum numbers, screening constants, and location of STOs.
Journal title
Journal of Computational Physics
Serial Year
2001
Journal title
Journal of Computational Physics
Record number
1476795
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