• 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