On the evaluation overlap integrals with the same and different screening parameters over Slater type orbitals via the Fourier-transform method

Yavuz M., Yukcu N., Oztekin E., Yilmaz H., Dondur S.

COMMUNICATIONS IN THEORETICAL PHYSICS, cilt.43, sa.1, ss.151-158, 2005 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 43 Sayı: 1
  • Basım Tarihi: 2005
  • Doi Numarası: 10.1088/0253-6102/43/1/029
  • Dergi Adı: COMMUNICATIONS IN THEORETICAL PHYSICS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.151-158
  • Anahtar Kelimeler: overlap integrals, Gegenbauer polynomials, Slater type orbitals, 2-CENTER OVERLAP, NUCLEAR ATTRACTION, COULOMB INTEGRALS, CONVERGENCE, RATES
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

In this paper, derivation of analytical expressions for overlap integrals with the same and different screening parameters of Slater type orbitals (STOs) via the Fourier-transform method is presented. Consequently, it is relatively easy to express the Fourier integral representations of the overlap integrals with same and different screening parameters mentioned as finite sums of Gegenbauer, Gaunt, binomial coefficients, and STOs.