On the computation of two-center Coulomb integrals over Slater type orbitals using the Poisson equation

Gumus S.

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, cilt.60, sa.7, ss.477-483, 2005 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 60 Sayı: 7
  • Basım Tarihi: 2005
  • Doi Numarası: 10.1515/zna-2005-0702
  • Dergi Adı: ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.477-483
  • Anahtar Kelimeler: Coulomb integral, Slater type orbital, Poisson equation, overlap integral, ELECTRON-REPULSION INTEGRALS, OVERLAP INTEGRALS, ATOMIC ORBITALS, MULTICENTER INTEGRALS, MOLECULAR INTEGRALS, SYMBOLIC CALCULATION, 3-CENTER INTEGRALS, NUCLEAR-ATTRACTION, TRANSLATION METHOD, SERIES EXPANSION
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

In this paper, a new analytical formula has been derived for the two-center Coulomb integrals over Slater type orbitals using the Poisson equation. The obtained results from constructed computer program for the presented formula have been compared with the available literature and it is seen that the efficiency of the presented algorithm for a wide range of quantum numbers, orbital exponents and internuclear distances is satisfactory.