Cartesian expressions for surface and regular solid spherical harmonics using binomial coefficients and its use in the evaluation of multicenter integrals

Özdoǧan T., Orbay M.

Czechoslovak Journal of Physics, cilt.52, sa.12, ss.1297-1302, 2002 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 52 Sayı: 12
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1023/a:1021863409989
  • Dergi Adı: Czechoslovak Journal of Physics
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.1297-1302
  • Anahtar Kelimeler: Multicenter integrals, Regular solid spherical harmonics, Surface spherical harmonics
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

In this study, we present cartesian expressions for surface and regular solid spherical harmonics using binomial coefficients. The obtained results are useful for the calculation of multicenter molecular integrals over Slater type orbitals, especially for large values of quantum numbers. The main advantage of presented formulae in the evaluation of multicenter integrals is discussed.