Higher electric multipole moments for some polyatomic molecules from accurate SCF calculations

Özdoǧan T.

Communications in Theoretical Physics, cilt.38, sa.4, ss.489-492, 2002 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 38 Sayı: 4
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1088/0253-6102/38/4/489
  • Dergi Adı: Communications in Theoretical Physics
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.489-492
  • Anahtar Kelimeler: Electric multipole moments, HFR approximation, Slater-type orbitals
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

Higher electric multipole moments for the ground-state electronic configuration of some polyatomic molecules, i.e. CH4, NH3, H2O, were calculated from SCF-HFR wavefunctions using Slater-type orbital basis sets. The calculated results for electric multipole moments of these molecules are in good agreement with the theoretical and experimental ones.