Electric Multipole Moments for Some First-Row Diatomic Hydride Molecules

Orbay M., Özdoǧan T.

Communications in Theoretical Physics, cilt.35, sa.5, ss.585-588, 2001 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 35 Sayı: 5
  • Basım Tarihi: 2001
  • Doi Numarası: 10.1088/0253-6102/35/5/585
  • Dergi Adı: Communications in Theoretical Physics
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.585-588
  • Anahtar Kelimeler: Multipole moments, Slater-type orbitals, The first-row diatomic molecules
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

As an example of the use of the analytical formulas derived for electric multipole moment integrals over STOs in our previous work (I.I. Guseinov, et al., J. Mol. Struct. (Theochem) 465 (1999) 5), the 2v-pole electric moments have been calculated for the ground electronic states of LiH, BH and FH of the first-row diatomic hydride molecules. Calculated electric multipole moment values are in agreement with literatures. By the use of these analytical formulas the 2v -pole moments for multiatomic molecules can be evaluated most efficiently and accurately by employing STOs as basis sets.