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

Özdoǧan T.

Communications in Theoretical Physics, vol.38, no.4, pp.489-492, 2002 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 38 Issue: 4
  • Publication Date: 2002
  • Doi Number: 10.1088/0253-6102/38/4/489
  • Journal Name: Communications in Theoretical Physics
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.489-492
  • Keywords: Electric multipole moments, HFR approximation, Slater-type orbitals
  • Ondokuz Mayıs University Affiliated: Yes

Abstract

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.