Higher electric multipole moments for some polyatomic molecules from accurate SCF calculations
Communications in Theoretical Physics, vol.38, no.4, pp.489-492, 2002 (SCI-Expanded, Scopus)
- 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.