Hartree-fock type calculation on 12C
β Scribed by M. Bouten; L. Schotsmans; P. Van Leuven
- Publisher
- Elsevier Science
- Year
- 1966
- Weight
- 147 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0031-9163
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The electronic structure of corundum (a-A&O,) is calculated at the ab initio Hartree-Fock level. Cohesive energy, total and projected densities of states, atomic multipoles, bond populations and electron charge density distribution maps are given. The oxygen-aluminium bond is found to be partially c
## Instrtut fur StralderrcJ~etme ml Ala_\ Piarlck Itrstltut jiir h'oliletlforsc~ilo~g, 04330 ~h~llzerrn a d Ruler, West Gernlarly Rccetvcd 31 March 1980 Ab motto calculattons usmg basts sets of double-zeta qualtty m the valence regton were performed for GeH2 and SnH2 rn the 'Al and 3B1 states The
The Hartrec-Pock problem is i.nvcstig&ed by examining the symmetry properrics of the SC F spin-orbit&. These can be classified ;LS closed-shell, open-sheil or general spin-orbit& accordin:: to the commutation rules satisfied by their one-electron sCF hamiltoniarrs. The effect of symmetry-brcakmg in