Self-consistent field Hartree-Fock frogram for atoms
✍ Scribed by L.V. Chernysheva; N.A. Cherepkov; V. Radojević
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 76 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0010-4655
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## Abstract A one‐electron correlation operator is introduced into the Hartree–Fock self‐consistent field equation. The correlation operator is derived from the second‐order perturbation theory. Energies of atomic and molecular systems calculated from this modified Hartree–Fock equation are equal t
## Abstract The general methods of deriving the extended Hartree–Fock equations are described. The rules for going over from the energy expression in the ordinary method of calculation to that in an extended one are reformulated and illustrated. The extended Hartree—Fock equations for berylliumlike