Instability of the Hartree-Fock solutions for various conjugated heterocyclic systems
✍ Scribed by M. N. Glukhovtsev; B. Ya. Simkin; V. I. Minkin
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1981
- Tongue
- English
- Weight
- 489 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0022-4766
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📜 SIMILAR VOLUMES
## Abstract The conditions for instability of solutions of Hartree–Fock and projected Hartree–Fock equations are derived in a form involving finite real symmetric matrices. These conditions are also expressed in terms of the Fock–Dirac density matrix, both at the spin–orbital and at the orbital lev
## Abstract A recently proposed scheme based on the variation–iteration method is applied to the solution of the Hartree–Fock equations for atomic systems. The procedure depends on the repeated application of a Green's integral operator which involves a single numerical quadrature at each stage. Th