The doublet instabilities of the Hartree-Fock solutions for the cation and anion radicals of fulvalene systems
✍ Scribed by Azumao Toyota; Mutsuo Saito; Takeshi Nakajima
- Publisher
- Springer
- Year
- 1980
- Tongue
- English
- Weight
- 620 KB
- Volume
- 56
- Category
- Article
- ISSN
- 1432-2234
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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