Convergence criteria for the Hartree iterative solution of the general self-consistent field equations
✍ Scribed by D. J. Rowe; G. Rosensteel
- Publisher
- Springer
- Year
- 1976
- Tongue
- English
- Weight
- 562 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0020-7748
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The quadratically convergent approach.to solving the correct SW equations for generai open-sheIL systems (with orthogonal orbitals..'i,e., multiconfiguration-SCF or Hattree-Fock} is derived and used to discuss other less complicated a Hz0 ZIAl [(lal)2 (2a# (lbl)2 (lJ~2) 8 proaches. Representative ca
## 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