Spin‐projected EHF method. II. The equations for successive optimization of the orbitals in the many‐electron case

I. Mayer, J. Kondász

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14 Citations (Scopus)

Abstract

The extended Hartree–Fock equations of the spin‐projected scheme are derived in a form suitable for the construction of a surely convergent method of solution using successive optimization of the individual orbitals. The derivation is based on a specific form of the generalized Brillouin theorem.

Original languageEnglish
Pages (from-to)517-526
Number of pages10
JournalInternational Journal of Quantum Chemistry
Volume9
Issue number3
DOIs
Publication statusPublished - 1975

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derivation
theorems
orbitals
optimization

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

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abstract = "The extended Hartree–Fock equations of the spin‐projected scheme are derived in a form suitable for the construction of a surely convergent method of solution using successive optimization of the individual orbitals. The derivation is based on a specific form of the generalized Brillouin theorem.",
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