Matrix formulation of the generalized Hartree‐Fock methods

M. M. Mestechkin, G. E. Whyman

Research output: Contribution to journalArticlepeer-review

30 Scopus citations


Spin‐projected one‐particle density and spin density matrices are presented as polynomials of suitable unprojected quantities with generalized Sasaki‐Ohno coefficients. Thus an explicit form of Harriman's theorems is given. For the two‐particle spatial density matrix an expansion in direct products of powers of unprojected residual electron and spin density matrices is given. For these basic matrices of the scheme the variational spin‐extended equations are formulated.

Original languageEnglish
Pages (from-to)45-60
Number of pages16
JournalInternational Journal of Quantum Chemistry
Issue number1
StatePublished - Jan 1974
Externally publishedYes


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