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Matrix formulation of the generalized Hartree-Fock methods

✍ Scribed by M. M. Mestechkin; G. E. Whyman

Publisher
John Wiley and Sons
Year
1974
Tongue
English
Weight
597 KB
Volume
8
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

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.

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