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Optimization of density matrix functionals by the Hartree–Fock–Bogoliubov method

✍ Scribed by Staroverov, Viktor N.; Scuseria, Gustavo E.

Book ID: 119942310
Publisher: American Institute of Physics
Year: 2002
Tongue: English
Weight: 369 KB
Volume: 117
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1523060

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## 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 dir