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• W1989374313 startingPage "11107" @default.
• W1989374313 abstract "It is demonstrated that the “corrected Hartree–Fock” (CHF) density matrix functional proposed by Csányi and Arias is identical with the Hartree–Fock–Bogoliubov (HFB) functional of the generalized density matrix up to the sign of the pairing energy term. Using this analogy, variational CHF calculations can be performed much more efficiently by solving the HFB equations for the generalized density matrix than by optimizing separately the natural orbitals and their occupations numbers. A family of CHF-type functionals with a scaled pairing energy is introduced and compared to the closely related antisymmetrized geminal power method." @default.
• W1989374313 created "2016-06-24" @default.
• W1989374313 creator A5016283866 @default.
• W1989374313 creator A5064925546 @default.
• W1989374313 date "2002-12-11" @default.
• W1989374313 modified "2023-09-26" @default.
• W1989374313 title "Optimization of density matrix functionals by the Hartree–Fock–Bogoliubov method" @default.
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• W1989374313 doi "https://doi.org/10.1063/1.1523060" @default.
• W1989374313 hasPublicationYear "2002" @default.
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