Please use this identifier to cite or link to this item: http://hdl.handle.net/10553/49472
Title: A new extended Hartree-Fock function: The omega function. II. Correlation analysis and numerical applications
Authors: Doreste-Suarez, L.
Smeyers, Y. G.
Delgado-Barrio, G.
Martin-Gonzalez, J. M. 
Ruiz-Egea, E.
UNESCO Clasification: 2206 Física molecular
Issue Date: 1985
Publisher: 0166-1280
Journal: Journal of Molecular Structure: THEOCHEM 
Abstract: The omega function for singlet states is defined as a linear combination of 2n slater determinants, where n is the number of electron pairs. This wavefunction is analyzed. The energy value and the first and second density matrix for Beryllium are determined, and the results are compared with those obtained by using other Hartree-Fock models. It is found that the omega function introduce a significant part of the correlation energy.
URI: http://hdl.handle.net/10553/49472
ISSN: 0166-1280
DOI: 10.1016/0166-1280(85)85137-X
Source: Journal of Molecular Structure: THEOCHEM [ISSN 0166-1280], v. 120, p. 437-441
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