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Please use this identifier to cite or link to this item: http://hdl.handle.net/10553/49472
DC FieldValueLanguage
dc.contributor.authorDoreste-Suarez, L.en_US
dc.contributor.authorSmeyers, Y. G.en_US
dc.contributor.authorDelgado-Barrio, G.en_US
dc.contributor.authorMartin-Gonzalez, J. M.en_US
dc.contributor.authorRuiz-Egea, E.en_US
dc.date.accessioned2018-11-24T07:44:59Z-
dc.date.available2018-11-24T07:44:59Z-
dc.date.issued1985en_US
dc.identifier.issn0166-1280en_US
dc.identifier.urihttp://hdl.handle.net/10553/49472-
dc.description.abstractThe 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.en_US
dc.languageengen_US
dc.publisher0166-1280-
dc.relation.ispartofJournal of Molecular Structure: THEOCHEMen_US
dc.sourceJournal of Molecular Structure: THEOCHEM [ISSN 0166-1280], v. 120, p. 437-441en_US
dc.subject2206 Física molecularen_US
dc.titleA new extended Hartree-Fock function: The omega function. II. Correlation analysis and numerical applicationsen_US
dc.typeinfo:eu-repo/semantics/Articlees
dc.typeArticlees
dc.identifier.doi10.1016/0166-1280(85)85137-X
dc.identifier.scopus4243095290-
dc.contributor.authorscopusid6505978378-
dc.contributor.authorscopusid7004259819-
dc.contributor.authorscopusid35550188400-
dc.contributor.authorscopusid6603384846-
dc.contributor.authorscopusid7801405318-
dc.description.lastpage441-
dc.description.firstpage437-
dc.relation.volume120-
dc.investigacionCienciasen_US
dc.type2Artículoen_US
dc.utils.revisionSíen_US
dc.date.coverdateEnero 1985
dc.identifier.ulpgcSíes
item.grantfulltextnone-
item.fulltextSin texto completo-
crisitem.author.orcid0000-0003-0096-7142-
crisitem.author.fullNameMartín González, Juan Manuel-
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