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Campo DC | Valor | Lengua/Idioma |
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dc.contributor.author | Valdemoro, Carmela | - |
dc.contributor.author | Tel, Luis María | - |
dc.contributor.author | Pérez-Romero, Encarnación | - |
dc.contributor.author | Alcoba, Diego Ricardo | - |
dc.date.accessioned | 2009-07-09T12:27:56Z | - |
dc.date.available | 2009-07-09T12:27:56Z | - |
dc.date.issued | 2008-01-10 | - |
dc.identifier.citation | International Journal of Quantum Chemistry 108(6): 1090-1096 (2008) | en_US |
dc.identifier.issn | 0020-7608 | - |
dc.identifier.uri | http://hdl.handle.net/10261/14552 | - |
dc.description | 7 pages.-- Printed version published May 2008. | en_US |
dc.description.abstract | Through the use of an important property of a fourth-order correlation matrix previously reported (Valdemoro, C.; Tel, L. M.; Alcoba, D. R.; Perez-Romero, E.; Casquero, F. J. Int J Quantum Chem 2002, 90, 1555; Alcoba, D. R.; Valdemoro, C. Phys Rev A 2001, 64, 062105) four new equivalent forms of the second-order contracted Schrödinger equation (2-CSE) are obtained. The role played by the energy terms involving these correlation matrices is crucial in the solution of these equations. The relations linking the Hermitian (Yasuda, K. Phys Rev A 1999, 59, 4133) and antiHermitian parts (Mazziotti, D. A. Phys Rev Lett 2006, 97, 142002) of the 2-CSE with these correlation energy terms are analyzed in detail. A discussion of the second-order hypervirial condition is also given here. | en_US |
dc.description.sponsorship | This work was supported by the Spanish Ministerio de Educación y Ciencia, Contract Grant no. BFM2003-05133, by Universidad de Buenos Aires, Contract Grant no. X-024 and by Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), República Argentina, Contract Grant no. 5098/05. | en_US |
dc.format.extent | 102798 bytes | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | en_US |
dc.publisher | John Wiley & Sons | en_US |
dc.rights | closedAccess | en_US |
dc.subject | Contracted Schrödinger equation | en_US |
dc.subject | antiHermitian contracted Schrödinger equation | en_US |
dc.subject | Reduced density matrix | en_US |
dc.subject | Correlation matrix | en_US |
dc.subject | Electronic correlation effects | en_US |
dc.title | Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition | en_US |
dc.type | artículo | en_US |
dc.identifier.doi | 10.1002/qua.21576 | - |
dc.description.peerreviewed | Peer reviewed | en_US |
dc.relation.publisherversion | http://dx.doi.org/10.1002/qua.21576 | en_US |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.grantfulltext | none | - |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | No Fulltext | - |
item.languageiso639-1 | en | - |
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