Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition

Autores
Valdemoro, C.; Tel, L. M.; Pérez Romero, E.; Alcoba, Diego Ricardo
Año de publicación
2007
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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. © 2008 Wiley Periodicals, Inc.
Fil: Valdemoro, C.. Consejo Superior de Investigaciones Científicas; España
Fil: Tel, L. M.. Universidad de Salamanca; España
Fil: Pérez Romero, E.. Universidad de Salamanca; España
Fil: Alcoba, Diego Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina
Materia
Antihermitian Contracted SchrÖDinger Equation
Contracted SchrÖDinger Equation
Correlation Matrix
Electronic Correlation Effects
Reduced Density Matrix
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/62506
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/62506
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial conditionValdemoro, C.Tel, L. M.Pérez Romero, E.Alcoba, Diego RicardoAntihermitian Contracted SchrÖDinger EquationContracted SchrÖDinger EquationCorrelation MatrixElectronic Correlation EffectsReduced Density Matrixhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Through 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. © 2008 Wiley Periodicals, Inc.Fil: Valdemoro, C.. Consejo Superior de Investigaciones Científicas; EspañaFil: Tel, L. M.. Universidad de Salamanca; EspañaFil: Pérez Romero, E.. Universidad de Salamanca; EspañaFil: Alcoba, Diego Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; ArgentinaJohn Wiley & Sons Inc2007-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/62506Valdemoro, C.; Tel, L. M.; Pérez Romero, E.; Alcoba, Diego Ricardo; Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition; John Wiley & Sons Inc; International Journal of Quantum Chemistry; 108; 6; 12-2007; 1090-10960020-7608CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1002/qua.21576info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.21576info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:05:31Zoai:ri.conicet.gov.ar:11336/62506instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-10 13:05:32.163CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition
title Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition
spellingShingle Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition
Valdemoro, C.
Antihermitian Contracted SchrÖDinger Equation
Contracted SchrÖDinger Equation
Correlation Matrix
Electronic Correlation Effects
Reduced Density Matrix
title_short Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition
title_full Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition
title_fullStr Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition
title_full_unstemmed Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition
title_sort Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition
dc.creator.none.fl_str_mv Valdemoro, C.
Tel, L. M.
Pérez Romero, E.
Alcoba, Diego Ricardo
author Valdemoro, C.
author_facet Valdemoro, C.
Tel, L. M.
Pérez Romero, E.
Alcoba, Diego Ricardo
author_role author
author2 Tel, L. M.
Pérez Romero, E.
Alcoba, Diego Ricardo
author2_role author
author
author
dc.subject.none.fl_str_mv Antihermitian Contracted SchrÖDinger Equation
Contracted SchrÖDinger Equation
Correlation Matrix
Electronic Correlation Effects
Reduced Density Matrix
topic Antihermitian Contracted SchrÖDinger Equation
Contracted SchrÖDinger Equation
Correlation Matrix
Electronic Correlation Effects
Reduced Density Matrix
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv 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. © 2008 Wiley Periodicals, Inc.
Fil: Valdemoro, C.. Consejo Superior de Investigaciones Científicas; España
Fil: Tel, L. M.. Universidad de Salamanca; España
Fil: Pérez Romero, E.. Universidad de Salamanca; España
Fil: Alcoba, Diego Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina
description 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. © 2008 Wiley Periodicals, Inc.
publishDate 2007
dc.date.none.fl_str_mv 2007-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/62506
Valdemoro, C.; Tel, L. M.; Pérez Romero, E.; Alcoba, Diego Ricardo; Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition; John Wiley & Sons Inc; International Journal of Quantum Chemistry; 108; 6; 12-2007; 1090-1096
0020-7608
CONICET Digital
CONICET
url http://hdl.handle.net/11336/62506
identifier_str_mv Valdemoro, C.; Tel, L. M.; Pérez Romero, E.; Alcoba, Diego Ricardo; Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition; John Wiley & Sons Inc; International Journal of Quantum Chemistry; 108; 6; 12-2007; 1090-1096
0020-7608
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1002/qua.21576
info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.21576
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv John Wiley & Sons Inc
publisher.none.fl_str_mv John Wiley & Sons Inc
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.993085

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