On the lower bound on the exchange-correlation energy in two dimensions

Autores
Räsänen, Esa; Pittalis, Stefano; Proetto, Cesar Ramon; Capelle, K.
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We study the properties of the lower bound on the exchange-correlation energy in two dimensions. First we review the derivation of the bound and show how it can be written in a simple density-functional form. This form allows an explicit determination of the prefactor of the bound and testing its tightness. Next we focus on finite two-dimensional systems and examine how their distance from the bound depends on the system geometry. The results for the high-density limit suggest that a finite system that comes as close as possible to the ultimate bound on the exchange-correlation energy has circular geometry and a weak confining potential with a negative curvature.
Fil: Räsänen, Esa. Universidad de Jyvaskyla; Finlandia
Fil: Pittalis, Stefano. Freie Universität Berlin; Alemania. European Theoretical Spectroscopy Facility; Estados Unidos
Fil: Proetto, Cesar Ramon. Freie Universität Berlin; Alemania. European Theoretical Spectroscopy Facility; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
Fil: Capelle, K.. Universidade de Sao Paulo; Brasil
Materia
DENSITY-FUNCTIONAL THEORY
LIEB-OXFORD BOUND
QUANTUM DOT
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:11336/124855
Acceder
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network_name_str CONICET Digital (CONICET)
spelling On the lower bound on the exchange-correlation energy in two dimensionsRäsänen, EsaPittalis, StefanoProetto, Cesar RamonCapelle, K.DENSITY-FUNCTIONAL THEORYLIEB-OXFORD BOUNDQUANTUM DOThttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We study the properties of the lower bound on the exchange-correlation energy in two dimensions. First we review the derivation of the bound and show how it can be written in a simple density-functional form. This form allows an explicit determination of the prefactor of the bound and testing its tightness. Next we focus on finite two-dimensional systems and examine how their distance from the bound depends on the system geometry. The results for the high-density limit suggest that a finite system that comes as close as possible to the ultimate bound on the exchange-correlation energy has circular geometry and a weak confining potential with a negative curvature.Fil: Räsänen, Esa. Universidad de Jyvaskyla; FinlandiaFil: Pittalis, Stefano. Freie Universität Berlin; Alemania. European Theoretical Spectroscopy Facility; Estados UnidosFil: Proetto, Cesar Ramon. Freie Universität Berlin; Alemania. European Theoretical Spectroscopy Facility; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; ArgentinaFil: Capelle, K.. Universidade de Sao Paulo; BrasilElsevier Science2010-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/124855Räsänen, Esa; Pittalis, Stefano; Proetto, Cesar Ramon; Capelle, K.; On the lower bound on the exchange-correlation energy in two dimensions; Elsevier Science; Physica E; 42; 4; 2-2010; 1236-12381386-9477CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1386947709005621info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physe.2009.11.126info:eu-repo/semantics/altIdentifier/arxiv/https://arxiv.org/abs/0909.0415info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-11-12T09:39:49Zoai:ri.conicet.gov.ar:11336/124855instacron: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:34982025-11-12 09:39:50.01CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv On the lower bound on the exchange-correlation energy in two dimensions
title On the lower bound on the exchange-correlation energy in two dimensions
spellingShingle On the lower bound on the exchange-correlation energy in two dimensions
Räsänen, Esa
DENSITY-FUNCTIONAL THEORY
LIEB-OXFORD BOUND
QUANTUM DOT
title_short On the lower bound on the exchange-correlation energy in two dimensions
title_full On the lower bound on the exchange-correlation energy in two dimensions
title_fullStr On the lower bound on the exchange-correlation energy in two dimensions
title_full_unstemmed On the lower bound on the exchange-correlation energy in two dimensions
title_sort On the lower bound on the exchange-correlation energy in two dimensions
dc.creator.none.fl_str_mv Räsänen, Esa
Pittalis, Stefano
Proetto, Cesar Ramon
Capelle, K.
author Räsänen, Esa
author_facet Räsänen, Esa
Pittalis, Stefano
Proetto, Cesar Ramon
Capelle, K.
author_role author
author2 Pittalis, Stefano
Proetto, Cesar Ramon
Capelle, K.
author2_role author
author
author
dc.subject.none.fl_str_mv DENSITY-FUNCTIONAL THEORY
LIEB-OXFORD BOUND
QUANTUM DOT
topic DENSITY-FUNCTIONAL THEORY
LIEB-OXFORD BOUND
QUANTUM DOT
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We study the properties of the lower bound on the exchange-correlation energy in two dimensions. First we review the derivation of the bound and show how it can be written in a simple density-functional form. This form allows an explicit determination of the prefactor of the bound and testing its tightness. Next we focus on finite two-dimensional systems and examine how their distance from the bound depends on the system geometry. The results for the high-density limit suggest that a finite system that comes as close as possible to the ultimate bound on the exchange-correlation energy has circular geometry and a weak confining potential with a negative curvature.
Fil: Räsänen, Esa. Universidad de Jyvaskyla; Finlandia
Fil: Pittalis, Stefano. Freie Universität Berlin; Alemania. European Theoretical Spectroscopy Facility; Estados Unidos
Fil: Proetto, Cesar Ramon. Freie Universität Berlin; Alemania. European Theoretical Spectroscopy Facility; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
Fil: Capelle, K.. Universidade de Sao Paulo; Brasil
description We study the properties of the lower bound on the exchange-correlation energy in two dimensions. First we review the derivation of the bound and show how it can be written in a simple density-functional form. This form allows an explicit determination of the prefactor of the bound and testing its tightness. Next we focus on finite two-dimensional systems and examine how their distance from the bound depends on the system geometry. The results for the high-density limit suggest that a finite system that comes as close as possible to the ultimate bound on the exchange-correlation energy has circular geometry and a weak confining potential with a negative curvature.
publishDate 2010
dc.date.none.fl_str_mv 2010-02
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/11336/124855
Räsänen, Esa; Pittalis, Stefano; Proetto, Cesar Ramon; Capelle, K.; On the lower bound on the exchange-correlation energy in two dimensions; Elsevier Science; Physica E; 42; 4; 2-2010; 1236-1238
1386-9477
CONICET Digital
CONICET
url http://hdl.handle.net/11336/124855
identifier_str_mv Räsänen, Esa; Pittalis, Stefano; Proetto, Cesar Ramon; Capelle, K.; On the lower bound on the exchange-correlation energy in two dimensions; Elsevier Science; Physica E; 42; 4; 2-2010; 1236-1238
1386-9477
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1386947709005621
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physe.2009.11.126
info:eu-repo/semantics/altIdentifier/arxiv/https://arxiv.org/abs/0909.0415
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
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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
_version_ 1848597466468843520
score 13.24909

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