Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions

Autores
López Rosa, S.; Esquivel, R. O.; Plastino, Angel Ricardo; Dehesa, J. S.
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this work we have performed state-of-the-art configuration-interaction (CI) calculations to determine the linear and von Neumann entanglement entropies for the helium-like systems with varying nuclear charge Z in the range . The focus of the work resides on determining accurate entanglement values for 2-electron systems with the lowest computational cost through compact CI-wave functions. Our entanglement results for the helium atom fully agree with the results obtained with higher quality wave functions of the Kinoshita type (Dehesa [5]). We find that the correlation energy is linearly related to the entanglement measures associated with the linear and von Neumann entropies of the single-particle reduced density matrizes, which sheds new light on the physical implications of entanglement in helium-like systems. Moreover, we report CI-wave-function-based benchmark results for the entanglement values for all members of the helium isoelectronic series with an accuracy similar to that of Kinoshita-type wave functions. Finally, we give parametric expressions of the linear and von Neumann entanglement measures for two-electron systems as Z varies from 1 to 10.
Fil: López Rosa, S.. Universidad de Sevilla; España
Fil: Esquivel, R. O.. Universidad de Granada; España
Fil: Plastino, Angel Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia del Noroeste de la Provincia de Buenos Aires. Universidad Nacional del Noroeste de la Provincia de Buenos Aires. Centro de Investigaciones y Transferencia del Noroeste de la Provincia de Buenos Aires; Argentina
Fil: Dehesa, J. S.. Universidad de Granada; España
Materia
Energy Correlation Versus Entanglement
Linear Entanglement Entropy
Quantum Entanglement of Helium-Like Systems
Von Neumann Entanglement Entropy
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:11336/19937
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functionsLópez Rosa, S.Esquivel, R. O.Plastino, Angel RicardoDehesa, J. S.Energy Correlation Versus EntanglementLinear Entanglement EntropyQuantum Entanglement of Helium-Like SystemsVon Neumann Entanglement Entropyhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In this work we have performed state-of-the-art configuration-interaction (CI) calculations to determine the linear and von Neumann entanglement entropies for the helium-like systems with varying nuclear charge Z in the range . The focus of the work resides on determining accurate entanglement values for 2-electron systems with the lowest computational cost through compact CI-wave functions. Our entanglement results for the helium atom fully agree with the results obtained with higher quality wave functions of the Kinoshita type (Dehesa [5]). We find that the correlation energy is linearly related to the entanglement measures associated with the linear and von Neumann entropies of the single-particle reduced density matrizes, which sheds new light on the physical implications of entanglement in helium-like systems. Moreover, we report CI-wave-function-based benchmark results for the entanglement values for all members of the helium isoelectronic series with an accuracy similar to that of Kinoshita-type wave functions. Finally, we give parametric expressions of the linear and von Neumann entanglement measures for two-electron systems as Z varies from 1 to 10.Fil: López Rosa, S.. Universidad de Sevilla; EspañaFil: Esquivel, R. O.. Universidad de Granada; EspañaFil: Plastino, Angel Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia del Noroeste de la Provincia de Buenos Aires. Universidad Nacional del Noroeste de la Provincia de Buenos Aires. Centro de Investigaciones y Transferencia del Noroeste de la Provincia de Buenos Aires; ArgentinaFil: Dehesa, J. S.. Universidad de Granada; EspañaIop Publishing2015-07-17info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/19937López Rosa, S.; Esquivel, R. O.; Plastino, Angel Ricardo; Dehesa, J. S.; Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions; Iop Publishing; Journal of Physics B: Atomic, Molecular and Optical Physics; 48; 17; 17-7-20150953-4075CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1088/0953-4075/48/17/175002info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:58:12Zoai:ri.conicet.gov.ar:11336/19937instacron: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:34982025-09-03 09:58:12.403CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions
title Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions
spellingShingle Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions
López Rosa, S.
Energy Correlation Versus Entanglement
Linear Entanglement Entropy
Quantum Entanglement of Helium-Like Systems
Von Neumann Entanglement Entropy
title_short Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions
title_full Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions
title_fullStr Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions
title_full_unstemmed Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions
title_sort Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions
dc.creator.none.fl_str_mv López Rosa, S.
Esquivel, R. O.
Plastino, Angel Ricardo
Dehesa, J. S.
author López Rosa, S.
author_facet López Rosa, S.
Esquivel, R. O.
Plastino, Angel Ricardo
Dehesa, J. S.
author_role author
author2 Esquivel, R. O.
Plastino, Angel Ricardo
Dehesa, J. S.
author2_role author
author
author
dc.subject.none.fl_str_mv Energy Correlation Versus Entanglement
Linear Entanglement Entropy
Quantum Entanglement of Helium-Like Systems
Von Neumann Entanglement Entropy
topic Energy Correlation Versus Entanglement
Linear Entanglement Entropy
Quantum Entanglement of Helium-Like Systems
Von Neumann Entanglement Entropy
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this work we have performed state-of-the-art configuration-interaction (CI) calculations to determine the linear and von Neumann entanglement entropies for the helium-like systems with varying nuclear charge Z in the range . The focus of the work resides on determining accurate entanglement values for 2-electron systems with the lowest computational cost through compact CI-wave functions. Our entanglement results for the helium atom fully agree with the results obtained with higher quality wave functions of the Kinoshita type (Dehesa [5]). We find that the correlation energy is linearly related to the entanglement measures associated with the linear and von Neumann entropies of the single-particle reduced density matrizes, which sheds new light on the physical implications of entanglement in helium-like systems. Moreover, we report CI-wave-function-based benchmark results for the entanglement values for all members of the helium isoelectronic series with an accuracy similar to that of Kinoshita-type wave functions. Finally, we give parametric expressions of the linear and von Neumann entanglement measures for two-electron systems as Z varies from 1 to 10.
Fil: López Rosa, S.. Universidad de Sevilla; España
Fil: Esquivel, R. O.. Universidad de Granada; España
Fil: Plastino, Angel Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia del Noroeste de la Provincia de Buenos Aires. Universidad Nacional del Noroeste de la Provincia de Buenos Aires. Centro de Investigaciones y Transferencia del Noroeste de la Provincia de Buenos Aires; Argentina
Fil: Dehesa, J. S.. Universidad de Granada; España
description In this work we have performed state-of-the-art configuration-interaction (CI) calculations to determine the linear and von Neumann entanglement entropies for the helium-like systems with varying nuclear charge Z in the range . The focus of the work resides on determining accurate entanglement values for 2-electron systems with the lowest computational cost through compact CI-wave functions. Our entanglement results for the helium atom fully agree with the results obtained with higher quality wave functions of the Kinoshita type (Dehesa [5]). We find that the correlation energy is linearly related to the entanglement measures associated with the linear and von Neumann entropies of the single-particle reduced density matrizes, which sheds new light on the physical implications of entanglement in helium-like systems. Moreover, we report CI-wave-function-based benchmark results for the entanglement values for all members of the helium isoelectronic series with an accuracy similar to that of Kinoshita-type wave functions. Finally, we give parametric expressions of the linear and von Neumann entanglement measures for two-electron systems as Z varies from 1 to 10.
publishDate 2015
dc.date.none.fl_str_mv 2015-07-17
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/11336/19937
López Rosa, S.; Esquivel, R. O.; Plastino, Angel Ricardo; Dehesa, J. S.; Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions; Iop Publishing; Journal of Physics B: Atomic, Molecular and Optical Physics; 48; 17; 17-7-2015
0953-4075
CONICET Digital
CONICET
url http://hdl.handle.net/11336/19937
identifier_str_mv López Rosa, S.; Esquivel, R. O.; Plastino, Angel Ricardo; Dehesa, J. S.; Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions; Iop Publishing; Journal of Physics B: Atomic, Molecular and Optical Physics; 48; 17; 17-7-2015
0953-4075
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1088/0953-4075/48/17/175002
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 Iop Publishing
publisher.none.fl_str_mv Iop Publishing
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 13.13397

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