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dc.contributor.author
López Rosa, S.  
dc.contributor.author
Esquivel, R. O.  
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Plastino, Angel Ricardo  
dc.contributor.author
Dehesa, J. S.  
dc.date.available
2017-07-07T21:10:11Z  
dc.date.issued
2015-07-17  
dc.identifier.citation
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  
dc.identifier.issn
0953-4075  
dc.identifier.uri
http://hdl.handle.net/11336/19937  
dc.description.abstract
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.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Iop Publishing  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
Energy Correlation Versus Entanglement  
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Linear Entanglement Entropy  
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Quantum Entanglement of Helium-Like Systems  
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Von Neumann Entanglement Entropy  
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Física Atómica, Molecular y Química  
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Ciencias Físicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Quantum entanglement of helium-like systems with varying-Z: Compact state-of-the-art CI wave functions  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2017-05-08T17:16:05Z  
dc.journal.volume
48  
dc.journal.number
17  
dc.journal.pais
Reino Unido  
dc.description.fil
Fil: López Rosa, S.. Universidad de Sevilla; España  
dc.description.fil
Fil: Esquivel, R. O.. Universidad de Granada; España  
dc.description.fil
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  
dc.description.fil
Fil: Dehesa, J. S.. Universidad de Granada; España  
dc.journal.title
Journal of Physics B: Atomic, Molecular and Optical Physics  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1088/0953-4075/48/17/175002