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dc.contributor.author
Miranda Quintana, Ramón A.  
dc.contributor.author
Bochicchio, Roberto Carlos  
dc.date.available
2017-06-09T20:03:46Z  
dc.date.issued
2014-02  
dc.identifier.citation
Miranda Quintana, Ramón A.; Bochicchio, Roberto Carlos; Energy dependence with the number of particles: Density and reduced density matrices functionals; Elsevier Science; Chemical Physics Letters; 593; 2-2014; 35-39  
dc.identifier.issn
0009-2614  
dc.identifier.uri
http://hdl.handle.net/11336/17926  
dc.description.abstract
The energy of a physical domain within a molecular system considered as a quantum open system is analyzed as a functional of the electron distribution dependence with the number of particles. Our attention is focused upon the constrained-search functionals of the electron density, the 1- and 2-reduced density matrices (1-, 2-RDMs) for grand-canonical states. It is shown that functionals of the 2-RDM depend on the number of particles if the ground state energy is not a convex function of them.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Elsevier Science  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/  
dc.subject
Density Functionals  
dc.subject
Non Interger Number Bof Particles  
dc.subject
Reduced Density Matrices  
dc.subject.classification
Física Atómica, Molecular y Química  
dc.subject.classification
Ciencias Físicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Energy dependence with the number of particles: Density and reduced density matrices functionals  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2017-06-09T14:15:27Z  
dc.journal.volume
593  
dc.journal.pagination
35-39  
dc.journal.pais
Países Bajos  
dc.journal.ciudad
Amsterdam  
dc.description.fil
Fil: Miranda Quintana, Ramón A.. Universidad de la Habana; Cuba  
dc.description.fil
Fil: Bochicchio, Roberto Carlos. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina  
dc.journal.title
Chemical Physics Letters  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.cplett.2013.12.071  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0009261413015595?via%3Dihub  

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