Energy dependence with the number of particles: Density and reduced density matrices functionals

dc.creatorMiranda Quintana, Ramón A.
dc.creatorBochicchio, Roberto Carlos
dc.date.accessioned2017-06-09T20:03:46Z
dc.date.accessioned2018-11-06T15:49:47Z
dc.date.available2017-06-09T20:03:46Z
dc.date.available2018-11-06T15:49:47Z
dc.date.created2017-06-09T20:03:46Z
dc.date.issued2014-02
dc.identifierMiranda 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.identifier0009-2614
dc.identifierhttp://hdl.handle.net/11336/17926
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1901608
dc.description.abstractThe 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.languageeng
dc.publisherElsevier Science
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.cplett.2013.12.071
dc.relationinfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0009261413015595?via%3Dihub
dc.rightshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectDENSITY FUNCTIONALS
dc.subjectNON INTERGER NUMBER BOF PARTICLES
dc.subjectREDUCED DENSITY MATRICES
dc.titleEnergy dependence with the number of particles: Density and reduced density matrices functionals
dc.typeArtículos de revistas
dc.typeArtículos de revistas
dc.typeArtículos de revistas


Este ítem pertenece a la siguiente institución