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

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-reduc...

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Autor principal:	Bochicchio, Roberto Carlos
Publicado:	2014
Materias:	Convex functions Density matrix Electron distributions Energy dependence Ground-state energies Molecular systems Physical domain Quantum open systems Functions Quantum theory
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v593_n_p35_MirandaQuintana http://hdl.handle.net/20.500.12110/paper_00092614_v593_n_p35_MirandaQuintana
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_00092614_v593_n_p35_MirandaQuintana
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spelling	paper:paper_00092614_v593_n_p35_MirandaQuintana2023-06-08T14:33:55Z Energy dependence with the number of particles: Density and reduced density matrices functionals Bochicchio, Roberto Carlos Convex functions Density matrix Electron distributions Energy dependence Ground-state energies Molecular systems Physical domain Quantum open systems Functions Quantum theory 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. © 2014 Elsevier B.V. All rights reserved. Fil:Bochicchio, R.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2014 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v593_n_p35_MirandaQuintana http://hdl.handle.net/20.500.12110/paper_00092614_v593_n_p35_MirandaQuintana
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Convex functions Density matrix Electron distributions Energy dependence Ground-state energies Molecular systems Physical domain Quantum open systems Functions Quantum theory
spellingShingle	Convex functions Density matrix Electron distributions Energy dependence Ground-state energies Molecular systems Physical domain Quantum open systems Functions Quantum theory Bochicchio, Roberto Carlos Energy dependence with the number of particles: Density and reduced density matrices functionals
topic_facet	Convex functions Density matrix Electron distributions Energy dependence Ground-state energies Molecular systems Physical domain Quantum open systems Functions Quantum theory
description	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. © 2014 Elsevier B.V. All rights reserved.
author	Bochicchio, Roberto Carlos
author_facet	Bochicchio, Roberto Carlos
author_sort	Bochicchio, Roberto Carlos
title	Energy dependence with the number of particles: Density and reduced density matrices functionals
title_short	Energy dependence with the number of particles: Density and reduced density matrices functionals
title_full	Energy dependence with the number of particles: Density and reduced density matrices functionals
title_fullStr	Energy dependence with the number of particles: Density and reduced density matrices functionals
title_full_unstemmed	Energy dependence with the number of particles: Density and reduced density matrices functionals
title_sort	energy dependence with the number of particles: density and reduced density matrices functionals
publishDate	2014
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v593_n_p35_MirandaQuintana http://hdl.handle.net/20.500.12110/paper_00092614_v593_n_p35_MirandaQuintana
work_keys_str_mv	AT bochicchiorobertocarlos energydependencewiththenumberofparticlesdensityandreduceddensitymatricesfunctionals
_version_	1768544021742878720

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

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