Grand-canonical-ensemble representability problem for the one-electron reduced density matrix

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We deal with many-electron systems having a noninteger number of electrons, which cannot be described properly by means of pure states or by canonical statistical ensemble states. The study of the one-electron reduced density matrix for these systems raises the problem of its representability in sta...

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Autor principal: Bochicchio, Roberto Carlos
Publicado: 2007
Materias:
Electron density measurement
Problem solving
Statistical methods
Density matrix
Electron reduced density matrix
Electron systems
Electrons
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v75_n1_p_Alcoba
http://hdl.handle.net/20.500.12110/paper_10502947_v75_n1_p_Alcoba
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_10502947_v75_n1_p_Alcoba
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spelling paper:paper_10502947_v75_n1_p_Alcoba2025-07-30T18:38:20Z Grand-canonical-ensemble representability problem for the one-electron reduced density matrix Bochicchio, Roberto Carlos Electron density measurement Problem solving Statistical methods Density matrix Electron reduced density matrix Electron systems Electrons We deal with many-electron systems having a noninteger number of electrons, which cannot be described properly by means of pure states or by canonical statistical ensemble states. The study of the one-electron reduced density matrix for these systems raises the problem of its representability in statistical ensembles of grand canonical type. We derive the necessary and sufficient conditions for the representability of the one-electron reduced density matrix of grand-canonical statistical ensembles. © 2007 The American Physical Society. Fil:Bochicchio, R.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2007 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v75_n1_p_Alcoba http://hdl.handle.net/20.500.12110/paper_10502947_v75_n1_p_Alcoba
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Electron density measurement
Problem solving
Statistical methods
Density matrix
Electron reduced density matrix
Electron systems
Electrons
spellingShingle Electron density measurement
Problem solving
Statistical methods
Density matrix
Electron reduced density matrix
Electron systems
Electrons
Bochicchio, Roberto Carlos
Grand-canonical-ensemble representability problem for the one-electron reduced density matrix
topic_facet Electron density measurement
Problem solving
Statistical methods
Density matrix
Electron reduced density matrix
Electron systems
Electrons
description We deal with many-electron systems having a noninteger number of electrons, which cannot be described properly by means of pure states or by canonical statistical ensemble states. The study of the one-electron reduced density matrix for these systems raises the problem of its representability in statistical ensembles of grand canonical type. We derive the necessary and sufficient conditions for the representability of the one-electron reduced density matrix of grand-canonical statistical ensembles. © 2007 The American Physical Society.
author Bochicchio, Roberto Carlos
author_facet Bochicchio, Roberto Carlos
author_sort Bochicchio, Roberto Carlos
title Grand-canonical-ensemble representability problem for the one-electron reduced density matrix
title_short Grand-canonical-ensemble representability problem for the one-electron reduced density matrix
title_full Grand-canonical-ensemble representability problem for the one-electron reduced density matrix
title_fullStr Grand-canonical-ensemble representability problem for the one-electron reduced density matrix
title_full_unstemmed Grand-canonical-ensemble representability problem for the one-electron reduced density matrix
title_sort grand-canonical-ensemble representability problem for the one-electron reduced density matrix
publishDate 2007
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v75_n1_p_Alcoba
http://hdl.handle.net/20.500.12110/paper_10502947_v75_n1_p_Alcoba
work_keys_str_mv AT bochicchiorobertocarlos grandcanonicalensemblerepresentabilityproblemfortheoneelectronreduceddensitymatrix
_version_ 1840326350892695552

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