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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Autores principales: Alcoba, D.R., Bochicchio, R.C., Massacessi, G.E., Lain, L., Torre, A.
Formato: JOUR
Materias:
Electron density measurement
Problem solving
Statistical methods
Density matrix
Electron reduced density matrix
Electron systems
Electrons
Acceso en línea: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 todo:paper_10502947_v75_n1_p_Alcoba
record_format dspace
spelling todo:paper_10502947_v75_n1_p_Alcoba2023-10-03T15:59:52Z Grand-canonical-ensemble representability problem for the one-electron reduced density matrix Alcoba, D.R. Bochicchio, R.C. Massacessi, G.E. Lain, L. Torre, A. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar 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
Alcoba, D.R.
Bochicchio, R.C.
Massacessi, G.E.
Lain, L.
Torre, A.
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.
format JOUR
author Alcoba, D.R.
Bochicchio, R.C.
Massacessi, G.E.
Lain, L.
Torre, A.
author_facet Alcoba, D.R.
Bochicchio, R.C.
Massacessi, G.E.
Lain, L.
Torre, A.
author_sort Alcoba, D.R.
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
url http://hdl.handle.net/20.500.12110/paper_10502947_v75_n1_p_Alcoba
work_keys_str_mv AT alcobadr grandcanonicalensemblerepresentabilityproblemfortheoneelectronreduceddensitymatrix
AT bochicchiorc grandcanonicalensemblerepresentabilityproblemfortheoneelectronreduceddensitymatrix
AT massacessige grandcanonicalensemblerepresentabilityproblemfortheoneelectronreduceddensitymatrix
AT lainl grandcanonicalensemblerepresentabilityproblemfortheoneelectronreduceddensitymatrix
AT torrea grandcanonicalensemblerepresentabilityproblemfortheoneelectronreduceddensitymatrix
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