Structure of Fukui matrices

Fukui matrices considered as the generalization of the concept of Fukui densities are decomposed into their pairing and unpairing contributions within the theory of the reduced density matrices. Their algebraic structure become clear from this decomposition providing their relationships with the spi...

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Detalles Bibliográficos
Autor principal:	Bochicchio, R.C.
Formato:	JOUR
Materias:	Fukui matrices pairing densities reduced density matrices unpairing densities Correlation detectors Quantum theory Algebraic structures Correlation effect Cumulants Density matrix Physical meanings Second-order reduced density Spin densities State functions Matrix algebra
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00207608_v117_n22_p_Bochicchio
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	todo:paper_00207608_v117_n22_p_Bochicchio
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spelling	todo:paper_00207608_v117_n22_p_Bochicchio2023-10-03T14:18:46Z Structure of Fukui matrices Bochicchio, R.C. Fukui matrices pairing densities reduced density matrices unpairing densities Correlation detectors Quantum theory Algebraic structures Correlation effect Cumulants Density matrix Physical meanings Second-order reduced density Spin densities State functions Matrix algebra Fukui matrices considered as the generalization of the concept of Fukui densities are decomposed into their pairing and unpairing contributions within the theory of the reduced density matrices. Their algebraic structure become clear from this decomposition providing their relationships with the spin density matrices and the irreducible part of the second-order reduced density matrix cumulant, that is, the explicit contributions of the many-body or correlation effects. The uncorrelated state function approximation is a simple way to emphasize the physical meaning of these matrices and represents the appropriate starting point for the treatment of a quasi-analytical model to denote the occurrence of correlation effects. © 2017 Wiley Periodicals, Inc. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00207608_v117_n22_p_Bochicchio
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Fukui matrices pairing densities reduced density matrices unpairing densities Correlation detectors Quantum theory Algebraic structures Correlation effect Cumulants Density matrix Physical meanings Second-order reduced density Spin densities State functions Matrix algebra
spellingShingle	Fukui matrices pairing densities reduced density matrices unpairing densities Correlation detectors Quantum theory Algebraic structures Correlation effect Cumulants Density matrix Physical meanings Second-order reduced density Spin densities State functions Matrix algebra Bochicchio, R.C. Structure of Fukui matrices
topic_facet	Fukui matrices pairing densities reduced density matrices unpairing densities Correlation detectors Quantum theory Algebraic structures Correlation effect Cumulants Density matrix Physical meanings Second-order reduced density Spin densities State functions Matrix algebra
description	Fukui matrices considered as the generalization of the concept of Fukui densities are decomposed into their pairing and unpairing contributions within the theory of the reduced density matrices. Their algebraic structure become clear from this decomposition providing their relationships with the spin density matrices and the irreducible part of the second-order reduced density matrix cumulant, that is, the explicit contributions of the many-body or correlation effects. The uncorrelated state function approximation is a simple way to emphasize the physical meaning of these matrices and represents the appropriate starting point for the treatment of a quasi-analytical model to denote the occurrence of correlation effects. © 2017 Wiley Periodicals, Inc.
format	JOUR
author	Bochicchio, R.C.
author_facet	Bochicchio, R.C.
author_sort	Bochicchio, R.C.
title	Structure of Fukui matrices
title_short	Structure of Fukui matrices
title_full	Structure of Fukui matrices
title_fullStr	Structure of Fukui matrices
title_full_unstemmed	Structure of Fukui matrices
title_sort	structure of fukui matrices
url	http://hdl.handle.net/20.500.12110/paper_00207608_v117_n22_p_Bochicchio
work_keys_str_mv	AT bochicchiorc structureoffukuimatrices
_version_	1807315992768937984

Structure of Fukui matrices

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