On the definition of the effectively unpaired electron density matrix: A similarity measure approach

Mostrar todas las versiones(2)

The mathematical concepts of similarity and distance in metric spaces are used to relate Takatsuka et al. and Head-Gordon definitions of the effectively unpaired electron density matrix. This approach opens the possibility of new suitable definitions of this quantity to given purposes. © 2006 Elsevi...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autor principal:	Bochicchio, Roberto Carlos
Publicado:	2006
Materias:	Carrier concentration Chemical engineering Correlation methods Mathematical models Numerical analysis Electron density matrix Head-Gordon definitions Mathematical concepts Physical chemistry
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v429_n1-3_p286_Alcoba http://hdl.handle.net/20.500.12110/paper_00092614_v429_n1-3_p286_Alcoba
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_00092614_v429_n1-3_p286_Alcoba
record_format	dspace
spelling	paper:paper_00092614_v429_n1-3_p286_Alcoba2023-06-08T14:33:49Z On the definition of the effectively unpaired electron density matrix: A similarity measure approach Bochicchio, Roberto Carlos Carrier concentration Chemical engineering Correlation methods Mathematical models Numerical analysis Electron density matrix Head-Gordon definitions Mathematical concepts Physical chemistry The mathematical concepts of similarity and distance in metric spaces are used to relate Takatsuka et al. and Head-Gordon definitions of the effectively unpaired electron density matrix. This approach opens the possibility of new suitable definitions of this quantity to given purposes. © 2006 Elsevier B.V. All rights reserved. Fil:Bochicchio, R.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2006 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v429_n1-3_p286_Alcoba http://hdl.handle.net/20.500.12110/paper_00092614_v429_n1-3_p286_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	Carrier concentration Chemical engineering Correlation methods Mathematical models Numerical analysis Electron density matrix Head-Gordon definitions Mathematical concepts Physical chemistry
spellingShingle	Carrier concentration Chemical engineering Correlation methods Mathematical models Numerical analysis Electron density matrix Head-Gordon definitions Mathematical concepts Physical chemistry Bochicchio, Roberto Carlos On the definition of the effectively unpaired electron density matrix: A similarity measure approach
topic_facet	Carrier concentration Chemical engineering Correlation methods Mathematical models Numerical analysis Electron density matrix Head-Gordon definitions Mathematical concepts Physical chemistry
description	The mathematical concepts of similarity and distance in metric spaces are used to relate Takatsuka et al. and Head-Gordon definitions of the effectively unpaired electron density matrix. This approach opens the possibility of new suitable definitions of this quantity to given purposes. © 2006 Elsevier B.V. All rights reserved.
author	Bochicchio, Roberto Carlos
author_facet	Bochicchio, Roberto Carlos
author_sort	Bochicchio, Roberto Carlos
title	On the definition of the effectively unpaired electron density matrix: A similarity measure approach
title_short	On the definition of the effectively unpaired electron density matrix: A similarity measure approach
title_full	On the definition of the effectively unpaired electron density matrix: A similarity measure approach
title_fullStr	On the definition of the effectively unpaired electron density matrix: A similarity measure approach
title_full_unstemmed	On the definition of the effectively unpaired electron density matrix: A similarity measure approach
title_sort	on the definition of the effectively unpaired electron density matrix: a similarity measure approach
publishDate	2006
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v429_n1-3_p286_Alcoba http://hdl.handle.net/20.500.12110/paper_00092614_v429_n1-3_p286_Alcoba
work_keys_str_mv	AT bochicchiorobertocarlos onthedefinitionoftheeffectivelyunpairedelectrondensitymatrixasimilaritymeasureapproach
_version_	1768542110240210944

On the definition of the effectively unpaired electron density matrix: A similarity measure approach

Ejemplares similares