The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation

In this paper we report the results obtained when calculating the electronic structure of the H 4 molecular system within the framework of the G-particle-hole Hypervirial equation (GHV). This method determines directly the G-particle-hole matrix of the state considered without a previous knowledge o...

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Detalles Bibliográficos
Autores principales:	Valdemoro, C., Alcoba, D.R., Oña, O.B., Tel, L.M., Pérez-Romero, E., Oliva, J.M.
Formato:	JOUR
Materias:	Electron correlation G-particle hole Hypervirial equation method Hydrogen aggregates Reduced density matrices theory
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_03010104_v399_n_p59_Valdemoro
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	todo:paper_03010104_v399_n_p59_Valdemoro
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spelling	todo:paper_03010104_v399_n_p59_Valdemoro2023-10-03T15:18:15Z The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation Valdemoro, C. Alcoba, D.R. Oña, O.B. Tel, L.M. Pérez-Romero, E. Oliva, J.M. Electron correlation G-particle hole Hypervirial equation method Hydrogen aggregates Reduced density matrices theory In this paper we report the results obtained when calculating the electronic structure of the H 4 molecular system within the framework of the G-particle-hole Hypervirial equation (GHV). This method determines directly the G-particle-hole matrix of the state considered without a previous knowledge of the wave-function. Our primary aim is to compare the GHV performance with that of other standard ab initio methods having as ultimate reference the FCI results, when the system considered is strongly correlated. © 2011 Elsevier B.V. All rights reserved. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_03010104_v399_n_p59_Valdemoro
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 correlation G-particle hole Hypervirial equation method Hydrogen aggregates Reduced density matrices theory
spellingShingle	Electron correlation G-particle hole Hypervirial equation method Hydrogen aggregates Reduced density matrices theory Valdemoro, C. Alcoba, D.R. Oña, O.B. Tel, L.M. Pérez-Romero, E. Oliva, J.M. The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation
topic_facet	Electron correlation G-particle hole Hypervirial equation method Hydrogen aggregates Reduced density matrices theory
description	In this paper we report the results obtained when calculating the electronic structure of the H 4 molecular system within the framework of the G-particle-hole Hypervirial equation (GHV). This method determines directly the G-particle-hole matrix of the state considered without a previous knowledge of the wave-function. Our primary aim is to compare the GHV performance with that of other standard ab initio methods having as ultimate reference the FCI results, when the system considered is strongly correlated. © 2011 Elsevier B.V. All rights reserved.
format	JOUR
author	Valdemoro, C. Alcoba, D.R. Oña, O.B. Tel, L.M. Pérez-Romero, E. Oliva, J.M.
author_facet	Valdemoro, C. Alcoba, D.R. Oña, O.B. Tel, L.M. Pérez-Romero, E. Oliva, J.M.
author_sort	Valdemoro, C.
title	The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation
title_short	The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation
title_full	The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation
title_fullStr	The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation
title_full_unstemmed	The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation
title_sort	h 4 model revisited within the framework of the g-particle-hole hypervirial equation
url	http://hdl.handle.net/20.500.12110/paper_03010104_v399_n_p59_Valdemoro
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The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation

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