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
Publicado: 2012
Materias:
Electron correlation
G-particle hole Hypervirial equation method
Hydrogen aggregates
Reduced density matrices theory
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_03010104_v399_n_p59_Valdemoro
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 paper:paper_03010104_v399_n_p59_Valdemoro
record_format dspace
spelling paper:paper_03010104_v399_n_p59_Valdemoro2023-06-08T15:27:50Z The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation 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. 2012 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_03010104_v399_n_p59_Valdemoro 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
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.
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
publishDate 2012
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_03010104_v399_n_p59_Valdemoro
http://hdl.handle.net/20.500.12110/paper_03010104_v399_n_p59_Valdemoro
_version_ 1768543133621026816

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