Drawing information from the ground state G-particle-hole matrix to study electronic excited states

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Very recently, we have shown the suitability to combine the G-particle-hole Hypervirial (GHV) equation method (Alcoba et al. in Int J Quantum Chem 109:3178, 2009) with the Hermitian Operator (HO) method (Bouten et al. in Nucl Phys A 202:127, 1973) for computing various energy differences of an elect...

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Autores principales: Alcoba, Diego Ricardo, Oña, Ofelia Beatriz, Valdemoro, C., Tel, L. C., Massaccesi, Gustavo E.
Formato: Articulo
Lenguaje:Inglés
Publicado: 2012
Materias:
Física
Ciencias Exactas
G-particle-hole matrix
Reduced density matrix
Excited states
Electronic correlation effects
Hypervirial
Hermitian operator method
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/134804
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-134804
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Física
Ciencias Exactas
G-particle-hole matrix
Reduced density matrix
Excited states
Electronic correlation effects
Hypervirial
Hermitian operator method
spellingShingle Física
Ciencias Exactas
G-particle-hole matrix
Reduced density matrix
Excited states
Electronic correlation effects
Hypervirial
Hermitian operator method
Alcoba, Diego Ricardo
Oña, Ofelia Beatriz
Valdemoro, C.
Tel, L. C.
Massaccesi, Gustavo E.
Drawing information from the ground state G-particle-hole matrix to study electronic excited states
topic_facet Física
Ciencias Exactas
G-particle-hole matrix
Reduced density matrix
Excited states
Electronic correlation effects
Hypervirial
Hermitian operator method
description Very recently, we have shown the suitability to combine the G-particle-hole Hypervirial (GHV) equation method (Alcoba et al. in Int J Quantum Chem 109:3178, 2009) with the Hermitian Operator (HO) method (Bouten et al. in Nucl Phys A 202:127, 1973) for computing various energy differences of an electronic system spectrum (Valdemoro et al. in J Math Chem 50:492, 2012). The purpose of this paper is to extend our preliminary studies by applying the combined GHV-HO method to obtain the set of ground and low-lying excited states potential energy curves of several selected electronic systems. The calculations confirm the reliability of the method.
format Articulo
Articulo
author Alcoba, Diego Ricardo
Oña, Ofelia Beatriz
Valdemoro, C.
Tel, L. C.
Massaccesi, Gustavo E.
author_facet Alcoba, Diego Ricardo
Oña, Ofelia Beatriz
Valdemoro, C.
Tel, L. C.
Massaccesi, Gustavo E.
author_sort Alcoba, Diego Ricardo
title Drawing information from the ground state G-particle-hole matrix to study electronic excited states
title_short Drawing information from the ground state G-particle-hole matrix to study electronic excited states
title_full Drawing information from the ground state G-particle-hole matrix to study electronic excited states
title_fullStr Drawing information from the ground state G-particle-hole matrix to study electronic excited states
title_full_unstemmed Drawing information from the ground state G-particle-hole matrix to study electronic excited states
title_sort drawing information from the ground state g-particle-hole matrix to study electronic excited states
publishDate 2012
url http://sedici.unlp.edu.ar/handle/10915/134804
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AT massaccesigustavoe drawinginformationfromthegroundstategparticleholematrixtostudyelectronicexcitedstates
bdutipo_str Repositorios
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