Drawing information from the ground state G-particle-hole matrix to study electronic excited states
- Autores
- Alcoba, Diego Ricardo; Oña, Ofelia Beatriz; Valdemoro, C.; Tel, L. C.; Massaccesi, Gustavo E.
- Año de publicación
- 2012
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- 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.
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas - Materia
-
Física
Ciencias Exactas
G-particle-hole matrix
Reduced density matrix
Excited states
Electronic correlation effects
Hypervirial
Hermitian operator method - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by/4.0/
- Repositorio
.jpg)
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/134804
Ver los metadatos del registro completo
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Drawing information from the ground state G-particle-hole matrix to study electronic excited statesAlcoba, Diego RicardoOña, Ofelia BeatrizValdemoro, C.Tel, L. C.Massaccesi, Gustavo E.FísicaCiencias ExactasG-particle-hole matrixReduced density matrixExcited statesElectronic correlation effectsHypervirialHermitian operator methodVery 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.Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas2012-06-22info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf2478-2491http://sedici.unlp.edu.ar/handle/10915/134804enginfo:eu-repo/semantics/altIdentifier/issn/0259-9791info:eu-repo/semantics/altIdentifier/issn/1572-8897info:eu-repo/semantics/altIdentifier/doi/10.1007/s10910-012-0044-4info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:31:52Zoai:sedici.unlp.edu.ar:10915/134804Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:31:52.309SEDICI (UNLP) - Universidad Nacional de La Platafalse |
| dc.title.none.fl_str_mv |
Drawing information from the ground state G-particle-hole matrix to study electronic excited states |
| title |
Drawing information from the ground state G-particle-hole matrix to study electronic excited states |
| spellingShingle |
Drawing information from the ground state G-particle-hole matrix to study electronic excited states Alcoba, Diego Ricardo Física Ciencias Exactas G-particle-hole matrix Reduced density matrix Excited states Electronic correlation effects Hypervirial Hermitian operator method |
| 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 |
| dc.creator.none.fl_str_mv |
Alcoba, Diego Ricardo Oña, Ofelia Beatriz Valdemoro, C. Tel, L. C. Massaccesi, Gustavo E. |
| author |
Alcoba, Diego Ricardo |
| author_facet |
Alcoba, Diego Ricardo Oña, Ofelia Beatriz Valdemoro, C. Tel, L. C. Massaccesi, Gustavo E. |
| author_role |
author |
| author2 |
Oña, Ofelia Beatriz Valdemoro, C. Tel, L. C. Massaccesi, Gustavo E. |
| author2_role |
author author author author |
| dc.subject.none.fl_str_mv |
Física Ciencias Exactas G-particle-hole matrix Reduced density matrix Excited states Electronic correlation effects Hypervirial Hermitian operator method |
| topic |
Física Ciencias Exactas G-particle-hole matrix Reduced density matrix Excited states Electronic correlation effects Hypervirial Hermitian operator method |
| dc.description.none.fl_txt_mv |
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. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas |
| 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. |
| publishDate |
2012 |
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2012-06-22 |
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eng |
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