Sturmian expansions for two-electron atomic systems: Singly and doubly excited states

Autores
Frapiccini, Ana Laura; Randazzo, Juan Martin; Gasaneo, Gustavo; Colavecchia, Flavio Dario
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We present a configuration interaction (CI) method based on the Sturmian expansion for bound states of a two-electron atomic system. These Sturmian functions are solutions of one-electron quantum mechanical problems, where the eigenvalue is the magnitude of a short-range potential. Also, they fulfill the long-range boundary conditions of Coulomb potentials. We choose to expand the Sturmians of the CI basis using L2 Laguerre-type functions. We compute ground and single-excited states energies for He and H. Moreover, we are able to obtain energies and widths of double excited states of He, using a Sturmian basis with outgoing boundary conditions. In all cases, our ansatz outperforms other CI calculations, for similar basis size. © 2010 The American Physical Society.
Fil: Frapiccini, Ana Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Randazzo, Juan Martin. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Gasaneo, Gustavo. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Sur. Departamento de Física; Argentina
Fil: Colavecchia, Flavio Dario. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Materia
Excites states
Sturmian functions
He atom
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/67785
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/67785
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network_name_str CONICET Digital (CONICET)
spelling Sturmian expansions for two-electron atomic systems: Singly and doubly excited statesFrapiccini, Ana LauraRandazzo, Juan MartinGasaneo, GustavoColavecchia, Flavio DarioExcites statesSturmian functionsHe atomhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We present a configuration interaction (CI) method based on the Sturmian expansion for bound states of a two-electron atomic system. These Sturmian functions are solutions of one-electron quantum mechanical problems, where the eigenvalue is the magnitude of a short-range potential. Also, they fulfill the long-range boundary conditions of Coulomb potentials. We choose to expand the Sturmians of the CI basis using L2 Laguerre-type functions. We compute ground and single-excited states energies for He and H. Moreover, we are able to obtain energies and widths of double excited states of He, using a Sturmian basis with outgoing boundary conditions. In all cases, our ansatz outperforms other CI calculations, for similar basis size. © 2010 The American Physical Society.Fil: Frapiccini, Ana Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaFil: Randazzo, Juan Martin. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaFil: Gasaneo, Gustavo. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Sur. Departamento de Física; ArgentinaFil: Colavecchia, Flavio Dario. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaAmerican Physical Society2010-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/67785Frapiccini, Ana Laura; Randazzo, Juan Martin; Gasaneo, Gustavo; Colavecchia, Flavio Dario; Sturmian expansions for two-electron atomic systems: Singly and doubly excited states; American Physical Society; Physical Review A: Atomic, Molecular and Optical Physics; 82; 4; 10-2010; 1-91050-2947CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevA.82.042503info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/pra/abstract/10.1103/PhysRevA.82.042503info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:35:26Zoai:ri.conicet.gov.ar:11336/67785instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-15 15:35:26.987CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Sturmian expansions for two-electron atomic systems: Singly and doubly excited states
title Sturmian expansions for two-electron atomic systems: Singly and doubly excited states
spellingShingle Sturmian expansions for two-electron atomic systems: Singly and doubly excited states
Frapiccini, Ana Laura
Excites states
Sturmian functions
He atom
title_short Sturmian expansions for two-electron atomic systems: Singly and doubly excited states
title_full Sturmian expansions for two-electron atomic systems: Singly and doubly excited states
title_fullStr Sturmian expansions for two-electron atomic systems: Singly and doubly excited states
title_full_unstemmed Sturmian expansions for two-electron atomic systems: Singly and doubly excited states
title_sort Sturmian expansions for two-electron atomic systems: Singly and doubly excited states
dc.creator.none.fl_str_mv Frapiccini, Ana Laura
Randazzo, Juan Martin
Gasaneo, Gustavo
Colavecchia, Flavio Dario
author Frapiccini, Ana Laura
author_facet Frapiccini, Ana Laura
Randazzo, Juan Martin
Gasaneo, Gustavo
Colavecchia, Flavio Dario
author_role author
author2 Randazzo, Juan Martin
Gasaneo, Gustavo
Colavecchia, Flavio Dario
author2_role author
author
author
dc.subject.none.fl_str_mv Excites states
Sturmian functions
He atom
topic Excites states
Sturmian functions
He atom
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We present a configuration interaction (CI) method based on the Sturmian expansion for bound states of a two-electron atomic system. These Sturmian functions are solutions of one-electron quantum mechanical problems, where the eigenvalue is the magnitude of a short-range potential. Also, they fulfill the long-range boundary conditions of Coulomb potentials. We choose to expand the Sturmians of the CI basis using L2 Laguerre-type functions. We compute ground and single-excited states energies for He and H. Moreover, we are able to obtain energies and widths of double excited states of He, using a Sturmian basis with outgoing boundary conditions. In all cases, our ansatz outperforms other CI calculations, for similar basis size. © 2010 The American Physical Society.
Fil: Frapiccini, Ana Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Randazzo, Juan Martin. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Gasaneo, Gustavo. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Sur. Departamento de Física; Argentina
Fil: Colavecchia, Flavio Dario. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
description We present a configuration interaction (CI) method based on the Sturmian expansion for bound states of a two-electron atomic system. These Sturmian functions are solutions of one-electron quantum mechanical problems, where the eigenvalue is the magnitude of a short-range potential. Also, they fulfill the long-range boundary conditions of Coulomb potentials. We choose to expand the Sturmians of the CI basis using L2 Laguerre-type functions. We compute ground and single-excited states energies for He and H. Moreover, we are able to obtain energies and widths of double excited states of He, using a Sturmian basis with outgoing boundary conditions. In all cases, our ansatz outperforms other CI calculations, for similar basis size. © 2010 The American Physical Society.
publishDate 2010
dc.date.none.fl_str_mv 2010-10
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/67785
Frapiccini, Ana Laura; Randazzo, Juan Martin; Gasaneo, Gustavo; Colavecchia, Flavio Dario; Sturmian expansions for two-electron atomic systems: Singly and doubly excited states; American Physical Society; Physical Review A: Atomic, Molecular and Optical Physics; 82; 4; 10-2010; 1-9
1050-2947
CONICET Digital
CONICET
url http://hdl.handle.net/11336/67785
identifier_str_mv Frapiccini, Ana Laura; Randazzo, Juan Martin; Gasaneo, Gustavo; Colavecchia, Flavio Dario; Sturmian expansions for two-electron atomic systems: Singly and doubly excited states; American Physical Society; Physical Review A: Atomic, Molecular and Optical Physics; 82; 4; 10-2010; 1-9
1050-2947
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevA.82.042503
info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/pra/abstract/10.1103/PhysRevA.82.042503
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.22299

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