Discrete sets of Sturmian functions applied to two-electron atoms

Autores
Randazzo, Juan Martin; Frapiccini, Ana Laura; Colavecchia, Flavio Dario; Gasaneo, Gustavo
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We present a configuration-interaction (CI) method based on Sturmian functions. The components of this CI basis are the solutions of a two-body Sturmian eigenproblem, where the eigenvalues are related to the interacting potential in the two-body equation. Our method accommodates any arbitrary, physically sound, central potential in the Sturmian equations and different adequate asymptotic conditions. Computation of eigenvalues and eigenfunctions is performed by direct numerical discretization of the Sturmian equation. We apply this method to obtain bound states for two-electron systems. We show the convergence of the partial-wave expansion for the ground-states energies of the He atom and the H- ion, and obtain very accurate results that are compared with other recent CI calculations.
Fil: Randazzo, Juan Martin. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energí­a Atómica. Gerencia del Area Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Balseiro). División Colisiones Atómicas; Argentina
Fil: Frapiccini, Ana Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energí­a Atómica. Gerencia del Area Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Balseiro). División Colisiones Atómicas; Argentina
Fil: Colavecchia, Flavio Dario. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energí­a Atómica. Gerencia del Area Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Balseiro). División Colisiones Atómicas; Argentina
Fil: Gasaneo, Gustavo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Materia
Sturmians
Two-Electrons
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:11336/68872
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Discrete sets of Sturmian functions applied to two-electron atomsRandazzo, Juan MartinFrapiccini, Ana LauraColavecchia, Flavio DarioGasaneo, GustavoSturmiansTwo-Electronshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We present a configuration-interaction (CI) method based on Sturmian functions. The components of this CI basis are the solutions of a two-body Sturmian eigenproblem, where the eigenvalues are related to the interacting potential in the two-body equation. Our method accommodates any arbitrary, physically sound, central potential in the Sturmian equations and different adequate asymptotic conditions. Computation of eigenvalues and eigenfunctions is performed by direct numerical discretization of the Sturmian equation. We apply this method to obtain bound states for two-electron systems. We show the convergence of the partial-wave expansion for the ground-states energies of the He atom and the H- ion, and obtain very accurate results that are compared with other recent CI calculations.Fil: Randazzo, Juan Martin. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energí­a Atómica. Gerencia del Area Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Balseiro). División Colisiones Atómicas; ArgentinaFil: Frapiccini, Ana Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energí­a Atómica. Gerencia del Area Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Balseiro). División Colisiones Atómicas; ArgentinaFil: Colavecchia, Flavio Dario. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energí­a Atómica. Gerencia del Area Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Balseiro). División Colisiones Atómicas; ArgentinaFil: Gasaneo, Gustavo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaAmerican Physical Society2009-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/68872Randazzo, Juan Martin; Frapiccini, Ana Laura; Colavecchia, Flavio Dario; Gasaneo, Gustavo; Discrete sets of Sturmian functions applied to two-electron atoms; American Physical Society; Physical Review A: Atomic, Molecular and Optical Physics; 79; 2; 2-2009; 022507/1- 022507-91050-2947CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/pra/abstract/10.1103/PhysRevA.79.022507info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevA.79.022507info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:57:12Zoai:ri.conicet.gov.ar:11336/68872instacron: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 14:57:12.853CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Discrete sets of Sturmian functions applied to two-electron atoms
title Discrete sets of Sturmian functions applied to two-electron atoms
spellingShingle Discrete sets of Sturmian functions applied to two-electron atoms
Randazzo, Juan Martin
Sturmians
Two-Electrons
title_short Discrete sets of Sturmian functions applied to two-electron atoms
title_full Discrete sets of Sturmian functions applied to two-electron atoms
title_fullStr Discrete sets of Sturmian functions applied to two-electron atoms
title_full_unstemmed Discrete sets of Sturmian functions applied to two-electron atoms
title_sort Discrete sets of Sturmian functions applied to two-electron atoms
dc.creator.none.fl_str_mv Randazzo, Juan Martin
Frapiccini, Ana Laura
Colavecchia, Flavio Dario
Gasaneo, Gustavo
author Randazzo, Juan Martin
author_facet Randazzo, Juan Martin
Frapiccini, Ana Laura
Colavecchia, Flavio Dario
Gasaneo, Gustavo
author_role author
author2 Frapiccini, Ana Laura
Colavecchia, Flavio Dario
Gasaneo, Gustavo
author2_role author
author
author
dc.subject.none.fl_str_mv Sturmians
Two-Electrons
topic Sturmians
Two-Electrons
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 Sturmian functions. The components of this CI basis are the solutions of a two-body Sturmian eigenproblem, where the eigenvalues are related to the interacting potential in the two-body equation. Our method accommodates any arbitrary, physically sound, central potential in the Sturmian equations and different adequate asymptotic conditions. Computation of eigenvalues and eigenfunctions is performed by direct numerical discretization of the Sturmian equation. We apply this method to obtain bound states for two-electron systems. We show the convergence of the partial-wave expansion for the ground-states energies of the He atom and the H- ion, and obtain very accurate results that are compared with other recent CI calculations.
Fil: Randazzo, Juan Martin. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energí­a Atómica. Gerencia del Area Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Balseiro). División Colisiones Atómicas; Argentina
Fil: Frapiccini, Ana Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energí­a Atómica. Gerencia del Area Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Balseiro). División Colisiones Atómicas; Argentina
Fil: Colavecchia, Flavio Dario. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energí­a Atómica. Gerencia del Area Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Balseiro). División Colisiones Atómicas; Argentina
Fil: Gasaneo, Gustavo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
description We present a configuration-interaction (CI) method based on Sturmian functions. The components of this CI basis are the solutions of a two-body Sturmian eigenproblem, where the eigenvalues are related to the interacting potential in the two-body equation. Our method accommodates any arbitrary, physically sound, central potential in the Sturmian equations and different adequate asymptotic conditions. Computation of eigenvalues and eigenfunctions is performed by direct numerical discretization of the Sturmian equation. We apply this method to obtain bound states for two-electron systems. We show the convergence of the partial-wave expansion for the ground-states energies of the He atom and the H- ion, and obtain very accurate results that are compared with other recent CI calculations.
publishDate 2009
dc.date.none.fl_str_mv 2009-02
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/11336/68872
Randazzo, Juan Martin; Frapiccini, Ana Laura; Colavecchia, Flavio Dario; Gasaneo, Gustavo; Discrete sets of Sturmian functions applied to two-electron atoms; American Physical Society; Physical Review A: Atomic, Molecular and Optical Physics; 79; 2; 2-2009; 022507/1- 022507-9
1050-2947
CONICET Digital
CONICET
url http://hdl.handle.net/11336/68872
identifier_str_mv Randazzo, Juan Martin; Frapiccini, Ana Laura; Colavecchia, Flavio Dario; Gasaneo, Gustavo; Discrete sets of Sturmian functions applied to two-electron atoms; American Physical Society; Physical Review A: Atomic, Molecular and Optical Physics; 79; 2; 2-2009; 022507/1- 022507-9
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/url/https://journals.aps.org/pra/abstract/10.1103/PhysRevA.79.022507
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevA.79.022507
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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