Ground state for two-electron and electron-muon three-body atomic systems

Autores
Rodriguez, Karina Viviana; Ancarani, L.U.; Gasaneo, Gustavo; Mitnik, Dario Marcelo
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this article, the angular correlated configuration interaction method previously introduced by some of the authors is extended to three-body atomic systems with general masses. A recently proposed angularly correlated basis set is used to construct ground state wave functions which: (i) satisfy exactly Kato cusp conditions atthe two-body coalescence points; (ii) have only linear coefficients; and (iii) show a fast convergency rate for the energy. The efficiency of the construction is illustrated by the study of the negatively charged hydrogen-like systems (∞H-, T-, D-, 1H-, and Mu-), neutral helium-like systems (e-e- ∞He +2,e-e- 4He+2, e -e- 3He+2, e-μ - ∞He+2, e-μ -4He+2, and e-μ- 3He+2), and positively charged lithium-like systems (e-e- ∞Li+3,e -e- 7Li+3, e-e - 6Li+3, e-μ- ∞Li+3, e-μ- 7Li+3, and e-μ- 6Li+3). The ground state energies and other mean values are compared with those given in the literature, when available. Wave functions with a moderate number of (20 maximum) linear coefficients are given explicitly; they are sufficiently simple and accurate to be used in practical calculations of atomic collision in which multidimensional integrations are involved.
Fil: Rodriguez, Karina Viviana. 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
Fil: Ancarani, L.U.. Universite Paul Verlaine–Metz,; Francia
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
Fil: Mitnik, Dario Marcelo. Consejo Nacional de Investigaciónes Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio. - Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Astronomía y Física del Espacio; Argentina
Materia
Muonium Ground State
Three-Body Systems
Variational Functions
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:11336/68619
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/68619
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Ground state for two-electron and electron-muon three-body atomic systemsRodriguez, Karina VivianaAncarani, L.U.Gasaneo, GustavoMitnik, Dario MarceloMuonium Ground StateThree-Body SystemsVariational Functionshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In this article, the angular correlated configuration interaction method previously introduced by some of the authors is extended to three-body atomic systems with general masses. A recently proposed angularly correlated basis set is used to construct ground state wave functions which: (i) satisfy exactly Kato cusp conditions atthe two-body coalescence points; (ii) have only linear coefficients; and (iii) show a fast convergency rate for the energy. The efficiency of the construction is illustrated by the study of the negatively charged hydrogen-like systems (∞H-, T-, D-, 1H-, and Mu-), neutral helium-like systems (e-e- ∞He +2,e-e- 4He+2, e -e- 3He+2, e-μ - ∞He+2, e-μ -4He+2, and e-μ- 3He+2), and positively charged lithium-like systems (e-e- ∞Li+3,e -e- 7Li+3, e-e - 6Li+3, e-μ- ∞Li+3, e-μ- 7Li+3, and e-μ- 6Li+3). The ground state energies and other mean values are compared with those given in the literature, when available. Wave functions with a moderate number of (20 maximum) linear coefficients are given explicitly; they are sufficiently simple and accurate to be used in practical calculations of atomic collision in which multidimensional integrations are involved.Fil: Rodriguez, Karina Viviana. 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; ArgentinaFil: Ancarani, L.U.. Universite Paul Verlaine–Metz,; FranciaFil: 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; ArgentinaFil: Mitnik, Dario Marcelo. Consejo Nacional de Investigaciónes Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio. - Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Astronomía y Física del Espacio; ArgentinaJohn Wiley & Sons Inc2010-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/68619Rodriguez, Karina Viviana; Ancarani, L.U.; Gasaneo, Gustavo; Mitnik, Dario Marcelo; Ground state for two-electron and electron-muon three-body atomic systems; John Wiley & Sons Inc; International Journal of Quantum Chemistry; 110; 10; 11-2010; 1820-18320020-76081097-461XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.22356info:eu-repo/semantics/altIdentifier/doi/10.1002/qua.22356info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:10:10Zoai:ri.conicet.gov.ar:11336/68619instacron: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:34982025-09-10 13:10:10.342CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Ground state for two-electron and electron-muon three-body atomic systems
title Ground state for two-electron and electron-muon three-body atomic systems
spellingShingle Ground state for two-electron and electron-muon three-body atomic systems
Rodriguez, Karina Viviana
Muonium Ground State
Three-Body Systems
Variational Functions
title_short Ground state for two-electron and electron-muon three-body atomic systems
title_full Ground state for two-electron and electron-muon three-body atomic systems
title_fullStr Ground state for two-electron and electron-muon three-body atomic systems
title_full_unstemmed Ground state for two-electron and electron-muon three-body atomic systems
title_sort Ground state for two-electron and electron-muon three-body atomic systems
dc.creator.none.fl_str_mv Rodriguez, Karina Viviana
Ancarani, L.U.
Gasaneo, Gustavo
Mitnik, Dario Marcelo
author Rodriguez, Karina Viviana
author_facet Rodriguez, Karina Viviana
Ancarani, L.U.
Gasaneo, Gustavo
Mitnik, Dario Marcelo
author_role author
author2 Ancarani, L.U.
Gasaneo, Gustavo
Mitnik, Dario Marcelo
author2_role author
author
author
dc.subject.none.fl_str_mv Muonium Ground State
Three-Body Systems
Variational Functions
topic Muonium Ground State
Three-Body Systems
Variational Functions
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this article, the angular correlated configuration interaction method previously introduced by some of the authors is extended to three-body atomic systems with general masses. A recently proposed angularly correlated basis set is used to construct ground state wave functions which: (i) satisfy exactly Kato cusp conditions atthe two-body coalescence points; (ii) have only linear coefficients; and (iii) show a fast convergency rate for the energy. The efficiency of the construction is illustrated by the study of the negatively charged hydrogen-like systems (∞H-, T-, D-, 1H-, and Mu-), neutral helium-like systems (e-e- ∞He +2,e-e- 4He+2, e -e- 3He+2, e-μ - ∞He+2, e-μ -4He+2, and e-μ- 3He+2), and positively charged lithium-like systems (e-e- ∞Li+3,e -e- 7Li+3, e-e - 6Li+3, e-μ- ∞Li+3, e-μ- 7Li+3, and e-μ- 6Li+3). The ground state energies and other mean values are compared with those given in the literature, when available. Wave functions with a moderate number of (20 maximum) linear coefficients are given explicitly; they are sufficiently simple and accurate to be used in practical calculations of atomic collision in which multidimensional integrations are involved.
Fil: Rodriguez, Karina Viviana. 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
Fil: Ancarani, L.U.. Universite Paul Verlaine–Metz,; Francia
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
Fil: Mitnik, Dario Marcelo. Consejo Nacional de Investigaciónes Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio. - Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Astronomía y Física del Espacio; Argentina
description In this article, the angular correlated configuration interaction method previously introduced by some of the authors is extended to three-body atomic systems with general masses. A recently proposed angularly correlated basis set is used to construct ground state wave functions which: (i) satisfy exactly Kato cusp conditions atthe two-body coalescence points; (ii) have only linear coefficients; and (iii) show a fast convergency rate for the energy. The efficiency of the construction is illustrated by the study of the negatively charged hydrogen-like systems (∞H-, T-, D-, 1H-, and Mu-), neutral helium-like systems (e-e- ∞He +2,e-e- 4He+2, e -e- 3He+2, e-μ - ∞He+2, e-μ -4He+2, and e-μ- 3He+2), and positively charged lithium-like systems (e-e- ∞Li+3,e -e- 7Li+3, e-e - 6Li+3, e-μ- ∞Li+3, e-μ- 7Li+3, and e-μ- 6Li+3). The ground state energies and other mean values are compared with those given in the literature, when available. Wave functions with a moderate number of (20 maximum) linear coefficients are given explicitly; they are sufficiently simple and accurate to be used in practical calculations of atomic collision in which multidimensional integrations are involved.
publishDate 2010
dc.date.none.fl_str_mv 2010-11
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/11336/68619
Rodriguez, Karina Viviana; Ancarani, L.U.; Gasaneo, Gustavo; Mitnik, Dario Marcelo; Ground state for two-electron and electron-muon three-body atomic systems; John Wiley & Sons Inc; International Journal of Quantum Chemistry; 110; 10; 11-2010; 1820-1832
0020-7608
1097-461X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/68619
identifier_str_mv Rodriguez, Karina Viviana; Ancarani, L.U.; Gasaneo, Gustavo; Mitnik, Dario Marcelo; Ground state for two-electron and electron-muon three-body atomic systems; John Wiley & Sons Inc; International Journal of Quantum Chemistry; 110; 10; 11-2010; 1820-1832
0020-7608
1097-461X
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://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.22356
info:eu-repo/semantics/altIdentifier/doi/10.1002/qua.22356
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 John Wiley & Sons Inc
publisher.none.fl_str_mv John Wiley & Sons Inc
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 12.993085

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