Analytical functions for the calculation of hyperspherical potential curves of atomic systems

Detalhes bibliográficos
Autor(a) principal: De Groote, J. J. [UNESP]
Data de Publicação: 2000
Outros Autores: Masili, Mauro, Hornos, J. E.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1103/PhysRevA.62.032508
http://hdl.handle.net/11449/220975
Resumo: We present angular basis functions for the Schrödinger equation of two-electron systems in hyperspherical coordinates. By using the hyperspherical adiabatic approach, the wave functions of two-electron systems are expanded in analytical functions, which generalizes the Jacobi polynomials. We show that these functions, obtained by selecting the diagonal terms of the angular equation, allow efficient diagonalization of the Hamiltonian for all values of the hyperspherical radius. The method is applied to the determination of the [Formula Presented] energy levels of the [Formula Presented] and we show that the precision can be improved in a systematic and controllable way. © 2000 The American Physical Society.
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spelling Analytical functions for the calculation of hyperspherical potential curves of atomic systemsWe present angular basis functions for the Schrödinger equation of two-electron systems in hyperspherical coordinates. By using the hyperspherical adiabatic approach, the wave functions of two-electron systems are expanded in analytical functions, which generalizes the Jacobi polynomials. We show that these functions, obtained by selecting the diagonal terms of the angular equation, allow efficient diagonalization of the Hamiltonian for all values of the hyperspherical radius. The method is applied to the determination of the [Formula Presented] energy levels of the [Formula Presented] and we show that the precision can be improved in a systematic and controllable way. © 2000 The American Physical Society.Instituto de Química de Araraquara Universidade Estadual Paulista, Caixa Postal 355, Araraquara, 14 801-970Department of Physics and Astronomy The University of Nebraska, 116 Brace Laboratory, NE, 588-0111Instituto de Física de São Carlos Universidade de São Paulo, Caixa Postal 369, São Carlos, 13 560-970Instituto de Química de Araraquara Universidade Estadual Paulista, Caixa Postal 355, Araraquara, 14 801-970Universidade Estadual Paulista (UNESP)The University of NebraskaUniversidade de São Paulo (USP)De Groote, J. J. [UNESP]Masili, MauroHornos, J. E.2022-04-28T19:07:09Z2022-04-28T19:07:09Z2000-01-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article9http://dx.doi.org/10.1103/PhysRevA.62.032508Physical Review A - Atomic, Molecular, and Optical Physics, v. 62, n. 3, p. 9-, 2000.1094-16221050-2947http://hdl.handle.net/11449/22097510.1103/PhysRevA.62.0325082-s2.0-85037233135Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengPhysical Review A - Atomic, Molecular, and Optical Physicsinfo:eu-repo/semantics/openAccess2022-04-28T19:07:09Zoai:repositorio.unesp.br:11449/220975Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462022-04-28T19:07:09Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Analytical functions for the calculation of hyperspherical potential curves of atomic systems
title Analytical functions for the calculation of hyperspherical potential curves of atomic systems
spellingShingle Analytical functions for the calculation of hyperspherical potential curves of atomic systems
De Groote, J. J. [UNESP]
title_short Analytical functions for the calculation of hyperspherical potential curves of atomic systems
title_full Analytical functions for the calculation of hyperspherical potential curves of atomic systems
title_fullStr Analytical functions for the calculation of hyperspherical potential curves of atomic systems
title_full_unstemmed Analytical functions for the calculation of hyperspherical potential curves of atomic systems
title_sort Analytical functions for the calculation of hyperspherical potential curves of atomic systems
author De Groote, J. J. [UNESP]
author_facet De Groote, J. J. [UNESP]
Masili, Mauro
Hornos, J. E.
author_role author
author2 Masili, Mauro
Hornos, J. E.
author2_role author
author
dc.contributor.none.fl_str_mv Universidade Estadual Paulista (UNESP)
The University of Nebraska
Universidade de São Paulo (USP)
dc.contributor.author.fl_str_mv De Groote, J. J. [UNESP]
Masili, Mauro
Hornos, J. E.
description We present angular basis functions for the Schrödinger equation of two-electron systems in hyperspherical coordinates. By using the hyperspherical adiabatic approach, the wave functions of two-electron systems are expanded in analytical functions, which generalizes the Jacobi polynomials. We show that these functions, obtained by selecting the diagonal terms of the angular equation, allow efficient diagonalization of the Hamiltonian for all values of the hyperspherical radius. The method is applied to the determination of the [Formula Presented] energy levels of the [Formula Presented] and we show that the precision can be improved in a systematic and controllable way. © 2000 The American Physical Society.
publishDate 2000
dc.date.none.fl_str_mv 2000-01-01
2022-04-28T19:07:09Z
2022-04-28T19:07:09Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1103/PhysRevA.62.032508
Physical Review A - Atomic, Molecular, and Optical Physics, v. 62, n. 3, p. 9-, 2000.
1094-1622
1050-2947
http://hdl.handle.net/11449/220975
10.1103/PhysRevA.62.032508
2-s2.0-85037233135
url http://dx.doi.org/10.1103/PhysRevA.62.032508
http://hdl.handle.net/11449/220975
identifier_str_mv Physical Review A - Atomic, Molecular, and Optical Physics, v. 62, n. 3, p. 9-, 2000.
1094-1622
1050-2947
10.1103/PhysRevA.62.032508
2-s2.0-85037233135
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Physical Review A - Atomic, Molecular, and Optical Physics
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 9
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv
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