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/11449/66327
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 1S e energy levels of the Li + 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 1S e energy levels of the Li + and we show that the precision can be improved in a systematic and controllable way. ©2000 The American Physical Society.Inst. de Quim. de Araraquara Universidade Estadual Paulista, Caixa Postal 355, 14 801-970 Araraquara, SPDepartment of Physics and Astronomy University of Nebraska 116 Brace Laboratory, Lincoln, NE 68 588-0111Inst. de Fis. de São Carlos Universidade de São Paulo, Caixa Postal 369, 13 560-970 São Carlos, SPInst. de Quim. de Araraquara Universidade Estadual Paulista, Caixa Postal 355, 14 801-970 Araraquara, SPUniversidade Estadual Paulista (Unesp)University of Nebraska–Lincoln (UNL)Universidade de São Paulo (USP)De Groote, J. J. [UNESP]Masili, MauroHornos, J. E.2014-05-27T11:19:59Z2014-05-27T11:19:59Z2000-12-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article1-9application/pdfhttp://dx.doi.org/10.1103/PhysRevA.62.032508Physical Review A - Atomic, Molecular, and Optical Physics, v. 62, n. 3, p. 1-9, 2000.1050-2947http://hdl.handle.net/11449/6632710.1103/PhysRevA.62.032508WOS:0000892554000352-s2.0-183443921382-s2.0-00342700712-s2.0-18344392138.pdfScopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengPhysical Review A: Atomic, Molecular, and Optical Physics1,288info:eu-repo/semantics/openAccess2024-01-14T06:17:25Zoai:repositorio.unesp.br:11449/66327Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-01-14T06:17:25Repositório 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)
University of Nebraska–Lincoln (UNL)
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 1S e energy levels of the Li + 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 2000-12-01
2014-05-27T11:19:59Z
2014-05-27T11:19:59Z
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. 1-9, 2000.
1050-2947
http://hdl.handle.net/11449/66327
10.1103/PhysRevA.62.032508
WOS:000089255400035
2-s2.0-18344392138
2-s2.0-0034270071
2-s2.0-18344392138.pdf
url http://dx.doi.org/10.1103/PhysRevA.62.032508
http://hdl.handle.net/11449/66327
identifier_str_mv Physical Review A - Atomic, Molecular, and Optical Physics, v. 62, n. 3, p. 1-9, 2000.
1050-2947
10.1103/PhysRevA.62.032508
WOS:000089255400035
2-s2.0-18344392138
2-s2.0-0034270071
2-s2.0-18344392138.pdf
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Physical Review A: Atomic, Molecular, and Optical Physics
1,288
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 1-9
application/pdf
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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