O MÉTODO DE HYLLERAAS PARA ÁTOMOS DE DOIS ELÉTRONS

Detalhes bibliográficos
Autor(a) principal: Carvalho,Felipe S.
Data de Publicação: 2017
Outros Autores: Braga,João P.
Tipo de documento: Artigo
Idioma: por
Título da fonte: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422017001001259
Resumo: The quantum mechanics of two electrons atoms, as suggested by E. A. Hylleraas in the period between 1928-1930, is discussed in the present work. Hylleraas introduced explicit correlations in the wavefunction by treating the coordinates between the electrons as an independent variable of the problem, an approach that gives very precise energy values. Solution of the problem is given for one, two, three and six basis functions, as in the original work. The solution is also carried out with 140 basis functions, showing that the energy for two electron atoms can be calculated with seven significant figures. Numerical methods presented here are accessible to undergraduated level students.
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spelling O MÉTODO DE HYLLERAAS PARA ÁTOMOS DE DOIS ELÉTRONSHylleraas methodtwo-electrons atomelectronic correlationThe quantum mechanics of two electrons atoms, as suggested by E. A. Hylleraas in the period between 1928-1930, is discussed in the present work. Hylleraas introduced explicit correlations in the wavefunction by treating the coordinates between the electrons as an independent variable of the problem, an approach that gives very precise energy values. Solution of the problem is given for one, two, three and six basis functions, as in the original work. The solution is also carried out with 140 basis functions, showing that the energy for two electron atoms can be calculated with seven significant figures. Numerical methods presented here are accessible to undergraduated level students.Sociedade Brasileira de Química2017-10-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422017001001259Química Nova v.40 n.10 2017reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0100-4042.20170125info:eu-repo/semantics/openAccessCarvalho,Felipe S.Braga,João P.por2017-12-22T00:00:00Zoai:scielo:S0100-40422017001001259Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2017-12-22T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv O MÉTODO DE HYLLERAAS PARA ÁTOMOS DE DOIS ELÉTRONS
title O MÉTODO DE HYLLERAAS PARA ÁTOMOS DE DOIS ELÉTRONS
spellingShingle O MÉTODO DE HYLLERAAS PARA ÁTOMOS DE DOIS ELÉTRONS
Carvalho,Felipe S.
Hylleraas method
two-electrons atom
electronic correlation
title_short O MÉTODO DE HYLLERAAS PARA ÁTOMOS DE DOIS ELÉTRONS
title_full O MÉTODO DE HYLLERAAS PARA ÁTOMOS DE DOIS ELÉTRONS
title_fullStr O MÉTODO DE HYLLERAAS PARA ÁTOMOS DE DOIS ELÉTRONS
title_full_unstemmed O MÉTODO DE HYLLERAAS PARA ÁTOMOS DE DOIS ELÉTRONS
title_sort O MÉTODO DE HYLLERAAS PARA ÁTOMOS DE DOIS ELÉTRONS
author Carvalho,Felipe S.
author_facet Carvalho,Felipe S.
Braga,João P.
author_role author
author2 Braga,João P.
author2_role author
dc.contributor.author.fl_str_mv Carvalho,Felipe S.
Braga,João P.
dc.subject.por.fl_str_mv Hylleraas method
two-electrons atom
electronic correlation
topic Hylleraas method
two-electrons atom
electronic correlation
description The quantum mechanics of two electrons atoms, as suggested by E. A. Hylleraas in the period between 1928-1930, is discussed in the present work. Hylleraas introduced explicit correlations in the wavefunction by treating the coordinates between the electrons as an independent variable of the problem, an approach that gives very precise energy values. Solution of the problem is given for one, two, three and six basis functions, as in the original work. The solution is also carried out with 140 basis functions, showing that the energy for two electron atoms can be calculated with seven significant figures. Numerical methods presented here are accessible to undergraduated level students.
publishDate 2017
dc.date.none.fl_str_mv 2017-10-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422017001001259
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422017001001259
dc.language.iso.fl_str_mv por
language por
dc.relation.none.fl_str_mv 10.21577/0100-4042.20170125
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Química Nova v.40 n.10 2017
reponame:Química Nova (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Química Nova (Online)
collection Química Nova (Online)
repository.name.fl_str_mv Química Nova (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv quimicanova@sbq.org.br
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