A smooth path to plot hydrogen atom via Monte Carlo method

Detalhes bibliográficos
Autor(a) principal: Lobo,Pedro Henrique Fernandes
Data de Publicação: 2019
Outros Autores: Arashiro,Everaldo, Silva,Alcides Castro e, Pinheiro,Carlos Felipe Saraiva
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Revista Brasileira de Ensino de Física (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1806-11172019000400419
Resumo: Abstract In this paper, we show how to build a basic computer program using the Monte Carlo method to display the hydrogen atomic orbitals. For this, in a heuristic way, we applied a von Neumann acceptance-rejection method in simple problems of potential wells, and we end with the hydrogen orbitals representation. In this technique, we spread points uniformly on the 1D and 2D charts of probability density distributions, then we filtered points under these “curves or surfaces”, and we extended this logic to 3D cases. Throughout the work, we also made some comments to help beginner students better understand the term “wave function” present in the Schrödinger equation. Also, we made all source code available at a third-party platform, for any purpose under the MIT license.
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spelling A smooth path to plot hydrogen atom via Monte Carlo methodhydrogen atomquantum mechanicsMonte Carlo methodNeumann acceptance-rejection methodAbstract In this paper, we show how to build a basic computer program using the Monte Carlo method to display the hydrogen atomic orbitals. For this, in a heuristic way, we applied a von Neumann acceptance-rejection method in simple problems of potential wells, and we end with the hydrogen orbitals representation. In this technique, we spread points uniformly on the 1D and 2D charts of probability density distributions, then we filtered points under these “curves or surfaces”, and we extended this logic to 3D cases. Throughout the work, we also made some comments to help beginner students better understand the term “wave function” present in the Schrödinger equation. Also, we made all source code available at a third-party platform, for any purpose under the MIT license.Sociedade Brasileira de Física2019-01-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S1806-11172019000400419Revista Brasileira de Ensino de Física v.41 n.4 2019reponame:Revista Brasileira de Ensino de Física (Online)instname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/1806-9126-rbef-2019-0073info:eu-repo/semantics/openAccessLobo,Pedro Henrique FernandesArashiro,EveraldoSilva,Alcides Castro ePinheiro,Carlos Felipe Saraivaeng2019-07-19T00:00:00Zoai:scielo:S1806-11172019000400419Revistahttp://www.sbfisica.org.br/rbef/https://old.scielo.br/oai/scielo-oai.php||marcio@sbfisica.org.br1806-91261806-1117opendoar:2019-07-19T00:00Revista Brasileira de Ensino de Física (Online) - Sociedade Brasileira de Física (SBF)false
dc.title.none.fl_str_mv A smooth path to plot hydrogen atom via Monte Carlo method
title A smooth path to plot hydrogen atom via Monte Carlo method
spellingShingle A smooth path to plot hydrogen atom via Monte Carlo method
Lobo,Pedro Henrique Fernandes
hydrogen atom
quantum mechanics
Monte Carlo method
Neumann acceptance-rejection method
title_short A smooth path to plot hydrogen atom via Monte Carlo method
title_full A smooth path to plot hydrogen atom via Monte Carlo method
title_fullStr A smooth path to plot hydrogen atom via Monte Carlo method
title_full_unstemmed A smooth path to plot hydrogen atom via Monte Carlo method
title_sort A smooth path to plot hydrogen atom via Monte Carlo method
author Lobo,Pedro Henrique Fernandes
author_facet Lobo,Pedro Henrique Fernandes
Arashiro,Everaldo
Silva,Alcides Castro e
Pinheiro,Carlos Felipe Saraiva
author_role author
author2 Arashiro,Everaldo
Silva,Alcides Castro e
Pinheiro,Carlos Felipe Saraiva
author2_role author
author
author
dc.contributor.author.fl_str_mv Lobo,Pedro Henrique Fernandes
Arashiro,Everaldo
Silva,Alcides Castro e
Pinheiro,Carlos Felipe Saraiva
dc.subject.por.fl_str_mv hydrogen atom
quantum mechanics
Monte Carlo method
Neumann acceptance-rejection method
topic hydrogen atom
quantum mechanics
Monte Carlo method
Neumann acceptance-rejection method
description Abstract In this paper, we show how to build a basic computer program using the Monte Carlo method to display the hydrogen atomic orbitals. For this, in a heuristic way, we applied a von Neumann acceptance-rejection method in simple problems of potential wells, and we end with the hydrogen orbitals representation. In this technique, we spread points uniformly on the 1D and 2D charts of probability density distributions, then we filtered points under these “curves or surfaces”, and we extended this logic to 3D cases. Throughout the work, we also made some comments to help beginner students better understand the term “wave function” present in the Schrödinger equation. Also, we made all source code available at a third-party platform, for any purpose under the MIT license.
publishDate 2019
dc.date.none.fl_str_mv 2019-01-01
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=S1806-11172019000400419
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1806-11172019000400419
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/1806-9126-rbef-2019-0073
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 Física
publisher.none.fl_str_mv Sociedade Brasileira de Física
dc.source.none.fl_str_mv Revista Brasileira de Ensino de Física v.41 n.4 2019
reponame:Revista Brasileira de Ensino de Física (Online)
instname:Sociedade Brasileira de Física (SBF)
instacron:SBF
instname_str Sociedade Brasileira de Física (SBF)
instacron_str SBF
institution SBF
reponame_str Revista Brasileira de Ensino de Física (Online)
collection Revista Brasileira de Ensino de Física (Online)
repository.name.fl_str_mv Revista Brasileira de Ensino de Física (Online) - Sociedade Brasileira de Física (SBF)
repository.mail.fl_str_mv ||marcio@sbfisica.org.br
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