A smooth path to plot hydrogen atom via Monte Carlo method
Autor(a) principal: | |
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Data de Publicação: | 2019 |
Outros Autores: | , , |
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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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 |
_version_ |
1752122424356241408 |