Vibrational ground state energy for confined molecules

Detalhes bibliográficos
Autor(a) principal: Filho, Elso Drigo [UNESP]
Data de Publicação: 2019
Outros Autores: Silva, Josimar Fernando Da [UNESP]
Tipo de documento: Artigo de conferência
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1088/1742-6596/1194/1/012029
http://hdl.handle.net/11449/190326
Resumo: The ground state vibrational energies for three confined diatomic molecules (nitrogen, lithium and NaH) are determined by using the variational method. The approach proposed allows us to build trial eigenfunctions based on wave functions obtained from the supersymmetric quantum mechanics formalism. The Morse potential is used to simulate the molecular bound and the confinement is analyzed by introducing two barriers with the minimum of the potential inside this region. The methodology adopted was successfully used previously to describe the hydrogen molecule. The conclusion from these results is that the approach can be extended for other diatomic molecules.
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spelling Vibrational ground state energy for confined moleculesThe ground state vibrational energies for three confined diatomic molecules (nitrogen, lithium and NaH) are determined by using the variational method. The approach proposed allows us to build trial eigenfunctions based on wave functions obtained from the supersymmetric quantum mechanics formalism. The Morse potential is used to simulate the molecular bound and the confinement is analyzed by introducing two barriers with the minimum of the potential inside this region. The methodology adopted was successfully used previously to describe the hydrogen molecule. The conclusion from these results is that the approach can be extended for other diatomic molecules.Universidade Estadual Paulista (UNESP) Instituto de Biociencias Letras e Ciencias Exatas Campus Sao Jose Do Rio PretoUniversidade Estadual Paulista (UNESP) Instituto de Biociencias Letras e Ciencias Exatas Campus Sao Jose Do Rio PretoUniversidade Estadual Paulista (Unesp)Filho, Elso Drigo [UNESP]Silva, Josimar Fernando Da [UNESP]2019-10-06T17:09:34Z2019-10-06T17:09:34Z2019-04-24info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/conferenceObjecthttp://dx.doi.org/10.1088/1742-6596/1194/1/012029Journal of Physics: Conference Series, v. 1194, n. 1, 2019.1742-65961742-6588http://hdl.handle.net/11449/19032610.1088/1742-6596/1194/1/0120292-s2.0-8506556060632779574132915670000-0001-6536-4153Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengJournal of Physics: Conference Seriesinfo:eu-repo/semantics/openAccess2021-10-23T19:02:02Zoai:repositorio.unesp.br:11449/190326Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T18:47:59.444586Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Vibrational ground state energy for confined molecules
title Vibrational ground state energy for confined molecules
spellingShingle Vibrational ground state energy for confined molecules
Filho, Elso Drigo [UNESP]
title_short Vibrational ground state energy for confined molecules
title_full Vibrational ground state energy for confined molecules
title_fullStr Vibrational ground state energy for confined molecules
title_full_unstemmed Vibrational ground state energy for confined molecules
title_sort Vibrational ground state energy for confined molecules
author Filho, Elso Drigo [UNESP]
author_facet Filho, Elso Drigo [UNESP]
Silva, Josimar Fernando Da [UNESP]
author_role author
author2 Silva, Josimar Fernando Da [UNESP]
author2_role author
dc.contributor.none.fl_str_mv Universidade Estadual Paulista (Unesp)
dc.contributor.author.fl_str_mv Filho, Elso Drigo [UNESP]
Silva, Josimar Fernando Da [UNESP]
description The ground state vibrational energies for three confined diatomic molecules (nitrogen, lithium and NaH) are determined by using the variational method. The approach proposed allows us to build trial eigenfunctions based on wave functions obtained from the supersymmetric quantum mechanics formalism. The Morse potential is used to simulate the molecular bound and the confinement is analyzed by introducing two barriers with the minimum of the potential inside this region. The methodology adopted was successfully used previously to describe the hydrogen molecule. The conclusion from these results is that the approach can be extended for other diatomic molecules.
publishDate 2019
dc.date.none.fl_str_mv 2019-10-06T17:09:34Z
2019-10-06T17:09:34Z
2019-04-24
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/conferenceObject
format conferenceObject
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1088/1742-6596/1194/1/012029
Journal of Physics: Conference Series, v. 1194, n. 1, 2019.
1742-6596
1742-6588
http://hdl.handle.net/11449/190326
10.1088/1742-6596/1194/1/012029
2-s2.0-85065560606
3277957413291567
0000-0001-6536-4153
url http://dx.doi.org/10.1088/1742-6596/1194/1/012029
http://hdl.handle.net/11449/190326
identifier_str_mv Journal of Physics: Conference Series, v. 1194, n. 1, 2019.
1742-6596
1742-6588
10.1088/1742-6596/1194/1/012029
2-s2.0-85065560606
3277957413291567
0000-0001-6536-4153
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Journal of Physics: Conference Series
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
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)
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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)
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