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The effect of confinement on the electronic energy and polarizability of a hydrogen molecular ion

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dc.contributor.authorSilva, Josimar Fernando da [UNESP]
dc.contributor.authorSilva, Fabricio Ramos [UNESP]
dc.contributor.authorDrigo Filho, Elso [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniv Valladolid
dc.date.accessioned2018-11-26T16:23:43Z
dc.date.available2018-11-26T16:23:43Z
dc.date.issued2016-04-05
dc.description.abstractThe electronic energy and the polarizability of a confined hydrogen molecular ion in the ground state and the first excited state, for cavities of different volumes, are calculated using the variational method. In the treatment adopted an alternative molecular wave function is introduced with only one variational parameter and based on wave functions used for confined atoms. (c) 2016 Wiley Periodicals, Inc.en
dc.description.affiliationUniv Estadual Paulista, Inst Biociencias, Dept Fis, Letras E Ciencias Exatas, BR-15054000 Sao Paulo, Brazil
dc.description.affiliationUniv Valladolid, Dept Fis Teor, Atom & Opt, E-47011 Valladolid, Spain
dc.description.affiliationUniv Valladolid, IMUVA Inst Matemat, E-47011 Valladolid, Spain
dc.description.affiliationUnespUniv Estadual Paulista, Inst Biociencias, Dept Fis, Letras E Ciencias Exatas, BR-15054000 Sao Paulo, Brazil
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipSpanish MINECO
dc.description.sponsorshipJunta de Castilla y Leon
dc.description.sponsorshipIdCAPES: 33004153068P9
dc.description.sponsorshipIdFAPESP: 2010 02001-6
dc.description.sponsorshipIdCNPq: 233776 2014-1
dc.description.sponsorshipIdSpanish MINECO: MTM2014-57129-C2-1-P
dc.description.sponsorshipIdJunta de Castilla y Leon: UIC 011
dc.format.extent497-503
dc.identifierhttp://dx.doi.org/10.1002/qua.25084
dc.identifier.citationInternational Journal Of Quantum Chemistry. Hoboken: Wiley-blackwell, v. 116, n. 7, p. 497-503, 2016.
dc.identifier.doi10.1002/qua.25084
dc.identifier.issn0020-7608
dc.identifier.urihttp://hdl.handle.net/11449/161213
dc.identifier.wosWOS:000370154700002
dc.language.isoeng
dc.publisherWiley-Blackwell
dc.relation.ispartofInternational Journal Of Quantum Chemistry
dc.relation.ispartofsjr1,003
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.subjectvariational method
dc.subjectconfined molecule
dc.subjecthydrogen molecular ion
dc.subjectelectronic energy
dc.subjectpolarizability
dc.titleThe effect of confinement on the electronic energy and polarizability of a hydrogen molecular ionen
dc.typeArtigo
dcterms.licensehttp://olabout.wiley.com/WileyCDA/Section/id-406071.html
dcterms.rightsHolderWiley-Blackwell
dspace.entity.typePublication
unesp.campusUniversidade Estadual Paulista (UNESP), Instituto de Biociências, Letras e Ciências Exatas, São José do Rio Pretopt
unesp.departmentFísica - IBILCEpt

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São José do Rio Preto - IBILCE - Instituto de Biociências, Letras e Ciências Exatas