The effect of confinement on the electronic energy and polarizability of a hydrogen molecular ion
dc.contributor.author | Silva, Josimar Fernando da [UNESP] | |
dc.contributor.author | Silva, Fabricio Ramos [UNESP] | |
dc.contributor.author | Drigo Filho, Elso [UNESP] | |
dc.contributor.institution | Universidade Estadual Paulista (Unesp) | |
dc.contributor.institution | Univ Valladolid | |
dc.date.accessioned | 2018-11-26T16:23:43Z | |
dc.date.available | 2018-11-26T16:23:43Z | |
dc.date.issued | 2016-04-05 | |
dc.description.abstract | The 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.affiliation | Univ Estadual Paulista, Inst Biociencias, Dept Fis, Letras E Ciencias Exatas, BR-15054000 Sao Paulo, Brazil | |
dc.description.affiliation | Univ Valladolid, Dept Fis Teor, Atom & Opt, E-47011 Valladolid, Spain | |
dc.description.affiliation | Univ Valladolid, IMUVA Inst Matemat, E-47011 Valladolid, Spain | |
dc.description.affiliationUnesp | Univ Estadual Paulista, Inst Biociencias, Dept Fis, Letras E Ciencias Exatas, BR-15054000 Sao Paulo, Brazil | |
dc.description.sponsorship | Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) | |
dc.description.sponsorship | Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) | |
dc.description.sponsorship | Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) | |
dc.description.sponsorship | Spanish MINECO | |
dc.description.sponsorship | Junta de Castilla y Leon | |
dc.description.sponsorshipId | CAPES: 33004153068P9 | |
dc.description.sponsorshipId | FAPESP: 2010 02001-6 | |
dc.description.sponsorshipId | CNPq: 233776 2014-1 | |
dc.description.sponsorshipId | Spanish MINECO: MTM2014-57129-C2-1-P | |
dc.description.sponsorshipId | Junta de Castilla y Leon: UIC 011 | |
dc.format.extent | 497-503 | |
dc.identifier | http://dx.doi.org/10.1002/qua.25084 | |
dc.identifier.citation | International Journal Of Quantum Chemistry. Hoboken: Wiley-blackwell, v. 116, n. 7, p. 497-503, 2016. | |
dc.identifier.doi | 10.1002/qua.25084 | |
dc.identifier.issn | 0020-7608 | |
dc.identifier.uri | http://hdl.handle.net/11449/161213 | |
dc.identifier.wos | WOS:000370154700002 | |
dc.language.iso | eng | |
dc.publisher | Wiley-Blackwell | |
dc.relation.ispartof | International Journal Of Quantum Chemistry | |
dc.relation.ispartofsjr | 1,003 | |
dc.rights.accessRights | Acesso restrito | |
dc.source | Web of Science | |
dc.subject | variational method | |
dc.subject | confined molecule | |
dc.subject | hydrogen molecular ion | |
dc.subject | electronic energy | |
dc.subject | polarizability | |
dc.title | The effect of confinement on the electronic energy and polarizability of a hydrogen molecular ion | en |
dc.type | Artigo | |
dcterms.license | http://olabout.wiley.com/WileyCDA/Section/id-406071.html | |
dcterms.rightsHolder | Wiley-Blackwell | |
dspace.entity.type | Publication | |
unesp.campus | Universidade Estadual Paulista (UNESP), Instituto de Biociências, Letras e Ciências Exatas, São José do Rio Preto | pt |
unesp.department | Física - IBILCE | pt |