A simple geometrical path towards hybrid orbitals

dc.contributorUniversidade Estadual Paulista (UNESP)
dc.creatorNacbar, Denis Rafael
dc.creatorRibeiro, Allan Victor
dc.creatorBruno-Alfonso, Alexys
dc.date2015-11-03T15:30:01Z
dc.date2016-10-25T21:18:40Z
dc.date2015-11-03T15:30:01Z
dc.date2016-10-25T21:18:40Z
dc.date2014-11-01
dc.date.accessioned2017-04-06T09:18:35Z
dc.date.available2017-04-06T09:18:35Z
dc.identifierMaterials Research-ibero-american Journal Of Materials. Sao Carlos: Univ Fed Sao Carlos, Dept Engenharia Materials, v. 17, n. 6, p. 1474-1476, 2014.
dc.identifier1516-1439
dc.identifierhttp://hdl.handle.net/11449/130185
dc.identifierhttp://acervodigital.unesp.br/handle/11449/130185
dc.identifierhttp://dx.doi.org/10.1590/1516-1439.291014
dc.identifierS1516-14392014000600015
dc.identifierWOS:000349766900014
dc.identifierS1516-14392014000600015.pdf
dc.identifierhttp://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392014000600015&lng=en&nrm=iso&tlng=en
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/940732
dc.descriptionIt is shown that the standard sp(n) hybrid orbitals are orthogonal orbitals that minimize the total quadratic spread. This is done in a concise way that may improve the understanding of hybrid orbitals. The fact that maximally localized Wannier functions of crystalline materials may resemble hybrid orbitals is discussed.
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.languageeng
dc.publisherUniv Fed Sao Carlos, Dept Engenharia Materials
dc.relationMaterials Research-ibero-american Journal Of Materials
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectHybrid orbitals
dc.subjectLocalization
dc.subjectWannier functions
dc.titleA simple geometrical path towards hybrid orbitals
dc.typeOtro


Este ítem pertenece a la siguiente institución