A simple geometrical path towards hybrid orbitals

dc.contributorInst Fed Educ Ciencia &Tecnol Sao Paulo IFSP
dc.contributorUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2015-11-03T15:30:01Z
dc.date.available2015-11-03T15:30:01Z
dc.date.created2015-11-03T15:30:01Z
dc.date.issued2014-11-01
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.identifier10.1590/1516-1439.291014
dc.identifierS1516-14392014000600015
dc.identifierWOS:000349766900014
dc.identifierS1516-14392014000600015.pdf
dc.description.abstractIt 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.languageeng
dc.publisherUniv Fed Sao Carlos, Dept Engenharia Materials
dc.relationMaterials Research-ibero-american Journal Of Materials
dc.relation1.103
dc.relation0,398
dc.rightsAcesso aberto
dc.sourceWeb of Science
dc.subjectHybrid orbitals
dc.subjectLocalization
dc.subjectWannier functions
dc.titleA simple geometrical path towards hybrid orbitals
dc.typeArtículos de revistas


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