A simple geometrical path towards hybrid orbitals
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Data
2014-11-01
Autores
Nacbar, Denis Rafael
Ribeiro, Allan Victor [UNESP]
Bruno-Alfonso, Alexys [UNESP]
Título da Revista
ISSN da Revista
Título de Volume
Editor
Univ Fed Sao Carlos, Dept Engenharia Materials
Resumo
It 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.
Descrição
Palavras-chave
Hybrid orbitals, Localization, Wannier functions
Como citar
Materials Research-ibero-american Journal Of Materials. Sao Carlos: Univ Fed Sao Carlos, Dept Engenharia Materials, v. 17, n. 6, p. 1474-1476, 2014.