Artigo
A simple geometrical path towards hybrid orbitals
Registro en:
Materials Research-ibero-american Journal Of Materials. Sao Carlos: Univ Fed Sao Carlos, Dept Engenharia Materials, v. 17, n. 6, p. 1474-1476, 2014.
1516-1439
10.1590/1516-1439.291014
S1516-14392014000600015
WOS:000349766900014
S1516-14392014000600015.pdf
Autor
Nacbar, Denis Rafael
Ribeiro, Allan Victor [UNESP]
Bruno-Alfonso, Alexys [UNESP]
Resumen
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. Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Inst Fed Educ Ciencia &Tecnol Sao Paulo IFSP, BR-12929600 Braganca Paulista, SP, Brazil Univ Estadual Paulista, Programa Posgrad Ciencia &Tecnol Mat POSMAT, BR-17033360 Bauru, SP, Brazil Inst Fed Educ Ciencia &Tecnol Sao Paulo IFSP, BR-16201407 Birigui, SP, Brazil Univ Estadual Paulista, Fac Ciencias, Dept Matemat, BR-17033360 Bauru, SP, Brazil Univ Estadual Paulista, Programa Posgrad Ciencia &Tecnol Mat POSMAT, BR-17033360 Bauru, SP, Brazil Univ Estadual Paulista, Fac Ciencias, Dept Matemat, BR-17033360 Bauru, SP, Brazil