Otro
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
S1516-14392014000600015
WOS:000349766900014
S1516-14392014000600015.pdf
Autor
Nacbar, Denis Rafael
Ribeiro, Allan Victor
Bruno-Alfonso, Alexys
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)