A simple geometrical path towards hybrid orbitals

Nacbar, Denis Rafael; Ribeiro, Allan Victor; Bruno-Alfonso, Alexys

Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/130185

Title:

A simple geometrical path towards hybrid orbitals

Author(s):

Institution:

Inst Fed Educ Ciencia &Tecnol Sao Paulo IFSP
Universidade Estadual Paulista (UNESP)

ISSN:

1516-1439

Sponsorship:

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Abstract:

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.

Issue Date:

1-Nov-2014

Citation:

Materials Research-ibero-american Journal Of Materials. Sao Carlos: Univ Fed Sao Carlos, Dept Engenharia Materials, v. 17, n. 6, p. 1474-1476, 2014.

Time Duration:

1474-1476

Publisher:

Univ Fed Sao Carlos, Dept Engenharia Materials

Keywords:

Hybrid orbitals
Localization
Wannier functions

Source:

http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392014000600015&lng=en&nrm=iso&tlng=en

URI:

Access Rights:

Acesso aberto

Type:

outro

Source:

http://repositorio.unesp.br/handle/11449/130185

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