A simple geometrical path towards hybrid orbitals
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...
| Autores: | , , |
|---|---|
| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2014 |
| País: | Brasil |
| Institución: | Universidade Estadual Paulista (UNESP) |
| Repositorio: | Repositório Institucional da UNESP |
| Idioma: | inglés |
| OAI Identifier: | oai:repositorio.unesp.br:11449/130185 |
| Acceso en línea: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392014000600015&lng=en&nrm=iso&tlng=en http://hdl.handle.net/11449/130185 |
| Access Level: | acceso abierto |
| Palabra clave: | Hybrid orbitals Localization Wannier functions |
| Sumario: | 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. |
|---|