A simple geometrical path towards hybrid orbitals

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 orbitals is discussed.

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Bibliographic Details
Main Authors: Nacbar,Denis Rafael, Ribeiro,Allan Victor, Bruno-Alfonso,Alexys
Format: Digital revista
Language:English
Published: ABM, ABC, ABPol 2014
Online Access:http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392014000600015
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spelling oai:scielo:S1516-143920140006000152015-02-10A simple geometrical path towards hybrid orbitalsNacbar,Denis RafaelRibeiro,Allan VictorBruno-Alfonso,Alexys hybrid orbitals localization Wannier functions 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.info:eu-repo/semantics/openAccessABM, ABC, ABPolMaterials Research v.17 n.6 20142014-12-01info:eu-repo/semantics/articletext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392014000600015en10.1590/1516-1439.291014
institution SCIELO
collection OJS
country Brasil
countrycode BR
component Revista
access En linea
databasecode rev-scielo-br
tag revista
region America del Sur
libraryname SciELO
language English
format Digital
author Nacbar,Denis Rafael
Ribeiro,Allan Victor
Bruno-Alfonso,Alexys
spellingShingle Nacbar,Denis Rafael
Ribeiro,Allan Victor
Bruno-Alfonso,Alexys
A simple geometrical path towards hybrid orbitals
author_facet Nacbar,Denis Rafael
Ribeiro,Allan Victor
Bruno-Alfonso,Alexys
author_sort Nacbar,Denis Rafael
title A simple geometrical path towards hybrid orbitals
title_short A simple geometrical path towards hybrid orbitals
title_full A simple geometrical path towards hybrid orbitals
title_fullStr A simple geometrical path towards hybrid orbitals
title_full_unstemmed A simple geometrical path towards hybrid orbitals
title_sort simple geometrical path towards hybrid orbitals
description 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.
publisher ABM, ABC, ABPol
publishDate 2014
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392014000600015
work_keys_str_mv AT nacbardenisrafael asimplegeometricalpathtowardshybridorbitals
AT ribeiroallanvictor asimplegeometricalpathtowardshybridorbitals
AT brunoalfonsoalexys asimplegeometricalpathtowardshybridorbitals
AT nacbardenisrafael simplegeometricalpathtowardshybridorbitals
AT ribeiroallanvictor simplegeometricalpathtowardshybridorbitals
AT brunoalfonsoalexys simplegeometricalpathtowardshybridorbitals
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