[Pw_forum] Hybridization

Stefano de Gironcoli degironc at sissa.it
Mon May 10 09:24:01 CEST 2010


kazempoor at ph.iut.ac.ir wrote:
> Dear All
> It is not clear for me if  the orbitals of one atom hybridyze with each other? I mean for example for Mn isolated atoms does the s and  
> p and d hybridyze? How does the situation change when go from isolated atom to crystal ?
> In general when does the overlap between orbitals  lead to hybridization?
>   
always unless they belong to different symmetry representations.
Hence s, p and d orbitals of a system with spherical symmetry do not 
hybridize, while in a solid or in a molecule they usually do.

Stefano de Gironcoli
SISSA and DEMOCRITOS

> Thanks  a lot
>
> Ali Kazempour
> Physics Department, Isfahn University of Technology
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>   




More information about the users mailing list