Autor(es):
Vieira, Armando 
; Begoña Torres, M. ; Fiolhais, Carlos ; Carlos Balbás, L.
Data: 1997
Identificador Persistente: http://hdl.handle.net/10316/12355
Origem: Estudo Geral - Universidade de Coimbra
Detalhes do Documento
Comparison of the spherically averaged pseudopotential model with the stabilize...
Descrição
We compare Kohn - Sham results (density, cohesive energy, size and effect of charging) of the spherically averaged pseudopotential model with the stabilized jellium model for clusters of sodium and aluminium with less than 20 atoms. We find that the stabilized jellium model, although conceptually and practically simpler, gives better results for the cohesive energy and the elastic stiffness. We use the local density approximation as well as the generalized gradient approximation for the exchange and correlation energies
We compare Kohn - Sham results (density, cohesive energy, size and effect of charging) of the spherically averaged pseudopotential model with the stabilized jellium model for clusters of sodium and aluminium with less than 20 atoms. We find that the stabilized jellium model, although conceptually and practically simpler, gives better results for the cohesive energy and the elastic stiffness. We use the local density approximation as well as the generalized gradient approximation for the exchange and correlation energies
Tipo de Documento
Artigo
Idioma Inglês
Idioma Inglês
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