Author(s):
Vieira, Armando 
; Begoña Torres, M. ; Fiolhais, Carlos ; Carlos Balbás, L.
Date: 1997
Persistent ID: http://hdl.handle.net/10316/12355
Origin: Estudo Geral - Universidade de Coimbra
Document details
Comparison of the spherically averaged pseudopotential model with the stabilize...
Description
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
Document Type
Article
Language English
Language English
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