COMPARISON OF THE SPHERICALLY AVERAGED PSEUDOPOTENTIAL MODEL WITH THESTABILIZED JELLIUM MODEL

Citation
A. Vieira et al., COMPARISON OF THE SPHERICALLY AVERAGED PSEUDOPOTENTIAL MODEL WITH THESTABILIZED JELLIUM MODEL, Journal of physics. B, Atomic molecular and optical physics, 30(15), 1997, pp. 3583-3596
Citations number
32
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
30
Issue
15
Year of publication
1997
Pages
3583 - 3596
Database
ISI
SICI code
0953-4075(1997)30:15<3583:COTSAP>2.0.ZU;2-M
Abstract
We compare Kohn-Sham results (density, cohesive energy, size and effec t 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, althou gh conceptually and practically simpler, gives better results for the cohesive energy and the elastic stiffness. We use the local density ap proximation as well as the generalized gradient approximation for the exchange and correlation energies.