Comparison of the Spherical Averaged Pseudopotential Model with the Stabilized Jellium Model

Details Comparison of the Spherical Averaged Pseudopotential Model with the Stabilized Jellium Model Comparison of the Spherical Averaged Pseudopotential Model with the Stabilized Jellium Model

1997-06-20

arxiv.org/abs/cond-mat/9706207v1

J. Phys. B., vol 30, pp 1-14 (1997)

Physics

Condensed Matter

13 pages, latex, 8 figures, compressed postscript version available at http://www.fis.uc.pt/~vieira

Scientific paper

10.1088/0953-4075/30/15/025

We compare Kohn-Sham results (density, cohesive energy, size and effect of charging) of the Spherical Averaged Pseudopotential Model with the Stabilized Jellium Model for clusters of sodium and aluminum with less than 20 atoms. We find that the Stabilized Jellium Model, although conceptually and practically more simple, gives better results for the cohesive energy and the elastic stiffness. We use the Local Density Approximation as well as the Generalized Gradient Approximation to the exchange and correlation energies.

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