Exact exchange optimized effective potential and self-compression of stabilized jellium clusters
Atomic and Molecular Clusters
2009-11-11 v2 Materials Science
Abstract
In this work, we have used the exchange-only optimized effective potential in the self-consistent calculations of the density functional Kohn-Sham equations for simple metal clusters in stabilized jellium model with self-compression. The results for the closed-shell clusters of Al, Li, Na, K, and Cs with 2, 8, 18, 20, 34, and 40 show that the clusters are 3% more compressed here than in the local spin density approximation. On the other hand, in the LSDA, neglecting the correlation results in a contraction by 1.4%.
Cite
@article{arxiv.physics/0508157,
title = {Exact exchange optimized effective potential and self-compression of stabilized jellium clusters},
author = {M. Payami},
journal= {arXiv preprint arXiv:physics/0508157},
year = {2009}
}
Comments
7 pages, RevTex, 5 eps figures, 2 tables