Exact exchange-optimized effective potential and self-compression of stabilized jellium clusters

摘要

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, Na, and Cs with N = 2, 8, 18, 20, 34, and 40 show that the clusters are 3% more compressed here than in the local spin density approximation (LSDA). On the other hand, in the LSDA, neglecting the correlation results in a contraction by 1.4%.