4.6 Article

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

Journal

PHYSICAL REVIEW B
Volume 73, Issue 11, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.73.113106

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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%.

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