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

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 $N=$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%.

arXiv comment7 pages, RevTex, 5 eps figures, 2 tables

References in corpus (6)

• Simple iterative construction of the optimized effective potential for orbital functionals, including exact exchange
• Optimized Effective Potential made simple: Orbital functionals, orbital shifts, and the exact Kohn-Sham exchange potential
• Exact-exchange density-functional calculations for noble-gas solids
• Stabilized jellium model and structural relaxation effects on the fragmentation energies of ionized silver clusters
• Volume change of bulk metals and metal clusters due to spin-polarization
• Self-consistent iterative solution of the exchange-only OEP equations for simple metal clusters in jellium model

Cited by in corpus (3)

• Equilibrium properties of simple metal thin films in the self-compressed stabilized jellium model
• Self-compressed inhomogeneous stabilized jellium model and surface relaxation of simple metal thin films
• Density-functional theory study of ionic inhomogeneity in metal clusters using SC-ISJM