Self-consistent iterative solution of the exchange-only OEP equations for simple metal clusters in jellium model

Details Self-consistent iterative solution of the exchange-only OEP equations for simple metal clusters in jellium model Self-consistent iterative solution of the exchange-only OEP equations for simple metal clusters in jellium model

2005-08-17

arxiv.org/abs/physics/0508115v2

J. Phys.: Condens. Matter Vol 18, 75 (2006)

Physics

Atomic and Molecular Clusters

RevTex, 6 pages, 5 eps figures. To appear in Journal of Physics:Condensed Matter (2005)

Scientific paper

In this work, employing the exchange-only orbital-dependent functional, we have obtained the optimized effective potential using the simple iterative method proposed by K\"ummel and Perdew [S. K\"ummel and J. P. Perdew, Phys. Rev. Lett. {\bf 90}, 43004-1 (2003)]. Using this method, we have solved the self-consistent Kohn-Sham equations for closed-shell simple metal clusters of Al, Li, Na, K, and Cs in the context of jellium model. The results are in good agreement with those obtained by the different method of Engel and Vosko [E. Engel and S. H. Vosko, Phys. Rev. B {\bf 50}, 10498 (1994)].

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