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

In this work, employing the exchange-only orbital-dependent functional, we have obtained an optimized effective potential using the simple iterative method proposed by Kummel and Perdew (2003 Phys. Rev. Lett. 90 43004). Using this method, we have solved the self-consistent Kohn-Sham equations for cl...

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Veröffentlicht in:Journal of physics. Condensed matter 2006-01, Vol.18 (1), p.75-85, Article 75
Hauptverfasser: Payami, M, Mahmoodi, T
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Sprache:eng
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Zusammenfassung:In this work, employing the exchange-only orbital-dependent functional, we have obtained an optimized effective potential using the simple iterative method proposed by Kummel and Perdew (2003 Phys. Rev. Lett. 90 43004). 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 the jellium model. The results are in good agreement with those obtained by a different method by Engel and Vosko (1994 Phys. Rev. B 50 10498).
ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/18/1/005