简单金属团簇交换OEP方程的自洽迭代解
Self-consistent iterative solution of the exchange-only OEP equations for simple metal clusters in jellium model
摘要：
本文采用Kümmel和Perdew [S. Kümmel和J. P. Perdew，Phys. Rev. Lett. { \bf 90}，43004-1（2003）]。利用这种方法，我们求解了闭壳层简单金属团簇Al，Li，Na，K和Cs在Jelvan-Scham模型下的自洽Kohn-Sham方程。所得结果与Engel和Vosko [E. Engel和S. H. Vosko，Phys. Rev. B { \bf 50}，10498（1994）]。
英文摘要：
In this work, employing the exchange-only orbital-dependent functional, we have obtained the optimized effective potential using the simple iterative method proposed by Kümmel and Perdew [S. Kümmel 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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