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Volume shift and charge instability of simple-metal clusters

Authors: M. Brajczewska, A. Vieira, C. Fiolhais and J.P. Perdew

Ref.: Progress in Surface Science 53, 305-313 (1996)

Abstract: Experiment indicates that small clusters show changes (mostly contractions) of the bond lengths with respect to bulk values. We use the stabilized jellium model to study the self-expansion and self-compression of shperical clusters (neutral or ionized) of simple metals. Results from Kohn-Sham density functional theory are presented for small clusters of Al and Na, including negatively-charged ones. We also examine the stability of clusters with respect to charging.