A. Vieira et al., SELF-EXPANSION AND COMPRESSION OF CHARGED CLUSTERS OF STABILIZED JELLIUM, International journal of quantum chemistry, 60(7), 1996, pp. 325-336
In a positively charged metallic cluster, surface tension tends to enh
ance the ionic density with respect to its bulk value, while surface-c
harge repulsion tends to reduce it. Using the stabilized jellium model
, we examine the self-expansion and compression of positively charged
clusters of simply metals. Quantal results from the Kohn-Sham equation
s using the local density approximation are compared with continuous r
esults from the liquid drop model. The positive background is constrai
ned to a spherical shape. Numerical results for the equilibrium radius
and the elastic stiffness are presented for singly and doubly positiv
ely charged aluminum sodium, and cesium clusters of 1-20 atoms. Self-e
xpansion occurs for small charged clusters of sodium and cesium, but n
ot of aluminum. The effect of the expansion or compression on the ioni
zation energies is analyzed. For Al-6, we also consider net charges gr
eater than 2(+). The results of the stabilized jellium model for self-
compression are compared with those of other models, including the SAP
S (spherical averaged pseudopotential model). (C) 1996 John Wiley & So
ns, Inc.