Computation of capacitances of Cu-n nanocluters

The capacitance C of isolated clusters Cu-n (n=13 to 535) is computed by us ing an atomistic model based on DFT concepts and realistic cluster geometri es. The equilibrium OK atomic configurations are evaluated independently by means of heating and cooling cycles modelled classically by MD using a tig ht binding cohesion model. The dependence of C over the cluster size calcul ated numerically is compared to available experimental data and to the simp le classical and jellium 1/R behavior. Variation of C with the cluster topo logy is studied by computing the chemical hardness eta=e(2)/4 pi epsilon(0) C of isomers of Cu-44 (C) 1999 Acta Metallurgica Inc.