CHARGE STATE DEPENDENCE OF CLUSTER TOTAL ENERGIES AND E_F

The following graphs represent the variations of both the cluster total energy and Kohn-Sham Fermi level with varying charge state. Two clusters are considered, C₆₂H₂₀ and Si₃₅H₃₆ representing graphite and silicon respectively. The total energy has been calculated for q=-1 to 1 in steps of 0.1e.

Last modified: Wed Jan 28 13:53:20 GMT 1998 by Paul Leary