Abstract

The ground state geometries are calculated for fcc clusters with n ⩽ 100 and for icosahedral clusters with n ⩽ 77. The optimization is done by simulated annealing method. Only s-electrons are included in the Hückel model and the lattice relaxation is neglected. The Hückel model and the effective medium theory lead to different ground state geometries. The ground states favour icosahedral structure when 18 ⩽ n ⩽ 30 and fcc lattice structure when 41 ⩽ n ⩽ 77.

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