Abstract
Using a recently developed Adaptive Simulated Annealing algorithm, we have performed total energy minimizations for small silicon clusters of sizes from 10 to 36. The total energy and forces are calculated with the generalized tight-binding parametrization by Kwon et al. The final ground state structures are reached after about 100,000 to 200,000 molecular dynamics time steps. A few stable clusters with relatively large HOMO-LUMO gap, which is a signature of their stability can be identified. For the stable, high cohesive energy clusters, we also calculate the vibrational spectra, and predict the modes that can be detected under IR and Raman spectroscopy.
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