Generalized simulated annealing: Application to silicon clusters
نویسندگان
چکیده
We have compared the recently introduced generalized simulated annealing ~GSA! with conventional simulated annealing ~CSA!. GSA was tested as a tool to obtain the ground-state geometry of molecules. We have used selected silicon clusters (Sin , n54 – 7,10) as test cases. Total energies were calculated through tightbinding molecular dynamics. We have found that the replacement of Boltzmann statistics ~CSA! by Tsallis’s statistics ~GSA! has the potential to speed up optimizations with no loss of accuracy. Next, we applied the GSA method to study the ground-state geometry of a 20-atom silicon cluster. We found an original geometry, apparently lower in energy than those previously described in the literature. @S0163-1829~97!06239-5#
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