Genetic algorithms based structure calculations for hydrogenated silicon clusters

Biologically inspired genetic algorithms (GAs) were successfully used to determine the ground state structures of a number of Si-H clusters. A quantum mechanics based non-orthogonal tight binding approximation was used to determine the cohesive energies of the configurations and the results are compared with the earlier calculations based upon Simulated Annealing technique and Density Functional theory. (C) 2002 Elsevier Science B.V. All rights reserved.