Geometry optimizations of benzene clusters using a modified genetic algorithm

A modified genetic algorithm with real-number coding, nonuniform mutation and arithmetical crossover operators was described In this paper. A local minimization was used to improve the final solution obtained by the genetic algorithm. Using the exp-6-1 interatomic energy function, the modified genetic algorithm with local minimization (MGALM) was applied to the geometry optimization problem of small benzene clusters (C6H6) (N) (N = 2-7) to obtain the global minimum energy structures. MGALM is simple but the structures optimized are comparable to the published results obtained by parallel genetic algorithms.