Geometry optimizations of benzene clusters using a modified genetic algorithm

来源 :Chinese Journal of Chemistry | 被引量 : 0次 | 上传用户:myxiu
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A modified genetic algorithm with real-number coding, non-uniform 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. A modified genetic algorithm with real-number coding, non-uniform 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.
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