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Geometry optimizations of benzene clusters using a modified genetic algorithm

✍ Scribed by Cai Wen-Sheng; Yu Fang; Shao Xue-Guang; Pan Zhong-Xiao

Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
399 KB
Volume
18
Category
Article
ISSN
0256-7660

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✦ Synopsis

Abstract

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 (C~6~H~6~)~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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