基于改进粒子群优化算法的氩原子团簇结构优化  

Optimization of Ar atom cluster structure using improved particle swarm optimization algorithm

作　　者：曾思琴[1] 叶美盈[1] 

机构地区：[1]浙江师范大学物理系,金华321004

出　　处：《原子与分子物理学报》2011年第1期52-58,共7页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(10932010)

摘　　要：采用改进粒子群优化算法(IPSO)结合Lennard-Jones势对氩原子团簇结构进行优化,得到了氩原子团簇的稳态结构能量.以氩原子团簇Ar_n(n=2～14)为例,验证了该方法的有效性.结果表明,应用本文提出的方法可得到对称性良好的团簇结构.与基本粒子群优化算法(BPSO)及遗传算法(GA)相比,改进粒子群优化算法具有更好的收敛特性,能较快地得到氩原子团簇结构的最优解.An improved particle swarm optimization （IPSO） algorithm combined with Lennard-Jones potential was used to optimize the structure of Ar clusters in order to obtain a stable structure of the clusters. The Arn clusters with size n = 2-14 have been demonstrated to verify the effectiveness of the proposed method. The results show that the structure of Ar clusters obtained by the method has a high degree of symmetry. In addition, compared with basic particle swarm optimization （BPSO） algorithm and genetic algorithm （GA）, the IPSO algorithm has a better convergence characteristic. The optimal solution of Ar cluster structure can be quickly achieved by the proposed method.

关 键 词：氩原子团簇 团簇结构 粒子群优化算法 Lennard—Jones势 

分 类 号：O561.1[理学—原子与分子物理]