基于改进粒子群优化算法的氩原子团簇结构优化

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Arn（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。

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

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.