Lun（n=2～36）团簇基态结构的遗传算法研究

Ground-states structures of Lu_n(n=2～36) clusters basedgenetic algorithm

利用遗传算法结合经验势研究了Lun（n=2～36）团簇的基态结构.分析了Lun（n=2～36）团簇的基态结构随尺寸的变化规律.计算结果表明,团簇的每个原子的平均结合能和总结合能随团簇尺寸的增大而增大.以总结合能的二阶差分为判据,Lun（n=2～36）团簇的幻数是4,7,13,19,23,26,29,32,34.

The structures and stabilities of the ground-states for Lun（n=2～36） clusters are studied by using a genetic algorithm which combined with experience potential.The structure with the size of cluster is analyzed.The calculated result shows that the average binding energy per atom and the total binding energy of the Lun（n=2～36） clusters is increase with the cluster size.According to the second order difference of the total binding energy,the magic numbers of the Lun（n=2～36） clusters are 4,7,13,19,23,26,29,32,34.