镍小团簇的基态结构和能量

The Basic State Structure and Energy of Small Ni Clusters

采用Gupta势来描述Nin 团簇中原子之间的相互作用 ,用模拟自然界生物进化的遗传算法优化计算了Nin 团簇 (n =2～ 2 3)的基态结构和能量 ,给出了结构和能量随原子数目的变化规律 ,并讨论了其相对稳定性。

The interaction between atomics in Ni cluster is investigated by Gupta potential, and the basic state structure and energy of Ni cluster(n = 2～23) is computed by the genetic algorithms. As a result, the author gives the variable law of structure and energy with the atomic number and discusses the static property.