【摘要】 原子间势函数在团簇结构和性质的理论研究中十分重要。本文将模拟团簇原子间相互作用的势函数划分成三类,对各类势函数的发展状况进行了综述;并对原子间势函数与最优化方法和分子动力学相结合,在团簇结构和性能研究中的应用和发展方向进行了讨论。更多还原

【Abstract】 Interatomic potential functions are crucial in cluster research. The potential functions applied in simulating the interactions of atoms in clusters are classified into three types, and the development of each type is reviewed. The applications combined with optimization methods and molecular dynamics in studying the structures and properties of the clusters, and the trends in the potential functions are discussed.更多还原