用密度泛函（DFT）方法研究了铜原子簇 Cun（n=2,3,4,6）的稳定几何构型和电子结构.通过拟合从头算势能面构造铜原子簇势能函数的双体、三体及四体项,并利用该函数和全局优化“Basin-Hopping”算法得到较大铜原子簇（n=13～56）能量极小的结构,计算结果与实验及其它计算结果相一致. The stable geometry and electronic structure of copper cluster Cun (n = 2,3,4,6) were investigated by density functional theory (DFT). By fitting the ab initio potential energy surface to construct the potential energy function of copper cluster , Trisomy and quaternion, and using this function and the global optimization “Basin-Hopping” algorithm, the structure of the larger copper clusters (n = 13-56) is obtained with minimum energies. The calculation results are consistent with the experimental results and other calculations .