title: Geometry optimization of atomic clusters using a heuristic method with dynamic lattice searching.
abstract: In this paper, a global optimization method is presented to determine the global-minimum structures of atomic clusters, where several already existing techniques are combined, such as the dynamic lattice searching method and two-phase local minimization method. The present method is applied to some selected large-sized Lennard-Jones (LJ) clusters and silver clusters described by the Gupta potential in the size range N = 13-140 and 300. Comparison with the results reported in the literature shows that the method is highly efficient and a lot of new global minima missed in previous papers are found for the silver clusters. The method may be a promising tool for the theoretical determination of ground-state structure of atomic clusters. Additionally, the stabilities of silver clusters are also analyzed and it is found that in the size range N = 13-140 there exist 12 particularly stable clusters.
authors.affiliation: School of Computer Science and Technology, Huazhong University of Science and Technology, Wuhan, China. laixiangjing@gmail.com
authors.forename: Xiangjing
authors.initials: X
authors.lastname: Lai
authors.forename: Wenqi
authors.initials: W
authors.lastname: Huang
authors.forename: Ruchu
authors.initials: R
authors.lastname: Xu