Liu Lei, Yang Weidong, Zi Jian, Chen Kaitai, Li Yufen. Structure and Cohesive Energy of Cu Clusters (Ⅰ)——Application of Embedded Atom Method to Study of Metal Clusters[J]. Chinese Journal of Chemical Physics , 1993, 6(4): 314-320.
Citation:
Liu Lei, Yang Weidong, Zi Jian, Chen Kaitai, Li Yufen. Structure and Cohesive Energy of Cu Clusters (Ⅰ)——Application of Embedded Atom Method to Study of Metal Clusters[J]. Chinese Journal of Chemical Physics , 1993, 6(4): 314-320.
Liu Lei, Yang Weidong, Zi Jian, Chen Kaitai, Li Yufen. Structure and Cohesive Energy of Cu Clusters (Ⅰ)——Application of Embedded Atom Method to Study of Metal Clusters[J]. Chinese Journal of Chemical Physics , 1993, 6(4): 314-320.
Citation:
Liu Lei, Yang Weidong, Zi Jian, Chen Kaitai, Li Yufen. Structure and Cohesive Energy of Cu Clusters (Ⅰ)——Application of Embedded Atom Method to Study of Metal Clusters[J]. Chinese Journal of Chemical Physics , 1993, 6(4): 314-320.
Structure and Cohesive Energy of Cu Clusters (Ⅰ)——Application of Embedded Atom Method to Study of Metal Clusters
Based on the Embedded-Atom Method, we have performed a semiempirical calculation of structure and cohesive energy for (Cu)n (n=2,4,6-8,12,13) clusters. The results are in fairly good agreement with those calculated with ab initio methods. The cohesive energy is found to increase with the increasing number of average neighbour atoms.