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Progress in Chemistry 2005, Vol. 17 Issue (04): 588-596 Previous Articles   Next Articles

• Review •

Interatomic Potential Function in Cluster Research

Cai Wensheng;Lin Yi;Shao Xueguang**   

  1. Department of Chemistry, University of Science and Technology of China,Hefei 230026,China
  • Received: Revised: Online: Published:
  • Contact: Shao Xueguang
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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.
Key words: cluster, interatomic potential function, optimization algorithm, molecular dynamics simulation

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