Chin. Phys. Lett.  1999, Vol. 16 Issue (4): 262-263    DOI:
Original Articles |
Theoretical Study of Na Clusters by First Principle Molecular Dynamics Calculations
SU Chang-rong1;ZHU Jie1;LI Jia-ming1,2;YANG Jin-long3
1Department of Physics, Center of Atomic and Molecular Sciences Tsinghua University, Beijing 100084 2Institute of Physics, Chinese Academy of Sciences, Beijing 100080 3Center of fundmental Physics, University of Science and Technology of China, Hefei 230026
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SU Chang-rong, ZHU Jie, LI Jia-ming et al  1999 Chin. Phys. Lett. 16 262-263
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Abstract Based on molecular dynamics simulations with first-principle forces, we have studied the Na clusters. Comparing with available high-precision experimental data (e.g., geometric structure of Na3), we then can assess validity of various first-principle theoretical methods. The first-principle molecular dynamics method is a powerful tool to study properties of clusters. Therefore, we can elucidate evolution of growth of Na clusters.
Keywords: 31.15.Ar      36.40.-c      61.46.+w     
Published: 01 April 1999
PACS:  31.15.Ar  
  36.40.-c (Atomic and molecular clusters)  
  61.46.+w  
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https://cpl.iphy.ac.cn/       OR      https://cpl.iphy.ac.cn/Y1999/V16/I4/0262
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