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MOLECULAR-DYNAMICS STUDY ON SMALL SILICON CLUSTERS
Gong Xingao, Zheng Qingqi, He Yizhen
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    1992, 9 (S2): 721-722.  
Abstract231)      PDF (148KB)(887)      
By use of molecular-dynamics and simulated annealing technique, we have studied the structural properties of Sin cluster at zero and high temperature. The results are in good agreement with ab-initio calculations.
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CALCULATION OF SYMMETRY COEFFICIENTS IN COMPLEX CLUSTER
Gong Xingao, Zheng Qingqi, Pan Wei
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    1992, 9 (S1): 512-514.  
Abstract245)      PDF (232KB)(978)      
A method to calculate the symmetry coefficents in quantum chemistry calculation is in-troduced, which is very useful for calculations of complex cluster. Some results of C60 molecule are aslo represented.
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