CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1992, Vol. 9 ›› Issue (S1): 512-514.

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CALCULATION OF SYMMETRY COEFFICIENTS IN COMPLEX CLUSTER

Gong Xingao, Zheng Qingqi, Pan Wei   

  1. Institute of Solid State Physics, Academia Sinica, Hefei, 230031
  • Received:1992-04-22 Online:1992-12-31 Published:1992-12-31

Abstract: 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.

Key words: group theory, DV-Xα, C60 molecule, complex cluster