CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1992, Vol. 9 ›› Issue (S1): 512-514.
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Gong Xingao, Zheng Qingqi, Pan Wei
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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
Gong Xingao, Zheng Qingqi, Pan Wei. CALCULATION OF SYMMETRY COEFFICIENTS IN COMPLEX CLUSTER[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 1992, 9(S1): 512-514.
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http://www.cjcp.org.cn/EN/Y1992/V9/IS1/512