Chem. J. Chinese Universities ›› 1989, Vol. 10 ›› Issue (12): 1229.
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Dou Yusheng, Wen Zhenyi, Liu Zhaomeng, Wang Yubin, Zhang Di
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Abstract: Aunitary group treatment for the strong-field model is discussed in this paper.All the formulas necessary for calculation of an octahedral symmetry field are geven and programed in IBM PC/ XT.The program has low storage requirement and reasonable speed.Energy parameters and eigen-functions obtained by fitting spectroscopy experiments are satisfactory, which will be used to calculate magnetic and other properties of complex compounds.
Key words: Ligand field calculation, Unitary group method, Microcomputer program
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Dou Yusheng, Wen Zhenyi, Liu Zhaomeng, Wang Yubin, Zhang Di . Unitary Group Calculus and Programing for Strong Ligand Field[J]. Chem. J. Chinese Universities, 1989, 10(12): 1229.
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