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本文利用非自由态离子的标度径向理论给出了非自由态Cu(Ⅱ)的3d径向波函数,讨论了Jahn-Teller效应对非自由度的影响。计算了一些Cu(Ⅱ)络合物的d-d电子光谱和g-因子,计算结果与实验值较为一致。
In this paper, we give the 3D radial wave function of non-free state Cu (Ⅱ) using the scale radial theory of non-free state ions and discuss the effect of Jahn-Teller effect on the degree of non-degree of freedom. The d-d electron spectra and g-factors of some Cu (Ⅱ) complexes have been calculated, and the calculated results are consistent with the experimental values.