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本文利用文献中的一种DV-X2计算过渡金属络合物的晶场谱的方法,非经验计算红宝石的全部晶场跃迁光谱项能量,得到了与实验值较一致的结果。Using a DV-X2 method of calculating the crystal-field spectra of transition-metal complexes in [1] , we calculated all the crystal-field transition energies of ruby non-empirecally. The results obtained are in good agreement with the experimental data.
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