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中国物理学会期刊

DV-X2计算红宝石的晶场谱

CSTR: 32037.14.aps.39.1835

DV-X2 CALCULATIONS FOR THE CRYSTAL-FIELD SPECTRA OF RUBY

CSTR: 32037.14.aps.39.1835
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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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