• The energy of electronic ground of BO and BO molecule has been calculated by means of configuration interaction method.

    采用相互作用方法,从理论上计算了BOBO ~-分子基电子能量

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  • The energy of electronic ground of BO and BO molecule has been calculated by means of configuration interaction method.

    分子轨道理论中的相互作用一种简单直接电子相关计算方法 ,显然一方法可以应用于价键方法中 。

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  • On this basis, the electronic spectra have been calculated by a single-excitation configuration interaction(CIS) method. Tie calculated(results) are consistent with experimental values on the whole.

    基础上采用激发态组态相互作用CIS方法计算了它们的荧光激发波长及强度,所得结果实验值变化趋势基本吻合

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  • Based on such calculations, the single excited configuration interaction (CIS) method was performed to calculate the excited states related to absorptions.

    以基态几何为基础,进行激发组态相互作用(CIS)计算

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  • Based on such calculations, the single excited configuration interaction (CIS) method was performed to calculate the excited states related to absorptions.

    以基态几何为基础,进行激发组态相互作用(CIS)计算

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