The energy of electronic ground of BO and BO molecule has been calculated by means of configuration interaction method.
采用组态相互作用方法，从理论上计算了BO及BO ~-分子基电子态的能量。
The energy of electronic ground of BO and BO molecule has been calculated by means of configuration interaction method.
分子轨道理论中的组态相互作用是一种简单直接的电子相关能计算方法 ，显然这一方法可以应用于价键方法中 。
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.
在此基础上采用单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，所得结果与实验值变化趋势基本吻合。
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，进行单激发组态相互作用(CIS)计算。
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，进行单激发组态相互作用(CIS)计算。
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