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.
用含时密度泛函理论TD DFT及组态相关CIS、含时td HF方法对菲的UV光谱进行了理论研究，在几何构型优化的基础上，计算了其垂直电子激发能。
The time-dependent DFT (TD-DFT), CIS and TD-HF studies have been performed on the UV-spectrum of phenanthrene. Based on the optimized geometries, the vertical excitation energies were calculated.
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。
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.
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