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.
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.
目前建议的经验教训为入门级的场景组态相互作用的对象，办法自定义模块摩卡元素各种。
And currently proposed set of lessons for the entry-level configuration interaction of objects in the scene, all sorts of ways to customize elements of the module MOCCA.
考虑了内壳层电子激发的组态相互作用后，采用R矩阵方法计算了电子碰撞类锂碳离子的共振激发碰撞强度。
The multichannel R-matrix code is employed to compute the collision strengths for electron-impact excitation of pentacid Mg ion.
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 。
The energy of electronic ground of BO and BO molecule has been calculated by means of configuration interaction method.
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.
从掺杂离子与缺陷的相互作用所造成的缺陷组态变化对该现象进行了解释。
The variation of defect configuration leads this result due to the interaction between doping ion and defects.
从掺杂离子与缺陷的相互作用所造成的缺陷组态变化对该现象进行了解释。
The variation of defect configuration leads this result due to the interaction between doping ion and defects.
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