The single exchange approxi-mation used for computing correlation corrections to exchange energy was found to be reasonable only in the region near the Van der Waals minimum distance of 0.42 nm for nitramide dimer. 用于计算交换能关联校正项的单对交换近似在硝酰胺二聚体的范德华最小距离0.42nm附近区域才较合理。
Theoretical Calculation of Electrostatic Energy and Exchange Energy between Two Interacting Nitramide Molecules 硝酰胺二聚体静电能和交换能的理论计算