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- mask superposition error 掩模相互重合误差
- However, the energy difference obtained by such an approach will invariably be an overestimate of the true value.The discrepancy arises from a phenomenon known as basis set superposition error (BSSE). 很显然,使用较小的和不合适的基组(对离核较远的电子分布不能提供好的描述,特别是在非键相互作用最强的区域),BSSE会更明显。
- Basis set superposition error(BSSE) 基组重叠误差
- He wore a mask so that no one should recognize him. 他戴了一个面罩,使别人认不出他来。
- Sham is sham and the mask must be stripped off. 假的就是假的,伪装应当剥去。
- He overlooked a spelling error on the first page. 他没有看出第一页中有个拼写错误。
- He tried to mask his disappointment with a smile. 他试图以微笑来掩饰他的失望。
- The mask fitted tightly over his face. 他用面具把脸蒙得严严的。
- They did so under the mask of charity. 他们是打着慈善的幌子这么做的。
- He learned technical skills by trial and error. 他通过不断摸索掌握技能。
- Keywords Density Functional Theory (DFT);Equilibrium structure;Basis Set Superposition Error (BSSE);Interaction energy; 密度泛函理论(DFT);平衡结构;基组重叠误差(BSSE);相互作用能;
- The letter was addressed in error. 那封信的地址写错了。
- The map is in error regarding the junction. 这张地图在这个交点上是绘制错了。
- The accident was caused by human error. 这宗事故是人为过失造成的。
- I sent the letter to my brother in error. 我错把信寄给我弟弟了。
- Such feelings tend to remain submerge beneath a mask of social politeness. 在社交礼貌的掩盖下,这样的情感往往不会显露出来。
- That error stemmed from carelessness. 那个错误是由于粗枝大叶而造成的。
- The editor over looked a print error. 这位编辑漏掉了一个印刷错误。
- Her sociable manner is really a mask for a very shy nature. 她那好交际的作风,实际上是她腼腆天性的伪装。
- For a moment his mask of benevolence fell and the real man was revealed. 一刹那间,他慈善的假面扔掉,露出了他的真面目。