The effect of counterpoise ( cp ) correction mehtod to the bsse [ color = red ] has been taken into account [ / color ] 大意是： cp这种方法对于基组误差修正的影响已经被考虑。
2.
The adsorption energies of molecules ( water and nitrogen monoxide ) on tatb ( 001 ) surface after basis sets superposition error ( bsse ) have been presented for the first time . the changes of band structures and electronic structures of tatb before and after adsorptions were 经基组叠加误差( bsse )校正，求得1谈jb的表面能以及hzo和no分子在1丫口， b ( 001 )面的吸附能;重点讨论了吸附前后1丫汀b能带和电子结构的变化。
