The basis set superposition error (BSSE) and zeropointenergies (ZPE) corrections are absolutely necessary for the interaction energies of the clusters.
对所有多聚体分子间相互作用能的计算,进行基组叠加误差(BSSE)和零点能(ZPE)校正都是必要的。
2
All the binding energies have been corrected by the basis set superposition error (BSSE) and zeropointenergies (ZPE).