The intermolecular interaction energy is calculated with MP2 electron correlation correction, basis set superposition error (BSSE) correction and zero point energy (ZPE) correction.
经MP2电子相关和基组叠加误差（BSSE）以及零点能（ZPE）校正，求得分子间相互作用能；
The potential energy surface with zero-point energy correction is drawn.
经过零点能校正后能位面被作了出来。
A probe of zero calibration, a two-point calibration function, the system error of automatic correction;
具有探头零点校准、两点校准功能， 可对系统误差进行自动修正；
A probe of zero calibration, a two-point calibration function, the system error of automatic correction;
具有探头零点校准、两点校准功能， 可对系统误差进行自动修正；
应用推荐