The basis set superposition error (BSSE) and zero point energies (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。
All the binding energies have been corrected by the basis set superposition error (BSSE) and zero point energies (ZPE).
在各基组下均进行基组叠加误差(BSSE)和零点能(ZPE)校正求得结合能。
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;
For dissociation energy, zero point vibration energy (ZPVE) is calculated and basis set superposition error (BSSE) is corrected by counterpoise method.
解离能计算进行了零点振动能(ZPVE)校正,并运用完全均衡校正法对基函数重叠误差(BSSE)进行校正。
Press the "reset" key and deletes the zero position error caused by the shift of the zero point in the sensor.
“清零”键,清除传感器因零点飘移而产生的零位误差。
The system can automatically compensate and calibrate the pressure sensor's zero point error, sensitivity error and thermal drift.
该系统能对压力传感器的零点误差、灵敏度误差和温度漂移进行自动的补偿校正。
Unified fixed point coordinate transformation (UFP-CT), and a novel zero steady-state error current control method for active power filter (APF) based on UFP-CT were proposed.
提出一种统一定点坐标变换和基于该变换的有源电力滤波器零稳态误差电流控制方法。
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;
There's a zero point and maxima in the relationship curve of beam-waist radius and measurement error.
光腰半径与测量误差的关系曲线出现一零值点和一极大值点。
There's a zero point and maxima in the relationship curve of beam-waist radius and measurement error.
光腰半径与测量误差的关系曲线出现一零值点和一极大值点。
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