• For dissociation energy, zero point vibration energy (ZPVE) is calculated and basis set superposition error (BSSE) is corrected by counterpoise method.

    计算进行了零点振动能(ZPVE)校正,运用完全均衡校正函数重叠误差(BSSE)进行校正。

    youdao

  • The intermolecular interaction energy is calculated with MP2 electron correlation correction, basis set superposition error (BSSE) correction and zero point energy (ZPE) correction.

    MP2电子相关基组叠加误差BSSE以及零点能(ZPE校正,求得分子相互作用能;

    youdao

  • The intermolecular interaction energy is calculated with MP2 electron correlation correction, basis set superposition error (BSSE) correction and zero point energy (ZPE) correction.

    MP2电子相关基组叠加误差BSSE以及零点能(ZPE校正,求得分子相互作用能;

    youdao

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