basis set superposition error

英汉例句

双语例句

• 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。
• 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。
• 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；