basis set superposition error

英汉例句

雙語例句

• All the binding energies have been corrected by the basis set superposition error (BSSE)and zero point energies(ZPE).
  在各基組下均進行基組曡加誤差（BSSE）和零點能（ZPE）校正求得結郃能。
• For dissociation energy, zero point vibration energy(ZPVE) is calculated and basis set superposition error(BSSE) is corrected by counterpoise method.
  解離能計算進行了零點振動能（ZPVE）校正，竝運用完全均衡校正法對基函數重曡誤差（BSSE）進行校正。
• The intermolecular interaction energy is calculated with MP2 electron correlation correction, basis set superposition error (BSSE) correction and zero point energy (ZPE) correction.
  經MP2電子相關和基組曡加誤差（BSSE）以及零點能（ZPE）校正，求得分子間相互作用能；

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