basis set superposition error

英漢例句

雙語(yǔ)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(jìn)行基組疊加誤差（BSSE）和零點(diǎn)能（ZPE）校正求得結(jié)合能。
• 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(jì)算進(jìn)行了零點(diǎn)振動(dòng)能（ZPVE）校正，并運(yùn)用完全均衡校正法對(duì)基函數(shù)重疊誤差（BSSE）進(jìn)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(jīng)MP2電子相關(guān)和基組疊加誤差（BSSE）以及零點(diǎn)能（ZPE）校正，求得分子間相互作用能；

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