【basis_set_superposition_error】什么意思_英语basis_set_superposition_error的翻译_音标_读音_用法_例句_在线翻译

basis set superposition error 添加释义

abstract: In quantum chemistry, calculations using finite basis sets are susceptible to basis set superposition error (BSSE). As the atoms of interacting molecules (or of different parts of the same molecule) approach one another, their basis functions overlap.

以上来源于: WordNet

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。

youdao
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。

youdao
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。

youdao

更多双语例句

应用推荐

$firstVoiceSent

- 来自原声例句