BSSE的意思
「BSSE」經常作為「Basis Set Superposition Error」的縮寫來使用,中文意思:「基組重疊誤差」。
BSSE(基組重疊誤差)詳細解釋
- 英文縮寫詞:BSSE
- 英文單詞:Basis Set Superposition Error
- 中文簡要解釋:基組重疊誤差
- 分類:Miscellaneous
- 領域:Unclassified
英文縮寫BSSE的擴展資料
- 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,并運用完全均衡校正法對基函數重疊誤差(BSSE)進行校正。
- To improve accuracy, the zero point vibration energy was corrected in all energy calculations and the basis set superposition error was corrected in the calculation of dissociation energy.為提高計算精度,能量計算進行了零點振動能(ZPVE)校正,解離能的計算還進行了基組重疊誤差(BSSE)(BSSE)校正。
- In addition, the basis set problems with the calculation of intermolecular interactions are discussed, including basis set superposition error and the argument about counterpoise procedure and basis set saturation.此外,闡述了分子間作用計算中所出現的基組問題,包括基組疊加誤差及其均衡校正方案(counterpoiseprocedure,CP)存在的爭議和基組飽和(basissetsaturation)問題。
- 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電子相關和基組疊加誤差(BSSE)以及零點能(ZPE)校正,求得分子間相互作用能;
- In all calculations we use the 6-31G ( d, p ) basis set. Basis set superposition error ( BSSE ) is corrected and the upper and lower limits of BSSE are determined for the water-water hydrogen bond energy.計算中選用6-31G(d,p)基組,分別用完全平衡校正和不完全校正法進行校正,這兩種方法給出了基組重疊誤差(BSSE)(BSSE)的上限和下限。