B3LYP
po文清單文章推薦指數： 80 %
關於「B3LYP」標籤，搜尋引擎有相關的訊息討論：
延伸文章資訊
- 1Performance of B3LYP Density Functional Methods for a ...
Among the ever increasing number of DFT methods, the hybrid functional B3LYP,3 first developed to...
- 2Can B3LYP be improved by optimization of the proportions of ...
B3LYP is the most famous hybrid density functional theory model, which includes Hartree–Fock exch...
- 3What does B3LYP do well? What does it do badly?
The main issue of B3LYP in such systems, is that it is hybrid functional, which are extremely exp...
- 4Hybrid functional - Wikipedia
The three parameters defining B3LYP have been taken without modification from Becke's original fi...
- 5An improved B3LYP method in the calculation of organic ...
The B3LYP hybrid density functional has been used for decades but its three empirical parameters ...
