Active Learning the High-Dimensional Transferable Hubbard U and V Parameters in the DFT + U + V Scheme.
| Autor: | Yu, Wei, Zhang, Zhaofu, Wan, Xuhao, Guo, Hailing, Gui, Qingzhong, Peng, Yuan, Li, Yifei, Fu, Wenjie, Lu, Dingyi, Ye, Yuchen, Guo, Yuzheng |
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| Zdroj: | Journal of Chemical Theory & Computation; 9/26/2023, Vol. 19 Issue 18, p6425-6433, 9p |
| Databáze: | Supplemental Index |
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