DFT+U in Dudarev’s formulation with corrected interactions between the electrons with opposite spins: The form of Hamiltonian, calculation of forces, and bandgap adjustments
DFT+U in Dudarev’s formulation with corrected interactions between the electrons with opposite spins: The form of Hamiltonian, calculation of forces, and bandgap adjustments
复制标题
杜达列夫公式中的 DFT+U，修正了具有相反自旋的电子之间的相互作用：哈密顿量的形式、力的计算和带隙调整
DOI：
10.1063/1.5090445
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发表时间：
2019
期刊：
影响因子：
--
通讯作者：
Sato H.
中科院分区：
文献类型：
--
作者：
Shishkin M.;Sato H.
