First-principles calculation o effective onsite Coulomb interaction of 3d transition metals : Constrained local density functional approach with maximally localized Wannier function
First-principles calculation o effective onsite Coulomb interaction of 3d transition metals : Constrained local density functional approach with maximally localized Wannier function
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3d 过渡金属有效现场库仑相互作用的第一原理计算:具有最大局域 Wannier 函数的约束局域密度泛函方法
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通讯作者:
Shinji Tsuneyuki
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作者:
Kazuma Nakamura;Ryotaro Arita;Yosihide Yosimoto;Shinji Tsuneyuki