Dataset of self-consistent Hubbard parameters for Ni, Mn and Fe from linear-r...
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Density-functional theory with extended Hubbard functionals (DFT+U+V) provides a robust framework to accurately describe complex materials containing transition-metal or...
引入扩展哈伯德泛函（extended Hubbard functionals）的密度泛函理论（Density-functional theory）+U+V方法，是一套可精准描述含过渡金属复杂材料的稳健理论框架……
