Bloch's theorem in orbital-density-dependent functionals: band structures fro...

Koopmans-compliant functionals provide a novel orbital-density-dependent framework for an accurate evaluation of spectral properties; they are obtained by imposing a generalized...

符合库普曼斯定理的泛函（Koopmans-compliant functionals）提供了一种新颖的依赖轨道密度的研究框架，可用于精准评估光谱特性；此类泛函通过施加广义化的……得到。