Koopmans-Compliant Functionals and Potentials and Their Application to the GW...

Koopmans-compliant (KC) functionals have been shown to provide accurate spectral properties through a generalized condition of piecewise linearity of the total energy as a...满足库普曼斯条件（Koopmans-compliant，缩写KC）的泛函，已被证实可通过总能量分段线性性的广义条件，提供精准的光谱特性……