Fig. 3: Accuracy of the predicted screening parameters and KI@PBE eigenvalues for water with six different models.
From: Predicting electronic screening for fast Koopmans spectral functional calculations
The left-hand panels compare the predicted screening parameters against those computed ab initio (binned and colored by frequency). The right panels, meanwhile, show logarithmically scaled error histograms of the absolute error in the eigenvalues obtained using predicted screening parameters compared to eigenvalues obtained using the ab initio screening parameters. The blue lines show the corresponding cumulative distributions of these absolute errors.
