Figure 3
Kernel density estimate plots for the S66x8 set using the CE-1p, CE-2p and CE-5p fits, the previous CE-B3LYP model and the six wavefunction sources used in this work (top to bottom): HF, LDA (SVWN5), BLYP, B3LYP, ωB97X, ωB97M-V, with RMSD values provided on the right-hand side of each plot. Each wavefunction source has been shifted on the y axis to facilitate visual inspection of the distributions. |