Table 14. The mean unsigned errors (MUE, in eV) of 60 selected methods for the vertical excitation energies of 30 valence, 39 Rydberg, and all 69 transitions.
| Name | X a | Valence | Rydberg | All states | Ref. for data | Ref. for method |
| MN15 | 44 | 0.29 | 0.24 | 0.26 | Present | Present |
| EOM-CCSD | WFT | 0.47 | 0.11 | 0.27 | 36 | 108 |
| M06-2X | 54 | 0.36 | 0.26 | 0.30 | 40 | 31 |
| ωB97X-D | 22.2–100 | 0.32 | 0.28 | 0.30 | 40 | 80 |
| MPWKCIS1K | 41 | 0.40 | 0.27 | 0.32 | 40 | 109 |
| PWB6K | 46 | 0.43 | 0.24 | 0.32 | 40 | 110 |
| CAM-B3LYP | 19–65 | 0.31 | 0.35 | 0.33 | 36 | 72 |
| MPW1K | 42.8 | 0.45 | 0.23 | 0.33 | 40 | 111 |
| MPWB1K | 44 | 0.40 | 0.28 | 0.33 | 40 | 112 |
| ωB97X | 15.77–100 | 0.40 | 0.28 | 0.33 | 40 | 79 |
| BMK | 42 | 0.33 | 0.39 | 0.36 | 36 | 84 |
| M05-2X | 52 | 0.37 | 0.35 | 0.36 | 36 | 113 |
| LC-ωPBE | 0–100 | 0.41 | 0.32 | 0.36 | 36 | 73–76 |
| B3P86 | 20 | 0.19 | 0.53 | 0.38 | 36 | 49, 50, 65 |
| SOGGA11-X | 40.15 | 0.46 | 0.34 | 0.39 | 40 | 71 |
| BH&H | 50 | 0.49 | 0.33 | 0.40 | 36 | 36 |
| ωB97 | 0–100 | 0.45 | 0.39 | 0.41 | 40 | 79 |
| M08-SO | 56.79 | 0.35 | 0.49 | 0.43 | 40 | 114 |
| BH&HLYP | 50 | 0.56 | 0.36 | 0.44 | 36 | 36 |
| LC-BLYP | 0–100 | 0.49 | 0.41 | 0.45 | 36 | 49, 51, 73 |
| M08-HX | 52.23 | 0.38 | 0.51 | 0.46 | 40 | 32 |
| M11 | 42.8–100 | 0.37 | 0.54 | 0.47 | 40 | 85 |
| CIS(D) | WFT | 0.50 | 0.49 | 0.49 | 36 | 115 |
| M06-HF | 100 | 0.56 | 0.44 | 0.49 | 40 | 116 |
| PBE0 | 25 | 0.22 | 0.80 | 0.55 | 36 | 66 |
| HSE | 25–0 | 0.21 | 0.82 | 0.56 | 36 | 117 |
| B3P86(VWN5) | 20 | 0.19 | 0.87 | 0.57 | 36 | 45, 49, 50, 65 |
| N12-SX | 25–0 | 0.26 | 0.85 | 0.59 | 40 | 33 |
| M05 | 26 | 0.24 | 0.90 | 0.62 | 36 | 118 |
| LC-HCTH/93 | 0–100 | 0.53 | 0.70 | 0.63 | 40 | 56, 73 |
| B3LYP | 20 | 0.20 | 1.03 | 0.67 | 36 | 49, 51, 65 |
| τ-HCTHhyb | 15 | 0.18 | 1.04 | 0.67 | 36 | 82 |
| LC-HCTH/147 | 0–100 | 0.53 | 0.85 | 0.71 | 40 | 56, 73 |
| LC-HCTH/407 | 0–100 | 0.53 | 0.85 | 0.71 | 40 | 56, 73 |
| LC-B97-D | 0–100 | 0.53 | 0.84 | 0.71 | 40 | 73, 121 |
| M06-L | 0 | 0.28 | 1.08 | 0.73 | 40 | 27 |
| TPSSh | 10 | 0.18 | 1.27 | 0.80 | 36 | 81 |
| LC-τ-HCTH | 0–100 | 0.54 | 1.00 | 0.80 | 40 | 73, 82 |
| LSDA | 0 | 0.45 | 1.20 | 0.88 | 36 | 7, 44, 45 |
| HCTH/147 | 0 | 0.38 | 1.26 | 0.88 | 40 | 56 |
| M06 | 27 | 0.30 | 1.33 | 0.88 | 40 | 31 |
| O3LYP | 11.61 | 0.20 | 1.47 | 0.92 | 36 | 69 |
| B97-D | 0 | 0.39 | 1.35 | 0.93 | 40 | 121 |
| VSXC | 0 | 0.24 | 1.54 | 0.97 | 36 | 59 |
| HCTH/93 | 0 | 0.38 | 1.45 | 0.99 | 40 | 56 |
| HCTH/407 | 0 | 0.34 | 1.51 | 1.00 | 36 | 56 |
| τ-HCTH | 0 | 0.32 | 1.53 | 1.00 | 36 | 82 |
| TDHF | WFT | 1.19 | 0.88 | 1.01 | 36 | 119 |
| LC-M06-L | 0–100 | 0.57 | 1.35 | 1.01 | 40 | 27, 73 |
| TPSS | 0 | 0.26 | 1.63 | 1.03 | 36 | 61 |
| CIS | WFT | 1.29 | 0.91 | 1.07 | 36 | 120 |
| BP86 | 0 | 0.38 | 1.62 | 1.08 | 36 | 49, 50 |
| BP86(VWN5) | 0 | 0.38 | 1.62 | 1.08 | 36 | 45, 49, 50 |
| PBE | 0 | 0.40 | 1.70 | 1.13 | 36 | 43 |
| BLYP | 0 | 0.40 | 1.88 | 1.23 | 36 | 49, 51 |
| MN12-L | 0 | 0.49 | 1.80 | 1.23 | 40 | 19 |
| M11-L | 0 | 0.35 | 1.93 | 1.24 | 40 | 63 |
| MN12-SX | 25–0 | 0.38 | 1.90 | 1.24 | 40 | 33 |
| N12 | 0 | 0.44 | 1.88 | 1.25 | 40 | 18 |
| OLYP | 0 | 0.36 | 1.97 | 1.27 | 36 | 51, 57 |
| SOGGA11 | 0 | 0.62 | 2.40 | 1.62 | 40 | 48 |
aWFT indicates wave function theory; other rows are density functional theory, and X is the percentage of Hartree–Fock exchange. When a range of X is indicated, the first value corresponds to small interelectronic separations, and the second to large interelectronic separations.