Hartree-Fock Exchange of DFT Functionals
Global Hybrid Functionals
| Functional | HF Exchange / % |
|---|---|
| GGA meta-GGA | 0 |
| TPSSh r2SCANh | 10 |
| O3LYP | 11.61 |
| TPSS1KCIS | 13 |
| MPW1KCIS | 15 |
| (hybrid) B97 | 19.43 |
| B3LYP B3P86 B3PW91 | 20 |
| B97-1 B97-2 HCTH93 | 21 |
| MPW3LYP X3LYP | 21.8 |
| PBE1KCIS | 22 |
| APFD | 23 |
| PBE0 TPSS0 SCAN0 r2SCAN0 B1B95 mPW1PW91 | 25 |
| M06 | 27 |
| PW6B95 M05 | 28 |
| MPW1B95 | 31 |
| PBE0-1/3 | 33.33 |
| PBE38 | 37.5 |
| BB1K BMK | 42 |
| MPW1K | 42.8 |
| MPWB1K | 44 |
| MN15 | 44 |
| PWB6K | 46 |
| BHandHLYP PBE50 r2SCAN50 | 50 |
| M08-HX | 52.23 |
| M06-2X | 54 |
| M05-2X | 56 |
| M08-SO | 56.79 |
| M06-HF | 100 |
Range Separated Functionals
| Functional | Short Range / % | Long Range / % | ω |
|---|---|---|---|
| LC-ωPBE | 0 | 100 | 0.4 |
| LC-PBE0 | 25 | 100 | 0.3 |
| ωB97 | 0 | 100 | 0.4 |
| ωB97X | 15.77 | 100 | 0.3 |
| ωB97XD | 22.2 | 100 | 0.2 |
| ωB97X-D3(0) | 19.57 | 100 | 0.25 |
| ωB97X-V | 16.7 | 100 | 0.3 |
| ωB97M-V | 15 | 100 | 0.3 |
| CAM-B3LYP | 19 | 65 | 0.33 |
| M11 | 42.8 | 100 | 0.25 |
| HSE03 HSE06 MN12-SX N12-SX | 25 | 0 |
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