A WTMAD for any method assessed with the GMTKN24 database can be calculated as follows: WTMAD formula.
Below, WTMADs for a variety of different density functionals without (DFT) and with an empirical London dispersion correction (DFT-D)
are shown. All values are based on calculations with the (aug-)def2-QZVP basis sets and are given in kcal/mol.
| Functional | DFT | DFT-D |
|---|---|---|
| BLYP | 7.6 | 5.3 |
| oBLYP | 6.8 | 5.3 |
| mPWLYP | 6.8 | 5.6 |
| oPWLYP | 6.8 | 5.3 |
| PBE | 6.2 | 5.9 |
| oPBE | 6.6 | 4.9 |
| TPSS | 5.8 | 5.0 |
| oTPSS | 5.5 | 4.0 |
| B3LYP | 5.4 | 3.6 |
| B2PLYP | 3.0 | 2.0 |