Table 1. Functionals Assessed in the Benchmark Calculationsa.
| Functional | Exchange | Correlation | Class | Number of parameters | References |
|---|---|---|---|---|---|
| SCS-RS-PBE-P86 | PBE | P86 | RS DH | 4 | (90) |
| SOS-RS-PBE-P86 | PBE | P86 | RS DH | 3 | (90) |
| SCS-ωPBEPP86 | PBE | P86 | LC DH | 7 | (77) |
| SOS-ωPBEPP86 | PBE | P86 | LC DH | 5 | (77) |
| DSD-PBEP86 | PBE | P86 | global DH | 4 | (113) |
| PBE0-2 | PBE | PBE | global DH | 2 | (114) |
| SOS-PBE0-2 | PBE | PBE | global DH | 3 | (115) |
| PBE-QIDH | PBE | PBE | global DH | 2 | (116) |
| B2GPPLYP | B88 | LYP | global DH | 2 | (117) |
| ωB97X-D | B97 | B97 | LC hybrid | 18 | (118) |
| CAM-B3LYP | B88 | LYP | LC hybrid | 3 | (119) |
| PBE0 | PBE | PBE | global hybrid | 1 | (120) |