Table 1. Functionals Assessed in the Benchmark Calculations.
| functional | exchange | correlation | class | spin scaling | number of parameters | ref |
|---|---|---|---|---|---|---|
| RS-PBE-P86/SCS-ADC(2) | PBE | P86 | RS-DH | yes | 4 | (51) |
| RS-PBE-P86/SOS-ADC(2) | PBE | P86 | RS-DH | yes | 3 | (51) |
| RS-PBE-P86/SCS-CIS(D) | PBE | P86 | RS-DH | yes | 4 | (50) |
| RS-PBE-P86/SOS-CIS(D) | PBE | P86 | RS-DH | yes | 3 | (50) |
| SCS-ωPBEPP86 | PBE | P86 | LC-DH | yes | 7 | (54) |
| SOS-ωPBEPP86 | PBE | P86 | LC-DH | yes | 5 | (54) |
| SCS-ωB88PP86 | B88 | P86 | LC-DH | yes | 7 | (54) |
| SOS-ωB88PP86 | B88 | P86 | LC-DH | yes | 5 | (54) |
| SCS-ωB2GPPLYP | B88 | LYP | LC-DH | yes | 7 | (54) |
| SOS-ωB2GPPLYP | B88 | LYP | LC-DH | yes | 5 | (54) |
| SOS-RSX-QIDH | PBE | PBE | LC-DH | yes | 4 | (119) |
| SOS-RSX-QIDH2 | PBE | PBE | LC-DH | yes | 5 | (54) |
| RSX-QIDH | PBE | PBE | LC-DH | no | 3 | (48) |
| ωB2GPPLYP | B88 | LYP | LC DH | no | 3 | (52) |
| SCS-PBE-QIDH | PBE | PBE | global DH | yes | 6 | (54) |
| SOS-PBE-QIDH | PBE | PBE | global DH | yes | 4 | (54) |
| DSD-PBEP86 | PBE | P86 | global DH | yes | 4 | (118) |
| PBE0-2 | PBE | PBE | global DH | no | 2 | (117) |
| PBE-QIDH | PBE | PBE | global DH | no | 2 | (116) |
| B2GPPLYP | B88 | LYP | global DH | no | 2 | (115) |
| CAM-B3LYP | B88 | LYP | LC hybrid | N/A | 3 | (35) |
| CAMh-B3LYP | B88 | LYP | LC hybrid | N/A | 3 | (113) |
| ωB97X | B97 | B97 | LC hybrid | N/A | 17 | (36) |
| ωB97X-D | B97 | B97 | LC hybrid | N/A | 18 | (114) |