| alias | functionals | factors | Ref |
| B | B88 | 1 | doi:10.1103/PhysRevA.38.3098 |
| B-LYP | B88:LYP | 1:1 | |
| B-P | B88:P86 | 1:1 | |
| B-VWN | B88:VWN5 | 1:1 | |
| B3LYP | EXACT:B88:DIRAC:LYP:VWN5 | 0.2:0.72:0.08:0.81:0.19 | |
| B3LYP3 | EXACT:B88:DIRAC:LYP:VWN3 | 0.2:0.72:0.08:0.81:0.19 | |
| B3LYP5 | EXACT:B88:DIRAC:LYP:VWN5 | 0.2:0.72:0.08:0.81:0.19 | |
| B88X | B88 | 1 | doi:10.1103/PhysRevA.38.3098 |
| B97 | EXACT:B97DF | 0.1943:1 | |
| B97R | EXACT:B97RDF | 0.21:1 | |
| BECKE | B88 | 1 | doi:10.1103/PhysRevA.38.3098 |
| BH-LYP | EXACT:B88:LYP | 0.5:0.5:1 | |
| CS | CS1 | 1 | |
| D | DIRAC | 1 | |
| HFB | B88 | 1 | doi:10.1103/PhysRevA.38.3098 |
| HFS | DIRAC | 1 | |
| LDA | DIRAC:VWN5 | 1:1 | |
| LSDAC | PW92C | 1 | doi:10.1103/PhysRevB.45.13244 |
| LSDC | PW92C | 1 | doi:10.1103/PhysRevB.45.13244 |
| LYP88 | LYP | 1 | |
| PBE | PBEX:PBEC | 1:1 | doi:10.1103/PhysRevLett.77.3865 |
| PBE0 | EXACT:PBEX:PBEC | 0.25:0.75:1 | doi:10.1063/1.478522 |
| PBE0MOL | EXACT:PBEX:PW91C | 0.25:0.75:1 | |
| PBEREV | PBEXREV:PBEC | 1:1 | |
| PW91 | PW91X:PW91C | 1:1 | doi:10.1103/PhysRevB.46.6671 |
| S | DIRAC | 1 | |
| S-VWN | DIRAC:VWN5 | 1:1 | |
| SLATER | DIRAC | 1 | |
| VS99 | VSXC | 1 | |
| VWN | VWN5 | 1 | |
| VWN80 | VWN5 | 1 |
molpro@molpro.net 2012-02-09