alias | functionals | Ref |
B | B88 | [1] |
B-LYP | B88 + LYP | |
B-P | B88 + P86 | |
B-VWN | B88 + VWN5 | |
B3LYP | 0.2d0 EXACT + 0.72d0 B88 + 0.08d0 DIRAC + 0.81d0 LYP + 0.19d0 VWN5 | |
B3LYP3 | 0.2d0 EXACT + 0.72d0 B88 + 0.08d0 DIRAC + 0.81d0 LYP + 0.19d0 VWN3 | |
B3LYP5 | 0.2d0 EXACT + 0.72d0 B88 + 0.08d0 DIRAC + 0.81d0 LYP + 0.19d0 VWN5 | |
B88X | B88 | [1] |
B97 | 0.1943d0 EXACT + B97DF | |
B97R | 0.21d0 EXACT + B97RDF | |
BECKE | B88 | [1] |
BH-LYP | 0.5d0 EXACT + 0.5d0 B88 + LYP | |
CS | CS1 | |
D | DIRAC | |
HFB | B88 | [1] |
HFS | DIRAC | |
LDA | DIRAC + VWN5 | |
LSDAC | PW92C | [2] |
LSDC | PW92C | [2] |
LYP88 | LYP | |
PBE | PBEX + PBEC | [3] |
PBE0 | 0.25d0 EXACT + 0.75d0 PBEX + PW91C | [4] |
PBEREV | PBEXREV + PBEC | |
PW91 | PW91X + PW91C | [5] |
S | DIRAC | |
S-VWN | DIRAC + VWN5 | |
SLATER | DIRAC | |
VS99 | VSXC | |
VWN | VWN5 | |
VWN80 | VWN5 |
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