Results for the 2016 edition of the Annual DFT Popularity Poll: 3. Chiroptical properties
functional | love (++) | like (+) | neutral (0) | dislike (-) | hate (--) | #votes | points | average | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | CAM-B3LYP | 3 | 3.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 5 | 5.1 % | 10 | 0.10 |
2 | LDA | 3 | 3.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 4 | 4.0 % | 8 | 0.08 |
3 | TPSSh | 2 | 2.0 % | 2 | 2.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 5 | 5.1 % | 8 | 0.08 |
4 | LB94 | 2 | 2.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 3 | 3.0 % | 6 | 0.06 |
5 | PBE0 | 2 | 2.0 % | 1 | 1.0 % | 2 | 2.0 % | 1 | 1.0 % | 0 | 0.0 % | 6 | 6.1 % | 6 | 0.06 |
6 | LC-wPBE | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 3 | 0.03 |
7 | MVS | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 3 | 0.03 |
8 | PW91 | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 3 | 0.03 |
9 | S12g | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 3 | 0.03 |
10 | SAOP | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 3 | 0.03 |
11 | PBE | 1 | 1.0 % | 1 | 1.0 % | 1 | 1.0 % | 2 | 2.0 % | 0 | 0.0 % | 5 | 5.1 % | 2 | 0.02 |
12 | M06-2X | 0 | 0.0 % | 1 | 1.0 % | 4 | 4.0 % | 0 | 0.0 % | 0 | 0.0 % | 5 | 5.1 % | 1 | 0.01 |
13 | PW6B95 | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 1 | 0.01 |
14 | PWPB95-D3 | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 1 | 0.01 |
15 | SSB-D | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 1 | 0.01 |
16 | BHandH | 0 | 0.0 % | 1 | 1.0 % | 2 | 2.0 % | 1 | 1.0 % | 0 | 0.0 % | 4 | 4.0 % | 0 | 0.00 |
17 | DSD-BLYP | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
18 | DSD-PBEP86 | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
19 | HSE | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
20 | LC-PBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.00 |
21 | mPW1K | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
22 | OLYP | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
23 | optB88-vdW | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
24 | revPBE | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
25 | revTPSS-D | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
26 | RPBE | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
27 | S12h | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.00 |
28 | SCAN | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
29 | revTPSS | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 2 | 2.0 % | -1 | -0.01 |
30 | RPA | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 2 | 2.0 % | -1 | -0.01 |
31 | wB97X-D | 0 | 0.0 % | 1 | 1.0 % | 2 | 2.0 % | 0 | 0.0 % | 1 | 1.0 % | 4 | 4.0 % | -2 | -0.02 |
32 | M06-L | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 3 | 3.0 % | -2 | -0.02 |
33 | B3PW91 | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 2 | 2.0 % | -3 | -0.03 |
34 | B97-D | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 2 | 2.0 % | -3 | -0.03 |
35 | BP86 | 0 | 0.0 % | 0 | 0.0 % | 3 | 3.0 % | 0 | 0.0 % | 1 | 1.0 % | 4 | 4.0 % | -3 | -0.03 |
36 | M06 | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.0 % | 1 | 1.0 % | 3 | 3.0 % | -3 | -0.03 |
37 | MN12L | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 2 | 2.0 % | -3 | -0.03 |
38 | B2PLYP | 0 | 0.0 % | 2 | 2.0 % | 1 | 1.0 % | 0 | 0.0 % | 2 | 2.0 % | 5 | 5.1 % | -4 | -0.04 |
39 | APBE | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 1 | 1.0 % | 2 | 2.0 % | 5 | 5.1 % | -7 | -0.07 |
40 | B3LYP-D | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 3 | 3.0 % | 4 | 4.0 % | -9 | -0.09 |
41 | BLYP | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.0 % | 3 | 3.0 % | 5 | 5.1 % | -9 | -0.09 |
42 | B3LYP | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 1 | 1.0 % | 3 | 3.0 % | 6 | 6.1 % | -10 | -0.10 |
total number of participants: 99 |