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the poll
rules
latest edition
news-item
Blog entry Nature Chemistry
functionals
list
results
references
reviews/perspectives
organizers
Marcel Swart
Matthias Bickelhaupt
Miquel Duran
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We are using FillOut for our poll

Results for the 2025 edition of the Annual DFT Popularity Poll: Primera Divisió

  functional like   neutral   hate   blanc   none   #votes   points average
1 PBE1PBE 112 63.3 % 32 18.1 % 10 5.6 % 11 6.2 % 165 93.2 % 12 6.8 % 358 2.02
2 PBE 105 59.3 % 44 24.9 % 14 7.9 % 7 4.0 % 170 96.0 % 7 4.0 % 345 1.95
3 wB97X-D 81 45.8 % 49 27.7 % 11 6.2 % 22 12.4 % 163 92.1 % 14 7.9 % 281 1.59
4 PBE-D 59 33.3 % 63 35.6 % 15 8.5 % 23 13.0 % 160 90.4 % 17 9.6 % 225 1.27
5 wB97M-V 59 33.3 % 55 31.1 % 11 6.2 % 33 18.6 % 158 89.3 % 19 10.7 % 221 1.25
6 r2SCAN-3c 58 32.8 % 49 27.7 % 16 9.0 % 36 20.3 % 159 89.8 % 18 10.2 % 207 1.17
7 wB97X-V 53 29.9 % 60 33.9 % 12 6.8 % 34 19.2 % 159 89.8 % 18 10.2 % 207 1.17
8 B3LYP 71 40.1 % 41 23.2 % 49 27.7 % 8 4.5 % 169 95.5 % 8 4.5 % 205 1.16
9 CAM-B3LYP 59 33.3 % 49 27.7 % 24 13.6 % 27 15.3 % 159 89.8 % 18 10.2 % 202 1.14
10 r2SCAN-D4 47 26.6 % 55 31.1 % 17 9.6 % 40 22.6 % 159 89.8 % 18 10.2 % 179 1.01
11 B3LYP-D 50 28.2 % 60 33.9 % 32 18.1 % 21 11.9 % 163 92.1 % 14 7.9 % 178 1.01
12 TPSSh 40 22.6 % 58 32.8 % 21 11.9 % 37 20.9 % 156 88.1 % 21 11.9 % 157 0.89
13 M06-2X 55 31.1 % 39 22.0 % 49 27.7 % 20 11.3 % 163 92.1 % 14 7.9 % 155 0.88
14 BP86 32 18.1 % 69 39.0 % 22 12.4 % 35 19.8 % 158 89.3 % 19 10.7 % 143 0.81
15 B97M-V 29 16.4 % 62 35.0 % 14 7.9 % 51 28.8 % 156 88.1 % 21 11.9 % 135 0.76
16 B97-3c 24 13.6 % 63 35.6 % 13 7.3 % 58 32.8 % 158 89.3 % 19 10.7 % 122 0.69
17 B2PLYP 19 10.7 % 77 43.5 % 23 13.0 % 41 23.2 % 160 90.4 % 17 9.6 % 111 0.63
18 DSD-PBEP86 16 9.0 % 62 35.0 % 21 11.9 % 58 32.8 % 157 88.7 % 20 11.3 % 89 0.50
19 M06 28 15.8 % 50 28.2 % 59 33.3 % 24 13.6 % 161 91.0 % 16 9.0 % 75 0.42
20 B97-D 6 3.4 % 67 37.9 % 20 11.3 % 64 36.2 % 157 88.7 % 20 11.3 % 65 0.37
total number of participants: 177