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CDIE20 results

Density functional: revTPSS

Reference values and deviations (result - reference) of the respective functional
w/o dispersion correction, D3(0) dispersion correction, and D3(BJ) dispersion correction in kcal/mol.

# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 R20 P20 -1 1 -3.3 2.27 2.06 2.12
2 R21 P20 -1 1 4.4 1.81 1.64 1.77
3 R22 P22 -1 1 -5.9 1.57 1.14 1.28
4 R25 P25 -1 1 -4.8 2.80 2.43 2.35
5 R26 P26 -1 1 -2.5 2.29 1.99 2.05
6 R28 P26 -1 1 4.0 1.91 1.68 1.81
7 R29 P25 -1 1 4.5 1.86 1.48 1.51
8 R40 P40 -1 1 1.7 0.69 0.94 0.95
9 R43 P43 -1 1 2.9 0.92 1.07 1.06
10 R44 P44 -1 1 3.7 1.94 1.54 1.58
11 R45 P45 -1 1 1.2 1.35 1.29 1.21
12 R46 P46 -1 1 3.7 1.73 1.25 1.28
13 R47 P47 -1 1 3.8 2.10 1.67 1.71
14 R48 P48 -1 1 4.4 2.00 1.37 1.38
15 R49 P49 -1 1 4.2 1.41 1.40 1.38
16 R51 P51 -1 1 1.6 0.83 1.17 1.03
17 R52 P52 -1 1 4.2 1.44 1.42 1.40
18 R56 P56 -1 1 5.9 1.44 1.40 1.43
19 R57 P51 -1 1 5.8 1.14 0.87 0.93
20 R60 P60 -1 1 8.6 1.80 1.39 1.51
MD 1.67 1.46 1.49
MAD 1.67 1.46 1.49
RMSD 1.74 1.51 1.54