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SIE4x4 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 h h2+_1.0 1 -1 64.4 4.54 4.54 4.68
2 h h2+_1.25 1 -1 58.9 7.40 7.41 7.55
3 h h2+_1.5 1 -1 48.7 10.68 10.69 10.82
4 h h2+_1.75 1 -1 38.3 14.20 14.25 14.34
5 he he+ he2+_1.0 1 1 -1 56.9 22.40 22.40 22.44
6 he he+ he2+_1.25 1 1 -1 46.9 29.13 29.14 29.16
7 he he+ he2+_1.5 1 1 -1 31.3 36.74 36.80 36.77
8 he he+ he2+_1.75 1 1 -1 19.1 44.29 44.44 44.33
9 nh3 nh3+ nh32+_1.0 1 1 -1 35.9 7.25 8.39 8.32
10 nh3 nh3+ nh32+_1.25 1 1 -1 25.9 13.90 14.66 14.66
11 nh3 nh3+ nh32+_1.5 1 1 -1 13.4 19.92 20.39 20.37
12 nh3 nh3+ nh32+_1.75 1 1 -1 4.9 25.16 25.41 25.41
13 h2o h2o+ h2o2+_1.0 1 1 -1 39.7 14.15 15.11 14.80
14 h2o h2o+ h2o2+_1.25 1 1 -1 29.1 22.33 23.06 22.86
15 h2o h2o+ h2o2+_1.5 1 1 -1 16.9 29.36 29.81 29.73
16 h2o h2o+ h2o2+_1.75 1 1 -1 9.3 34.86 35.10 35.07
MD 21.02 21.35 21.33
MAD 21.02 21.35 21.33
RMSD 23.85 24.11 24.07