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RG18 results

Density functional: TPSS

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 ne2 ne -1 2 0.08 0.00 0.12 0.07
2 ar2 ar -1 2 0.27 -0.32 0.03 0.04
3 kr2 kr -1 2 0.40 -0.56 -0.03 -0.02
4 ne3 ne -1 3 0.27 -0.07 0.29 0.14
5 ar3 ar -1 3 0.77 -0.71 0.18 0.19
6 kr3 kr -1 3 1.18 -1.30 0.07 0.11
7 ne4 ne -1 4 0.54 -0.19 0.50 0.23
8 ar4 ar -1 4 1.51 -1.63 0.11 0.13
9 ne6 ne -1 6 1.13 -0.47 0.97 0.41
10 hfNe ne hf -1 1 1 0.23 -0.00 0.32 0.13
11 hfAr ar hf -1 1 1 0.59 -0.18 0.29 0.16
12 hfKr kr hf -1 1 1 0.72 -0.20 0.30 0.22
13 c2h2Ne ne c2h2 -1 1 1 0.12 -0.06 0.16 0.12
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.36 0.11 0.09
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.17 0.23 0.10
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.57 0.20 0.08
17 bzNe ne bz -1 1 1 0.40 -0.34 0.19 0.12
18 bzAr ar bz -1 1 1 1.12 -1.44 0.03 -0.02
MD -0.48 0.23 0.13
MAD 0.48 0.23 0.13
RMSD 0.68 0.32 0.16