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RG18 results

Density functional: TPSS1KCIS

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 0.01 0.10 0.07
2 ar2 ar -1 2 0.27 -0.24 0.18 0.17
3 kr2 kr -1 2 0.40 -0.41 0.34 0.31
4 ne3 ne -1 3 0.27 -0.03 0.23 0.17
5 ar3 ar -1 3 0.77 -0.57 0.35 0.40
6 kr3 kr -1 3 1.18 -1.09 0.66 0.62
7 ne4 ne -1 4 0.54 -0.07 0.42 0.31
8 ar4 ar -1 4 1.51 -1.30 0.46 0.57
9 ne6 ne -1 6 1.13 -0.23 0.78 0.56
10 hfNe ne hf -1 1 1 0.23 0.04 0.42 0.16
11 hfAr ar hf -1 1 1 0.59 -0.14 0.50 0.24
12 hfKr kr hf -1 1 1 0.72 -0.16 0.59 0.40
13 c2h2Ne ne c2h2 -1 1 1 0.12 -0.02 0.12 0.14
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.29 0.09 0.16
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.11 0.17 0.14
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.46 0.17 0.18
17 bzNe ne bz -1 1 1 0.40 -0.25 0.12 0.18
18 bzAr ar bz -1 1 1 1.12 -1.25 0.07 0.19
MD -0.37 0.32 0.28
MAD 0.37 0.32 0.28
RMSD 0.55 0.38 0.32