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RG18 results

Density functional: PBE

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 0.05 0.15 0.11
2 ar2 ar -1 2 0.27 -0.16 0.07 0.09
3 kr2 kr -1 2 0.40 -0.33 0.01 0.04
4 ne3 ne -1 3 0.27 0.08 0.36 0.25
5 ar3 ar -1 3 0.77 -0.41 0.21 0.24
6 kr3 kr -1 3 1.18 -0.81 0.10 0.15
7 ne4 ne -1 4 0.54 0.09 0.64 0.43
8 ar4 ar -1 4 1.51 -0.87 0.34 0.39
9 ne6 ne -1 6 1.13 0.11 1.24 0.81
10 hfNe ne hf -1 1 1 0.23 0.17 0.39 0.28
11 hfAr ar hf -1 1 1 0.59 0.13 0.44 0.38
12 hfKr kr hf -1 1 1 0.72 0.17 0.50 0.49
13 c2h2Ne ne c2h2 -1 1 1 0.12 0.04 0.22 0.18
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.19 0.17 0.14
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.02 0.32 0.20
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.33 0.26 0.15
17 bzNe ne bz -1 1 1 0.40 -0.16 0.29 0.19
18 bzAr ar bz -1 1 1 1.12 -0.98 0.11 0.05
MD -0.19 0.32 0.26
MAD 0.28 0.32 0.26
RMSD 0.41 0.42 0.32