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RG18 results

Density functional: OPBE

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 -0.20 -0.01 -0.02
2 ar2 ar -1 2 0.27 -0.81 -0.08 -0.03
3 kr2 kr -1 2 0.40 -1.20 -0.04 -0.04
4 ne3 ne -1 3 0.27 -0.65 -0.12 -0.13
5 ar3 ar -1 3 0.77 -1.65 -0.03 0.14
6 kr3 kr -1 3 1.18 -2.64 0.08 0.22
7 ne4 ne -1 4 0.54 -1.31 -0.29 -0.30
8 ar4 ar -1 4 1.51 -3.40 -0.31 0.04
9 ne6 ne -1 6 1.13 -2.73 -0.64 -0.66
10 hfNe ne hf -1 1 1 0.23 -0.48 0.25 -0.02
11 hfAr ar hf -1 1 1 0.59 -1.00 0.27 0.04
12 hfKr kr hf -1 1 1 0.72 -1.28 0.24 0.04
13 c2h2Ne ne c2h2 -1 1 1 0.12 -0.33 -0.04 -0.00
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.81 -0.11 -0.01
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.61 -0.05 -0.04
16 c2h6Ar ar c2h6 -1 1 1 0.54 -1.22 -0.05 0.04
17 bzNe ne bz -1 1 1 0.40 -0.85 -0.13 -0.04
18 bzAr ar bz -1 1 1 1.12 -2.72 -0.34 -0.07
MD -1.33 -0.08 -0.05
MAD 1.33 0.17 0.10
RMSD 1.61 0.23 0.19