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RG18 results

Density functional: PBE0

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 0.08 0.05
2 ar2 ar -1 2 0.27 -0.23 0.01 0.03
3 kr2 kr -1 2 0.40 -0.39 -0.02 0.00
4 ne3 ne -1 3 0.27 -0.07 0.18 0.09
5 ar3 ar -1 3 0.77 -0.56 0.02 0.11
6 kr3 kr -1 3 1.18 -0.97 -0.03 0.06
7 ne4 ne -1 4 0.54 -0.17 0.32 0.13
8 ar4 ar -1 4 1.51 -1.13 0.01 0.18
9 ne6 ne -1 6 1.13 -0.41 0.62 0.23
10 hfNe ne hf -1 1 1 0.23 0.04 0.26 0.13
11 hfAr ar hf -1 1 1 0.59 -0.05 0.29 0.18
12 hfKr kr hf -1 1 1 0.72 -0.05 0.32 0.25
13 c2h2Ne ne c2h2 -1 1 1 0.12 -0.04 0.14 0.10
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.26 0.09 0.09
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.12 0.20 0.09
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.42 0.13 0.07
17 bzNe ne bz -1 1 1 0.40 -0.25 0.19 0.11
18 bzAr ar bz -1 1 1 1.12 -1.02 0.01 0.05
MD -0.34 0.16 0.11
MAD 0.34 0.16 0.11
RMSD 0.49 0.22 0.13