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RG18 results

Density functional: PKZB

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)
1 ne2 ne -1 2 0.08 0.04 0.14
2 ar2 ar -1 2 0.27 -0.32 -0.01
3 kr2 kr -1 2 0.40 -0.59 -0.16
4 ne3 ne -1 3 0.27 0.10 0.39
5 ar3 ar -1 3 0.77 -0.57 0.14
6 kr3 kr -1 3 1.18 -1.28 -0.26
7 ne4 ne -1 4 0.54 0.25 0.80
8 ar4 ar -1 4 1.51 -1.19 0.19
9 ne6 ne -1 6 1.13 0.42 1.56
10 hfNe ne hf -1 1 1 0.23 -0.05 0.32
11 hfAr ar hf -1 1 1 0.59 -0.51 0.20
12 hfKr kr hf -1 1 1 0.72 -0.75 0.14
13 c2h2Ne ne c2h2 -1 1 1 0.12 -0.01 0.15
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.34 0.01
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.03 0.28
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.45 0.13
17 bzNe ne bz -1 1 1 0.40 -0.06 0.34
18 bzAr ar bz -1 1 1 1.12 -1.15 -0.02
MD -0.36 0.24
MAD 0.45 0.29
RMSD 0.60 0.46