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RG18 results

Density functional: B98

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 0.09 0.06
2 ar2 ar -1 2 0.27 -0.18 0.21 0.17
3 kr2 kr -1 2 0.40 -0.32 0.36 0.27
4 ne3 ne -1 3 0.27 -0.04 0.20 0.13
5 ar3 ar -1 3 0.77 -0.47 0.37 0.36
6 kr3 kr -1 3 1.18 -0.86 0.74 0.56
7 ne4 ne -1 4 0.54 -0.08 0.35 0.25
8 ar4 ar -1 4 1.51 -1.06 0.54 0.54
9 ne6 ne -1 6 1.13 -0.24 0.65 0.46
10 hfNe ne hf -1 1 1 0.23 0.06 0.40 0.16
11 hfAr ar hf -1 1 1 0.59 -0.03 0.55 0.29
12 hfKr kr hf -1 1 1 0.72 -0.03 0.65 0.43
13 c2h2Ne ne c2h2 -1 1 1 0.12 -0.01 0.11 0.14
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.21 0.13 0.18
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.09 0.14 0.13
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.36 0.19 0.20
17 bzNe ne bz -1 1 1 0.40 -0.21 0.08 0.17
18 bzAr ar bz -1 1 1 1.12 -0.96 0.20 0.28
MD -0.28 0.33 0.27
MAD 0.29 0.33 0.27
RMSD 0.44 0.39 0.30