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RG18 results

Density functional: BMK

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 -0.60 -0.51 -0.55
2 ar2 ar -1 2 0.27 -1.08 -0.64 -0.68
3 kr2 kr -1 2 0.40 -1.29 -0.51 -0.57
4 ne3 ne -1 3 0.27 -1.82 -1.55 -1.66
5 ar3 ar -1 3 0.77 -2.79 -1.83 -1.80
6 kr3 kr -1 3 1.18 -3.24 -1.43 -1.42
7 ne4 ne -1 4 0.54 -3.44 -2.94 -3.12
8 ar4 ar -1 4 1.51 -5.26 -3.43 -3.33
9 ne6 ne -1 6 1.13 -7.00 -5.97 -6.32
10 hfNe ne hf -1 1 1 0.23 -0.85 -0.46 -0.76
11 hfAr ar hf -1 1 1 0.59 -0.82 -0.17 -0.53
12 hfKr kr hf -1 1 1 0.72 -0.79 -0.02 -0.38
13 c2h2Ne ne c2h2 -1 1 1 0.12 -0.77 -0.63 -0.60
14 c2h2Ar ar c2h2 -1 1 1 0.33 -1.07 -0.69 -0.60
15 c2h6Ne ne c2h6 -1 1 1 0.24 -1.16 -0.88 -0.93
16 c2h6Ar ar c2h6 -1 1 1 0.54 -1.49 -0.86 -0.86
17 bzNe ne bz -1 1 1 0.40 -1.40 -1.04 -0.97
18 bzAr ar bz -1 1 1 1.12 -1.91 -0.57 -0.44
MD -2.04 -1.34 -1.42
MAD 2.04 1.34 1.42
RMSD 2.65 1.96 2.03