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RG18 results

Density functional: XLYP

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 0.13 0.09
2 ar2 ar -1 2 0.27 -0.39 0.06 0.15
3 kr2 kr -1 2 0.40 -0.67 -0.02 0.26
4 ne3 ne -1 3 0.27 -0.07 0.30 0.20
5 ar3 ar -1 3 0.77 -0.90 0.11 0.32
6 kr3 kr -1 3 1.18 -1.64 -0.07 0.51
7 ne4 ne -1 4 0.54 -0.22 0.49 0.31
8 ar4 ar -1 4 1.51 -2.04 -0.08 0.31
9 ne6 ne -1 6 1.13 -0.52 0.95 0.59
10 hfNe ne hf -1 1 1 0.23 0.10 0.56 0.29
11 hfAr ar hf -1 1 1 0.59 -0.07 0.66 0.49
12 hfKr kr hf -1 1 1 0.72 -0.12 0.69 0.71
13 c2h2Ne ne c2h2 -1 1 1 0.12 -0.09 0.11 0.12
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.47 -0.00 0.07
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.21 0.19 0.13
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.67 0.12 0.15
17 bzNe ne bz -1 1 1 0.40 -0.42 0.09 0.11
18 bzAr ar bz -1 1 1 1.12 -1.65 -0.09 0.14
MD -0.56 0.23 0.28
MAD 0.57 0.26 0.28
RMSD 0.83 0.38 0.33