back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to RG18 main page   back to ωB97X-V main page

RG18 results

Density functional: ωB97X-V

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. ωB97X-V
1 ne2 ne -1 2 0.08 0.05
2 ar2 ar -1 2 0.27 0.01
3 kr2 kr -1 2 0.40 -0.04
4 ne3 ne -1 3 0.27 0.12
5 ar3 ar -1 3 0.77 0.04
6 kr3 kr -1 3 1.18 -0.09
7 ne4 ne -1 4 0.54 0.24
8 ar4 ar -1 4 1.51 0.04
9 ne6 ne -1 6 1.13 0.48
10 hfNe ne hf -1 1 1 0.23 0.11
11 hfAr ar hf -1 1 1 0.59 0.07
12 hfKr kr hf -1 1 1 0.72 0.08
13 c2h2Ne ne c2h2 -1 1 1 0.12 0.08
14 c2h2Ar ar c2h2 -1 1 1 0.33 0.02
15 c2h6Ne ne c2h6 -1 1 1 0.24 0.10
16 c2h6Ar ar c2h6 -1 1 1 0.54 0.00
17 bzNe ne bz -1 1 1 0.40 0.18
18 bzAr ar bz -1 1 1 1.12 0.09
MD 0.09
MAD 0.10
RMSD 0.15