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ALKBDE10 results

Density functional: RPBE

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 bef be f -1 1 1 138.7 0.10 0.11 1.91
2 beo be o -1 1 1 106.6 4.49 4.50 7.18
3 cao ca o -1 1 1 96.2 19.96 19.97 26.26
4 hf h f -1 1 1 142.1 -4.99 -4.98 -4.60
5 kf k f -1 1 1 117.5 -2.70 -2.47 -0.44
6 lif li f -1 1 1 139.2 -6.69 -6.66 -5.37
7 lio li o -1 1 1 82.5 -2.36 -2.33 -0.38
8 mgo mg o -1 1 1 62.2 -0.47 -0.46 3.65
9 mgs mg s -1 1 1 56.7 -5.37 -5.34 7.28
10 nao na o -1 1 1 65.2 -3.49 -3.37 -0.96
MD -0.15 -0.10 3.45
MAD 5.06 5.02 5.80
RMSD 7.36 7.35 9.29