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PX13 results

Density functional: APFD

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.

-1.45 59.30 -4.28 46.90 -3.82 48.40 -4.67 48.60 -5.56 29.80 -7.45 26.60 -9.55 30.10 -11.43 35.10 -5.45 42.30 -5.57 20.70 -6.98 14.70 -8.43 14.60 -10.02 16.60
# Systems Stoichiometry Ref. APFD
1 nh3_2 nh3_2_ts -1 1 59.3 -1.45
2 nh3_3 nh3_3_ts -1 1 46.9 -4.28
3 nh3_4 nh3_4_ts -1 1 48.4 -3.82
4 h2o_2 h2o_2_ts -1 1 48.6 -4.67
5 h2o_3 h2o_3_ts -1 1 29.8 -5.56
6 h2o_4 h2o_4_ts -1 1 26.6 -7.45
7 h2o_5 h2o_5_ts -1 1 30.1 -9.55
8 h2o_6 h2o_6_ts -1 1 35.1 -11.43
9 hf_2 hf_2_ts -1 1 42.3 -5.45
10 hf_3 hf_3_ts -1 1 20.7 -5.57
11 hf_4 hf_4_ts -1 1 14.7 -6.98
12 hf_5 hf_5_ts -1 1 14.6 -8.43
13 hf_6 hf_6_ts -1 1 16.6 -10.02
MD -6.51
MAD 6.51
RMSD 7.05