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. 2020 Jun 19;16(8):4983–4992. doi: 10.1021/acs.jctc.0c00328

Table 2. MAE and MARE for Noncovalent Interaction Test Setse.

      @OEPx
  MP2 OEP2-sc GL2 ISId mISId mISIc ACSC
WI
MAEa 0.04 0.05 0.51 0.36 0.24 1.96 0.32
MAREb 18.53 17.08 598.63 455.11 426.50 899.71 150.26
HB6
MAEa 0.17 0.27 0.75 0.39 0.70 0.64 0.66
MAREb 1.81 4.32 9.27 4.92 7.28 7.50 6.49
DI6
MAEa 0.45 0.71 2.16 1.41 1.14 1.01 1.09
MAREb 12.85 20.24 64.05 42.53 34.80 38.97 34.77
CT7
MAEa 0.55 1.35 2.54 1.71 1.39 1.94 1.64
MAREb 14.99 40.25 80.36 54.94 44.61 69.62 60.33
DHB
MAEa 0.54 0.85 1.62 0.98 0.79 0.91 1.01
MAREb 8.19 13.18 30.31 18.52 15.17 20.54 20.53
Overall
MAEa 0.38 0.74 1.63 1.05 0.91 1.37 1.03
MAREb 12.58 24.28 154.22 113.00 103.06 195.24 58.49
a

In kcal/mol.

b

In %.

c

With TPSS-GL2.

d

Corrected for size-consistency error (see ref (61)).

e

The best result between ISI and mISI of each line is highlighted in bold style. The OEP2-sc results are fully self-consistent, the MP2 and (reference) CCSD(T) results are calculated on top of HF orbitals, and the results of the other methods (GL2, ISI, mISI, mISI@TPSS-GL2, ACSC) are computed on top of OEPx orbitals.