. 2023 Aug 1;19(16):5427–5438. doi: 10.1021/acs.jctc.3c00441

Table 2. Mean Absolute Errors in kcal/mol of Different Functionals for Different Test Sets.

	S22	B30	FH51	G21EA	DARC
PBE	0.44^a	2.46	3.44	3.69	6.63
DC(HF)-PBE	0.44^a	1.00	3.55	3.04	6.63
C(HF)-PBE	0.45^a	0.90	2.62	2.59	3.08
PBE0	0.46^a	1.62	2.63	2.53	3.05

Corrected using Grimme’s D3 dispersion correction.⁹⁹⁻¹⁰¹