Table 1.

Total MAEs of Excitation Energies in the Truhlar–Gagliardi Test Set Obtained from TDDFT, BSE/G₀W₀, BSE/G_RSW₀, BSE/G_RSW_RS, and BSE/evGW Based on HF, BLYP, PBE, B3LYP, PBE0, and PBEh(0.75)^a

	HF	BLYP	PBE	B3LYP	PBE0	PBEh
BSE/G0W0	0.76	1.43	1.40	0.99	0.88	0.27
BSE/GRSW0	0.76	0.83	0.82	0.67	0.61	0.28
BSE/GRSWRS	0.76	0.37	0.36	0.35	0.34	0.29
BSE/evGW	0.74	0.48	0.47	0.52	0.53	0.26
TDDFT	1.54	0.52	0.51	0.33	0.31	0.85

^aReference values for pNA and DMABN were taken from ref 94 and for the remaining molecules from ref 95. The reference values are the theoretical best estimates. The aug-cc-pVDZ basis set was used for naphthalene, pNA, and DMABN, and the aug-cc-pVTZ basis set was used for the remaining systems. B-TCNE was excluded due to the high computational cost. Total MAEs were calculated by averaging all systems with equal weights. The error for system i is defined as ${\text{Error}}_i=E_i^{\text{calc}}-E_i^{\text{reference}}$.