Table 2.

MAEs and MSEs of CT Excitation Energies in the Stein CT Test Set Obtained from TDDFT, BSE/G₀W₀, BSE/G_RSW₀, and BSE/G_RSW_RS with HF, BLYP, PBE, B3LYP, PBE0, and PBEh(0.75)^a

	HF		BLYP		PBE		B3LYP		PBE0		PBEh
	MAE	MSE	MAE	MSE	MAE	MSE	MAE	MSE	MAE	MSE	MAE	MSE
TDDFT	0.78	0.78	1.44	−1.44	1.45	−1.45	1.16	−1.16	1.08	−1.08	0.19	0.02
BSE/G0W0	0.10	−0.06	1.28	−1.28	1.31	−1.31	0.74	−0.74	0.65	−0.65	0.14	0.09
BSE/GRSW0	0.10	−0.06	0.35	−0.35	0.35	−0.37	0.29	−0.28	0.29	−0.29	0.16	−0.15
BSE/GRSWRS	0.10	−0.06	0.17	0.14	0.18	0.11	0.14	0.09	0.17	0.14	0.11	−0.07

^aAll values in eV. Geometries were taken from ref 91. Experiment values in the gas phase were taken as the reference values.⁹¹ Gas-phase experimental references were used. The error for system i is defined as ${\text{Error}}_i=E_i^{\text{calc}}-E_i^{\text{experiment}}$ The cc-pVDZ basis set was used.