TABLE VI.

Acetylacetone. Excitation energies (eV) at the FC geometry compared with the values obtained in EELS¹²⁷ and UV absorption spectroscopy.¹²⁸

	ADC(2)	ADC(2)-x	EOM-CCSD	TDDFT	EELS	UV
T1($\pi {\pi }^{\ast }$)	3.76	3.16	3.69	3.23	3.57?	…
T2(n${\pi }^{\ast }$)	3.79	3.13	4.11	3.75	?	…
S1(n${\pi }^{\ast }$)	4.03	3.29	4.39	4.18	4.04	4.2
S2($\pi {\pi }^{\ast }$)	4.96	4.28	5.24	5.08	4.70	4.72
T${}_3(\pi \text{Ryd})$	5.91	5.45	6.02	5.66	5.52	…
S${}_{3?}(\pi \text{Ryd})$	5.98	5.53	6.13	5.72	5.84	5.85
S${}_{5?}(\pi \text{Ryd})$	6.87	6.30	7.06	6.64	6.52	6.61