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. 2021 Mar 12;8(2):024101. doi: 10.1063/4.0000070

TABLE III.

Uracil. Excitation energies (eV) at the FC geometry and comparison with experimental values from EELS123 and UV absorption spectroscopy.124

ADC(2) ADC(2)-x EOM-CCSD TDDFT EELS UV
T1(ππ) 3.91 3.36 3.84 3.43 3.75
T2(nπ) 4.47 3.79 4.88 4.27 4.76
S1(nπ) 4.68 3.93 5.15 4.65 5.2
S2(ππ) 5.40 4.70 5.68 5.19 5.5 5.08
S3(πRyd) 5.97 5.39 6.07 5.70
S5(ππ) 6.26 5.32 6.74 5.90 6.54 6.02