Table 4. Pyrimidine. Binding Energies and Main Character of Selected Cationic States of the RAES at the 1s_N → π*(2a₂) Resonance Computed with the QC-II Scheme (see Figure 9 for a Definition of the QC-I and QC-II Schemes)^a.

	Binding Energy, BE (eV)
label	this work	experimentb	state main configuration [with CI weight]c
A	9.43	9.8
	9.87		2b2–1[0.89]
B	10.84	11.3
	11.13		1a2–1[0.91]
C	14.85	14.2
D	16.33	∼15.7	[0.37] + [0.19]
E	17.38	16.5
	17.69		1a2–12b2–13b21[0.54]
	17.94
	18.17		11a1–17b1–12a21[0.49]
	18.23		[0.41] + [0.31]
F	19.49		[0.32] + [0.20]
	20.73		6b1–17b1–12a21[0.25] + 11a1–22a21[0.22]
	21.61		[0.27] + [0.14]
G	24.61	∼25.8	[0.12] + [0.11]

^aThe numbers in parentheses correspond to the CI weight of the respective configuration.

^bData taken from ref (86).

^cHere, we show only configurations with CI weight of >0.1.