TABLE II.

Acetylacetone. CVS-EOM-CCSD/6-311++G^** NTOs of the C_1s core excitations from the ground state at the FC geometry (NTO isosurface is 0.03 for the Rydberg transition and 0.05 for the rest).

Final state	$E^{\text{ex}}$ (eV)	Osc. strength	Hole	${\sigma }_K^2$	Particle
1A	285.88	0.013 3		0.76
2A	287.36	0.067 1		0.82
3A	287.53	0.067 3		0.81
9A	288.63	0.021 3		0.79
11A	289.13	0.020 2		0.82
13A	289.27	0.020 5		0.83
14A	289.28	0.017 5		0.82
15A	289.30	0.017 4		0.81