Table 4.

SiS. Orbital ratio, $R_{IJ}={\sigma }_I\left(\omega \right)/{\sigma }_J\left(\omega \right)$, at 30, 60, 400, 800 eV, and intensity ratio, $\frac{R_I}{R_J}$. The CASPT2-Dyson/TD-DFT-continuum approach was used for $R_{IJ}$, and CASPT2 for $R_I/R_J$.

Ionic States	$\frac{{\mathit{R}}_{\mathit{I}}}{{\mathit{R}}_{\mathit{J}}}$	Orbital Ratio (${\mathit{R}}_{\mathbf{IJ}}$)
I/J		30 eV	60 eV	400 eV	800 eV
9$\sigma$/8$\sigma$	1.83	1.13	2.4	1.2	1.04
Sat.1/8$\sigma$	0.46	0.43	0.46	0.47	0.48
Sat.2/8$\sigma$	0.23	0.68	0.24	0.28	0.24
Sat.3/8$\sigma$	0.33	0.09	0.27	0.40	0.41
Sat.4/8$\sigma$	0.22	1.48	0.24	0.18	0.20
Sat.5/8$\sigma$	0.20	0.14	0.15	0.19	0.22