An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy

We assess the performance of different protocols for simulating excited-state x-ray absorption spectra. consider three based on equation-of-motion coupled-cluster singles and doubles, two them combined with maximum overlap method. The differ in choice a reference configuration used to compute target states. Maximum-overlap-method time-dependent density functional theory is also considered. approaches illustrated using uracil, thymine, acetylacetone as benchmark systems. results provide guidance selecting an electronic structure method modeling time-resolved spectroscopy.