The states from the quantum chemical calculations are in the adiabatic representation and undergo crossings and avoided crossing along the scan. By following the character of the states and ensuring continuous evolution of transition dipole moments to the core excited and electronic ground state, we very crudely obtain PES of states in an approximately diabatic representation. The couplings between these states are neglected in the simulations. On the basis of the uncoupled diabatic states, wave packet simulations can be performed for the F 1s XA spectrum and corresponding RIXS spectra at different resonances.