Calculation of X-ray photoelectron spectra with the use of the normalized elimination of the small component method

► A new method based on NESC for calculating XPS spectra has been developed. ►Results for U5+ show excellent agreement compared to fully relativistic methods. ►Large systems can be treated at the computational cost of non-relativistic methods. ►Calculations on YbP show the effects of the crystal environment on the spectra. ►Alternative interpretation of the satellite peaks in the 4p XPS of YbP.