Real-space pseudopotential method for the calculation of 1s core-level binding energies

Published in Journal of Chemical Theory and Computation, 2022

Recommended citation: Qiang Xu, David Prendergast, and Jin Qian, J. Chem. Theory Comput., 18, 9, 5471-5478 (2022). https://doi.org/10.1021/acs.jctc.2c00474