Relativistic correction scheme for core-level binding energies from GW.
Keller L, Blum V, Rinke P, Golze D.
Keller L, et al. Among authors: golze d.
J Chem Phys. 2020 Sep 21;153(11):114110. doi: 10.1063/5.0018231.
J Chem Phys. 2020.
PMID: 32962377
We show that this element-specific relativistic correction, when applied to a previously reported benchmark set of 65 core-state excitations [D. Golze et al., J. Phys. Chem. Lett. 11, 1840-1847 (2020)], reduces the mean absolute error (MAE) with respect to the exper …
We show that this element-specific relativistic correction, when applied to a previously reported benchmark set of 65 core-state excitations …