collaborators

1 paper

cond-mat.str-el2023

Core-to-Core X-ray Emission Spectra from Wannier Based Multiplet Ligand Field Theory

Charles Cardot, Joshua Kas, Jared Abramson +2

Recent advances using Density Functional Theory (DFT) to augment Multiplet Ligand Field Theory (MLFT) have led to ab-initio calculations of many formerly empirical parameters. This…