XES parameters are not correct for the intermediate Hamiltonian
mretegan opened this issue · comments
For example, the correct intermediate electronic configurations for Fe3+ is 1s1-3d5, and not 1s1-3d6 as it is now.
Core-Level Spectroscopy Simulations in Python
mretegan opened this issue · comments
For example, the correct intermediate electronic configurations for Fe3+ is 1s1-3d5, and not 1s1-3d6 as it is now.