RIXS and excited states calculation with the Xclaim code

Abstract

We discuss the calculation of resonant inelastic x-ray scattering (RIXS) with Xclaim, a multi-plaform code for the calculation of core-hole spectroscopy based on a ligand-field multiplet model. RIXS can be calcuated with a ligand-field model with ligands for the L$_{2,3}$, M$_{2,3}$, $K_{\alpha}$ and $K_{\beta}$ edges for $d$-valence metals. In addition, the program brings the possibility of fully diagonalizing the hamiltonian to classify the excited states. The command line use of xclaim is described for scripting purposes to help in automatizing the results that can be obtained with the graphical interface.