ezAuger

ezAuger module contains a set of scripts for computing Auger spectra with spin-orbit coupling included via state-interation approach.

The details of the theoretical model employed as well as benchmark results can be found in the following publication:

N. K. Jayadev, W. Skomorowski, and A.I. Krylov Incorporating the effect of spin–orbit interaction in Auger decay spectra: Theory and examples J. Chem. Phys. , submitted (2025)

Download ezAuger: ezAuger1.0.tar.gz