How to compute photoionization cross sections

How To
#1

Total and differential photoelectron cross sections can be computed using stand-alone ezDyson software:
http://iopenshell.usc.edu/downloads/ezdyson/
which interacts smoothly with Q-Chem outputs. The details of theoretical models and step-by-step instructions of how to carry out such calculations are given in ezDyson user manual:
http://iopenshell.usc.edu/downloads/ezdyson/ezDysonManual.pdf

1 Like
#2

We updated ezDyson: please download the new version at http://iopenshell.usc.edu/downloads/ezdyson

#3

For a comprehensive overview of the ezSpectra suite and tutorial, sign up for the upcoming webinar (03/03, 10-11 PST) hosted by Q-Chem:

https://register.gotowebinar.com/register/768563439075617551

#4

See this post: https://talk.q-chem.com/t/how-to-compute-franck-condon-factors/60/4?u=annakrylov

#5

Paper describing ezDyson/ezFCF is now published:
https://onlinelibrary.wiley.com/doi/epdf/10.1002/wcms.1546