Molpro Tutorials

This repository contains tutorials for the use of the methods implemented in Molpro by the Theoretical Chemistry Department at the University of Erlangen-Nürnberg, headed by Andreas Görling.
Implemented methods include:

• Self-consitent exact-exchange optimzed effective potential method Jupyter Notebook with Tutorial
• Self-consitent random phase approxiamtion optimzed effective potential method Jupyter Notebook with Tutorial
• Kohn-Sham inversion Jupyter Notebook with Tutorial

These tutorials are intended to illustrate the main functionality and post-processing of calculations. They complement the corresponding documentation in the Molpro manual, which we recommend to read first:

• SCEXX/USCEXX program
• SCRPA/USCRPA program
• KSINV/UKSINV program