Exercise Week 11: XPS

Jupyter notebook tutorial for calculating the quasi-particle energy of the benzene HOMO state

For this exercise, we use Jupyter notebooks which are hosted on GitHub. You could either clone the repo:

git clone https://github.com/dgolze/m19_notebooks

Or, alternatively, you could also use the Binder link provided on the repo’s README.md. The relative path to the notebook is exercises/Exercise_week11_XPS.ipynb.

Please finish the self-consistent loop part of the python code to calculate the quasi-particle energy of the benzene HOMO state. [5P]
Compare your result with the one you have from the graphical solution during the lecture. Are they the same? [1P]