Set of quantum chemistry exercises sheets using the jupyter notebook environment and the PySCF quantum chemistry package. Each module is thought as a stand alone exerice sheet which covers a specific theme of matter-light interaction, quantum chemistry and related topics.
Description of the folders:
- "Ex" contains the exercices that are ready to use as well as a template.
- "Ideas" contains notebook file with ideas for topics.
- "Old_ex" contains old version of some exercices that are now obsolete, or "under construction" notebook.
- "TD_Slater" contains functions and classes for solving the TD Schrödinger equation given a set of Slater states as basis and a given laser pulse. An example is given in "TD_pulse.ipynb" notebook.
- "Test" contains python script and notebook with some functions and Pyscf wrappers that are being tested.