Teaching Materials

Repository by pfloos – Teaching resources for quantum chemistry and computational chemistry

📚 Overview

This repository gathers lecture notes, slides, problem sets, and other teaching materials used in courses and seminars on computational and quantum chemistry.
Topics include, but are not limited to:

• Hartree–Fock theory and post-HF methods
• Density Functional Theory (DFT)
• Many-Body Perturbation Theory and Green’s functions
• The Bethe–Salpeter Equation (BSE) and multi-frequency Casida-like equations
• Hands-on sessions and worked examples

The aim is to provide a comprehensive, evolving set of resources that can be reused, adapted, or referenced by students, colleagues, and the wider community.

🎯 Audience

These materials are primarily intended for:

• Master’s and early PhD students in theoretical/computational chemistry or physics
• Researchers seeking refresher or teaching-support resources
• Anyone interested in understanding excited-state methods or many-body techniques

📂 Repository Structure

A high-level overview of the folders in this repository:

ANU_lectures/   – Lecture series given at the Australian National University  
DFT/            – Slides, notes, exercises on density functional theory  
GFQC/           – Green’s functions in quantum chemistry  
HF/             – Hartree–Fock theory materials  
postHF/         – Post-HF methods: MP2, CI, CC, etc.  
README.md       – This file  

Each folder typically contains:

• PDF or TeX sources of lecture slides
• Worked examples and problem sets
• Optional solutions or instructor notes

🔧 How to Use

1. Browse the folder corresponding to the topic of interest.
2. Clone the repository:

   git clone https://github.com/pfloos/teaching.git

3. Open the PDFs, TeX files, or notebooks located inside each folder.
4. Adapt freely for teaching or self-study purposes.
5. Contributions are welcome — see below.

📌 License & Reuse

Unless otherwise stated in a specific folder, the materials are distributed under the CC BY 4.0 license.
You are free to share and adapt the material as long as proper credit is given.
If a folder contains a different license, it will be specified locally.

🤝 Contributions

Contributions are warmly welcomed. You may:

• Fix typos or errors
• Improve explanations or examples
• Add supplementary exercises or solutions
• Contribute additional lecture material

To contribute:

1. Fork the repository
2. Create a branch with your changes
3. Submit a pull request with a clear description

🧪 Coming Soon

• Additional teaching modules (e.g., parquet theory in MBPT, advanced BSE topics)
• Interactive Jupyter notebooks
• A unified index summarising all available materials

👤 Contact

For questions, suggestions or workshop-related inquiries, feel free to contact me directly.
You may also open an issue on GitHub for repository-specific requests.

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Thanks for using these resources — and happy learning!
— pfloos