Further Resources

Here is a curated list of useful pedagogic resources for learning more about DFT and related topics:

• eChem: Digital textbook addressing advanced topics in electronic structure.

• DFT by hand: Exercises that involve performing DFT calculations by hand on a simplified two-electron He atom system.

• python_1d_dft: GitHub repository with Jupyter Notebooks that considers DFT in the context of a 1D PIB.

• DFT with Slater functions: Jupyter Notebooks that calculate the DFT total energy of H2 with Slater orbitals.

• DFT MOOC: 25-hour online course delivered by Coursera on DFT.

• The ABC of DFT: Textbook pdf by Prof. Kieron Burke with great explanations and pen-and-paper exercises.

• HF with Excel: Microsoft Excel Spreadsheet with VBA Macros that perform HF/STO-nG calculations on H2.

• Basis sets with Excel: Excel sheets with interactive visualizations of gaussian- and slater-type basis sets.