Electronic resources to Elements of Electronic Structure Theory#

License: CC BY-SA 4.0


This website contains a collection of additional electronic source material associated with the book Elements of Electronic Structure Theory. Both the book and the website are associated with the course Theoretical and Computational Chemistry given in the Master Curriculum Chemical Engineering at the Eindhoven University of Technology, though the more auto-didactic oriented students can also use the resources as provided here for their own study.


Just here to grab an electronic copy of the book? You can obtain the latest version via this download link.


Chapter 1

Recap of Quantum Chemistry

Chapter 2

The Atomic Orbitals

Chapter 3

Hartree-Fock Theory

Chapter 4

Density Functional Theory

How to use this website#

  • If you are visiting this website for the first time, head over to the getting started section section and obtain an electronic copy of the book and follow the instructions to install a Python development environment.

  • Read the chapters, one by one, in the book. Try to make the exercises as provided in the book and consult this website for workouts and scripts.


Unless otherwise specified, all the material on this website, including the scripts, are shared under the CC BY-SA 4.0 license.


We always appreciate receiving feedback on our lecture material. If you spot any errors on this website or in the book, feel free to drop a line to i.a.w.filot@tue.nl.

Indices and tables#