Hartree-Fock & Density Functional Theory

TL;DR

This paper provides lecture notes on Hartree-Fock and Density Functional Theory, covering fundamental concepts and exercises for first-year master chemistry students, aiming to facilitate understanding of quantum chemistry methods.

Contribution

It offers a comprehensive, evolving set of lecture notes and exercises on HF and DFT tailored for master-level chemistry education.

Findings

Clear explanation of HF and DFT principles

Includes practical exercises for students

Updated annually to improve clarity and content

Abstract

These are the lecture notes used in the course Understanding Quantum Chemistry for 1st year master chemistry at the Vrije Universiteit Amsterdam. The schedule is 2 weeks on HF and 2 weeks on DFT, which provides a quite rough ride for the the students. The lecture notes also include exercises. I have started to write them in 2013 and each year I try to find the time to improve them.