Hartree-Fock Tutorial

PhD Journal Club seminar, University of Luxembourg, 2023

For the weekly PhD Journal Club, I prepared a hands-on tutorial on the Hartree-Fock (HF) method for my peers. The TCP group is highly interdisciplinary, with PhD students coming from Chemistry, Physics, Quantum Field Theory, or Mathematics backgrounds. I therefore aimed for a pedagogical, beginner-friendly introduction to HF theory — the cornerstone of quantum chemistry. I summarized and explained the key equations and paired them with a simple, from-scratch implementation to show what happens in practice. The tutorial walks through three classic examples: (1) the HeH+ ion, (2) restricted HF for the H2 molecule, and (3) unrestricted HF for H2 dissociation.