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Hartree-Fock & Density Functional Theory

Physics Education 2023-02-08 v2 Chemical Physics Computational Physics Quantum Physics

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.

Cite

@article{arxiv.2010.10243,
  title  = {Hartree-Fock & Density Functional Theory},
  author = {K. J. H. Giesbertz},
  journal= {arXiv preprint arXiv:2010.10243},
  year   = {2023}
}

Comments

31 exercises on HF, 28 exercises on DFT

R2 v1 2026-06-23T19:29:13.355Z