An introduction to computational chemistry for newcomers, starting from the Hartree-Fock method and basis sets, with worked examples in Python using PySCF.
Read it here: https://prasanta13.github.io/compchem_for_newbies/
Status: work in progress. The introduction, the Basis Sets page and the Hartree-Fock chapter are written. The MP2, CCSD and DFT pages are placeholders.
The pages use LaTeX maths, which renders properly on the website; please read them there rather than as files on GitHub.