Hartree-Fock / Szabo & Ostlund book

  • I
  • Thread starter compchemrulez
  • Start date
  • Tags
  • #1
TL;DR Summary
Hartree-Fock Szabo Ostlund book
Hello everyone,

I have a large number of questions pertaining to Hartree-Fock theory, as well some things I need clarified as I go through the book,

"Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory"​

by Attila Szabo and Neil S. Ostlund. Is this the correct forum to post in? I hope this is a book many of you will be familiar with, I need a lifeline!
  • #2
Let's say that, some 20 years ago, I was familiar with it.
  • Haha
Likes Demystifier
  • #3
I won't answer questions, as I seldom visit the forum, but I think the best way of understanding is to actually implement a project. I did something like that: https://github.com/aromanro/HartreeFock I think it touches everything in that book except (for now) the chapter on Green's functions. Restricted & unrestricted HF (both self-consistent and DIIS), CC & CI, Moller-Plesset preturbation theory and even more than the books covers, as it contains info only on solving the simplest Gaussian integrals.

I also have a python repository with simpler (restricted HF only, simple spherical orbitals applied on H, He, H2 stuff like that).

Suggested for: Hartree-Fock / Szabo & Ostlund book