GayMePy Gay Python Guide in Computational Chemistry

Hartree-Fock

Pika

Soooo! How are you doing? Have you ever heard about the new gospel of Hartree-Fock? Yeah, I know you knew I would come to this. Sure, why not?!

Actually, this post is just a reminder for you to stay tuned. I will be publishing here a thoroughly step-by-step guide into the wonders of Hartree-Fock by using Python! (Hell yeah!)

The purpose is not to be the uttermost application to draw people to my cause. The goal is to work as a teaching approach for those who have struggled with the concept as me.

And just out of curiosity, we will try to see if we can get some computational speed-ups by using Numpy and Numba. So, stay tuned. This will take a while, but will worth it.