Practical Introduction to Hartree-Fock Algorithm using Python

<p>I will assume you have read the first three chapters of &ldquo;Modern Quantum Chemistry&rdquo; by Szabo and Ostlund, or any other similar book, or have taken an introductory course into computational quantum chemistry. I will be referring to said book throughout the post. The book is very cheap (&pound;10 on Amazon) and is a good investment.</p> <p>I&rsquo;ll also assume you have had a bit of practice coding in python, and know the basics, like how for loops work, etc.</p> <p>I will go through the important maths again here and there. This is to function as a reminder, and it will not make sense if you are reading about this for the first time. If this is the case, simply refer to the book.</p> <p><a href="https://medium.com/analytics-vidhya/practical-introduction-to-hartree-fock-448fc64c107b"><strong>Website</strong></a></p>
Tags: Fock Algorithm