Building a Molecule; Time Spent in the Gap

How is a molecule built? Rather, what exactly is required to predict the electronic structure of a molecule using modern tools? I will use this post to talk about my time spent learning how to apply the classic quantum mechanical calculation of Hartree-Fock (note, this is plain old Hartree-Fock rather than multi-configuration Hartree-Fock or something […]

The Quantum Mechanics in the Gap

A big cat’s paw of mine is trying to fill the space between my backgrounds to understand how one thing leads to another. When a biochemist learns quantum mechanics (QM), it happens from a background where little mathematical sophistication is required; maybe particle-in-a-box appears in the middle of a low grade Physical Chemistry class and […]