The Organic Chemistry Lie

Fallout from my learning about Molecular Orbital theory and Hartree-Fock. I’ve said repeatedly that Organic Chemistry is along the spectrum of pursuits that uses Quantum Mechanics. Organic Chemists learn a brutal regimen of details for constructing ball-and-stick models of complicated molecules. I’ve also recently discovered that chemistry –to this day– is teaching a fundamental lie […]

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 […]