“Know how to solve every problem that has been solved.” “What I cannot create, I do not understand.” — Richard Feynman

Project 8 — The dissociation curve

Quantum Chemistry

A single-point energy is not chemistry; a potential curve is. Parameterize your SCF over the bond length, trace H₂ apart, and watch restricted Hartree-Fock fail to dissociate — by an amount your own code measures.