ELI5: Explain Like I'm 5

Molecular Hamiltonian

A molecular hamiltonian is a way of describing the behavior of atoms and molecules using mathematical equations. It is like a recipe for understanding how these particles interact and move around. It looks a lot like a very complicated scientific formula, and it can tell us what kinds of energies and forces are acting on the particles. This understanding can help scientists understand and predict how the particles will move and interact with each other.