A tutorial on quantum scattering theory and coupled-channel calculations of bimolecular collisions
This tutorial connects abstract quantum scattering theory to practical numerical methods for calculating bimolecular collision cross sections. It derives coupled-channel equations using Dirac notation, employs Numerov's method for solving them, and utilizes Jacobi coordinates and DVR to handle the complexity of atom-diatom collisions. The result is a robust workflow for simulating molecular interactions.