A MATLAB-based finite-element visualization of quantum reactive scattering. I. Collinear atom-diatom reactions.

We restate the application of the finite element method to collinear triatomic reactive scattering dynamics with a novel treatment of the scattering boundary conditions. The method provides directly the reactive scattering wave function and, subsequently, the probability current density field. Visualizing these quantities provides additional insight into… CONTINUE READING