Topological data analysis of vortices in the magnetically-induced current density in LiH molecule
Małgorzata Olejniczak, Julien Tierny · Physical Chemistry Chemical Physics · 2023
An automatic approach based on topological data analysis extracts axial (blue) and toroidal (green) vortices in magnetically-induced current density as specific sub-sets of the separatrices (gray curves) of the Morse-Smale complex of the Ω index.