A novel strategy for extracting axial (AV) and toroidal (TV) vortices in the magnetically-induced current density (MICD) in molecular systems is introduced, and its pilot application to LiH molecule is demonstrated.It exploits differences in the topologies of AV and TV cores and involves two key st...

Topological data analysis of vortices in the magnetically-induced current density in LiH molecule. (arXiv:2212.08690v2 [physics.chem-ph] CROSS LISTED)

A novel strategy for extracting axial (AV) and toroidal (TV) vortices in the magnetically-induced current density (MICD) in molecular systems is introduced, and its pilot application to LiH molecule is demonstrated.

It exploits differences in the topologies of AV and TV cores and involves two key st…

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