Topological data analysis of vortices in the magnetically-induced current density in LiH molecule-Reference-Cited by-同舟云学术

Topological data analysis of vortices in the magnetically-induced current density in LiH molecule

Published:2023 Issue:8 Volume:25 Page:5942-5947
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Olejniczak Małgorzata¹^ORCID,Tierny Julien²^ORCID

Affiliation:

1. Centre of New Technologies, University of Warsaw, S. Banacha 2c, Warsaw 02-097, Poland

2. CNRS, Sorbonne Université, Laboratoire d'Informatique de Paris 6, LIP6, Paris F-75005, France

Abstract

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 theΩindex.

Funder

European Commission

Narodowe Centrum Nauki

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP05893F

Reference43 articles.

1. Current density and molecular magnetic properties

2. J.Leszczynski , Applications of Topological Methods in Molecular Chemistry , Springer International Publishing , 2016

3. Visualization of Tensor Fields in Mechanics

4. Topology of magnetic-field-induced current-density field in diatropic monocyclic molecules

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