PreprintArticleVersion 1This version is not peer-reviewed
A Study of Differential Topology on the Magnetically Induced Isotropically Averaged Lorentz Force Density of Few Simple MoleculesSupporting Information
Version 1
: Received: 16 July 2024 / Approved: 17 July 2024 / Online: 17 July 2024 (08:11:24 CEST)
How to cite:
Orza, M.; Summa, F. F.; Zanasi, R.; Monaco, G. A Study of Differential Topology on the Magnetically Induced Isotropically Averaged Lorentz Force Density of Few Simple MoleculesSupporting Information. Preprints2024, 2024071367. https://doi.org/10.20944/preprints202407.1367.v1
Orza, M.; Summa, F. F.; Zanasi, R.; Monaco, G. A Study of Differential Topology on the Magnetically Induced Isotropically Averaged Lorentz Force Density of Few Simple MoleculesSupporting Information. Preprints 2024, 2024071367. https://doi.org/10.20944/preprints202407.1367.v1
Orza, M.; Summa, F. F.; Zanasi, R.; Monaco, G. A Study of Differential Topology on the Magnetically Induced Isotropically Averaged Lorentz Force Density of Few Simple MoleculesSupporting Information. Preprints2024, 2024071367. https://doi.org/10.20944/preprints202407.1367.v1
APA Style
Orza, M., Summa, F. F., Zanasi, R., & Monaco, G. (2024). A Study of Differential Topology on the Magnetically Induced Isotropically Averaged Lorentz Force Density of Few Simple MoleculesSupporting Information. Preprints. https://doi.org/10.20944/preprints202407.1367.v1
Chicago/Turabian Style
Orza, M., Riccardo Zanasi and Guglielmo Monaco. 2024 "A Study of Differential Topology on the Magnetically Induced Isotropically Averaged Lorentz Force Density of Few Simple MoleculesSupporting Information" Preprints. https://doi.org/10.20944/preprints202407.1367.v1
Abstract
Quantum chemical topology addresses the study of the chemical structure by applying the tools of differential topology to scalar and vector fields obtained by quantum mechanics. Here the magnetically induced isotropically averaged Lorentz force density has been computed and topologically analysed for 11 small molecules. Critical points (attractors, repellers and saddles) have been determined and trajectories connecting the attractors have been computed. It is shown that kinds and numbers of the critical points are rather transferable in similar molecules. CC bonds of different order are endowed with critical points of different kind close to their centre. The long range behaviour of the force allows understanding the value of the sum of topological indices of the isolated critical points.
Keywords
Lorentz force density; Quantum Chemical Topology; topological index; Poincaré-Hopf theorem; vector field
Subject
Chemistry and Materials Science, Theoretical Chemistry
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
