Abstract
A scheme is introduced to quantitatively analyze the magnetically
induced molecular current density vector field J. After determining the
set of zero points of J, which is called its stagnation graph (SG),
the line integrals -1/mu_0 \int_li B.dl along all edges of
the connected subset of the SG are determined. The edges are oriented such that all
line integrals are non-negative and they are weighted with the resultants. An oriented
flux-weighted (current density) stagnation graph (OFW-SG) is obtained.
Since J is in the exact theoretical limit divergence free and due to the
topological characteristics of such vector fields the flux of all separate vortices
and neighbouring vortex combinations can be determined by adding the weights of cyclic subsets
of edges of the OFW-SG. The procedure is exemplified by the case of LiH for
a perpendicular and weak homogeneous external magnetic field B.
Supplementary materials
Title
The Oriented and Flux-Weighted Current Density Stagnation Graph of LiH
Description
Computation details for the main article.
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