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How does relativity affect magnetically induced currents?

Permanent link
https://hdl.handle.net/10037/9048
DOI
https://doi.org/10.1039/c5cc05732a
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Date
2015-07-23
Type
Journal article
Tidsskriftartikkel
Peer reviewed

Author
Berger, Raphael Johann Friedrich; Repisky, Michal; Komorovsky, Stanislav
Abstract
Magnetically induced probability currents in molecules are studied in relativistic theory. Spin–orbit coupling (SOC) enhances the curvature and gives rise to a previously unobserved current cusp in AuH or small bulge-like distortions in HgH2 at the proton positions. The origin of this curvature is magnetically induced spin-density arising from SOC in the relativistic description.
Description
Published version. Source at http://doi.org/10.1039/c5cc05732a.
Publisher
Royal Society of Chemistry
Citation
Chemical Communications 2015, 51(73):13961-13963
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