How does relativity affect magnetically induced currents?
نویسندگان
چکیده
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.
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عنوان ژورنال:
- Chemical communications
دوره 51 73 شماره
صفحات -
تاریخ انتشار 2015