Berger, Raphael Johann Friedrich; Repisky, Michal; Komorovsky, Stanislav (Journal article; Tidsskriftartikkel; Peer reviewed, 2015-07-23)
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.