How does relativity affect magnetically induced currents?
Permanent lenke
https://hdl.handle.net/10037/9048Dato
2015-07-23Type
Journal articleTidsskriftartikkel
Peer reviewed
Sammendrag
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.
Beskrivelse
Published version. Source at http://doi.org/10.1039/c5cc05732a.