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Spin Polarization through A Molecular Junction Based on Nuclear Berry Curvature Effects
Hung-Hsuan Teh, Wenjie Dou, Joseph E. Subotnik
We explore the effects of spin-orbit coupling on nuclear wave packet motion near an out-of-equilibrium molecular junction, where nonzero Berry curvature emerges as the antisymmetri…
An Antisymmetric Berry Frictional Force At Equilibrium in the Presence of Spin-Orbit Coupling
Hung-Hsuan Teh, Wenjie Dou, Joseph E. Subotnik
We analytically calculate the electronic friction tensor for a molecule near a metal surface in the case that the electronic Hamiltonian is complex-valued, e.g. the case that there…
Born-Oppenheimer Dynamics, Electronic Friction, and the Inclusion of Electron-Electron Interactions
Wenjie Dou, Gaohan Miao, Joseph E. Subotnik
We present a universal expression for the electronic friction as felt by a set of classical nuclear degrees of freedom (DoF's) coupled to a manifold of quantum electronic DoF's; no…