A5084803203- Spectroscopy and Quantum Chemical Studies
- Molecular Junctions and Nanostructures
- Quantum and electron transport phenomena
- Photochemistry and Electron Transfer Studies
- Electron Spin Resonance Studies
University of Pennsylvania
2022
We investigate a spin-boson inspired model of electron transfer, where the diabatic coupling is given by position-dependent phase, eiWx. consider both equilibrium and nonequilibrium initial conditions. show that, for this model, all results are completely invariant to sign W (to infinite order). However, do depend on W, suggesting that photo-induced transfer dynamics with spin-orbit can exhibit electronic spin polarization (at least some time).
We investigate spin-dependent electron transfer in the presence of a Duschinskii rotation. In particular, we propagate dynamics for two-level model system which spin-orbit coupling introduces an interstate form $e^{iWx}$, is both position(x)-dependent and complex-valued. demonstrate that systems coupled to Brownian oscillators with rotations (and thus entangled normal modes) can produce marked increases transient spin polarization relative simple shifted harmonic oscillators. These...