Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 156, Issue 17, Pages -Publisher
AIP Publishing
DOI: 10.1063/5.0086554
Keywords
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Funding
- Center for Sustainable Separation of Metals, an NSF Center for Chemical Innovation (CCI) [CHE-1925708]
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This study investigates a spin-boson inspired model of electron transfer, showing that equilibrium results are invariant to the sign of coupling to infinite order, while nonequilibrium results do depend on the coupling sign, indicating possible electronic spin polarization.
We investigate a spin-boson inspired model of electron transfer, where the diabatic coupling is given by a position-dependent phase, e(iWx). We consider both equilibrium and nonequilibrium initial conditions. We show that, for this model, all equilibrium results are completely invariant to the sign of W (to infinite order). However, the nonequilibrium results do depend on the sign of W, suggesting that photo-induced electron transfer dynamics with spin-orbit coupling can exhibit electronic spin polarization (at least for some time). Published under an exclusive license by AIP Publishing.
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