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Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer Dynamics
Suraj S Chandran1, Yanze Wu1, Joseph E Subotnik1
1Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States.
Abstract:
We investigate spin-dependent electron transfer in the presence of a Duschinskii rotation. In particular, we propagate dynamics for a two-level model system for which spin-orbit coupling introduces an interstate coupling of the form e, which is both position(x)-dependent and complex-valued. We demonstrate that two-level systems coupled to Brownian oscillators with Duschinskii rotations (and thus entangled normal modes) can produce marked increases in transient spin polarization relative to two-level systems coupled to simple shifted harmonic oscillators. These conclusions should have significant relevance for modeling the effect of nuclear motion on chiral induced spin selectivity.
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