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arXiv · 2208.13378

The Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer Dynamics

Suraj S. Chandran·Yanze Wu·Joseph E. Subotnik
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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 $e^{iWx}$, 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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Suraj S. Chandran, Yanze Wu, Joseph E. Subotnik. 2022-08-29. The Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer Dynamics. https://doi.org/10.1021/acs.jpca.2c06149

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