The Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer Dynamics
Suraj S. Chandran, Yanze Wu, and Joseph E. Subotnik

TL;DR
This paper explores how Duschinskii rotations influence spin-dependent electron transfer, revealing that such rotations can significantly enhance transient spin polarization, impacting models of nuclear motion in chiral spin selectivity.
Contribution
It introduces a novel analysis of spin transfer dynamics incorporating Duschinskii rotations and demonstrates their effect on spin polarization in a two-level system.
Findings
Duschinskii rotations increase transient spin polarization.
Entangled normal modes affect electron transfer dynamics.
Implications for chiral induced spin selectivity models.
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 , 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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Taxonomy
TopicsSpectroscopy and Quantum Chemical Studies · Electron Spin Resonance Studies · Molecular Junctions and Nanostructures
