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The chirality-induced spin selectivity (CISS) effect has been confirmedexperimentally for a large class of organic molecules. Adequately modeling theeffect remains a challenging task, with both phenomenological models andfirst-principle simulations yielding inconclusive results. Building upon apreviously presented model by K. Michaeli and R. Naaman (J. Phys. Chem C 123,17043 (2019)) we systematically investigate an effective 1-dimensional modelderived as the limit of a 3-dimensional quantum system with strong confinementand including spin-orbit coupling. Having a simple analytic structure, suchmodels can be considered a minimal setup for the description of spin-dependenteffects. We use adiabatic perturbation theory to provide a mathematically soundapproximation procedure applicable to a large class of spin-dependent continuummodels. We take advantage of the models simplicity by analyzing its structureto gain a better understanding how the occurrence and magnitude of spinpolarization effects relate to the model's parameters and geometry.

journal of chemical physics online/the journal of chemical physics/journal of chemical physics

Effective Hamiltonian model for helically constrained quantum systems  within adiabatic perturbation theory: application to the Chirality-Induced  Spin Selectivity (CISS) Effect