论文标题
在绝热扰动理论中用于螺旋约束量子系统的有效哈密顿模型：应用手学诱导的自旋选择性（CISS）效应
Effective Hamiltonian model for helically constrained quantum systems within adiabatic perturbation theory: application to the Chirality-Induced Spin Selectivity (CISS) Effect
论文作者
论文摘要
手性诱导的自旋选择性（CISS）效应已通过实验确认了一大类有机分子。对效果进行充分的建模仍然是一项艰巨的任务，现象学模型和第一原则模拟都产生了不确定的结果。基于K. Michaeli和R. Naaman先前提出的模型（J.Phys。ChemC 123，17043（2019）），我们系统地研究了一种有效的一维模型，该模型得出，该模型得出，该模型是具有强限制和包括旋转轨道耦合的3维量子系统的极限。具有简单的分析结构，可以将这些模型视为描述自旋依赖性效果的最小设置。我们使用绝热扰动理论提供了适用于大型自旋依赖性连续体模型的数学声音近似过程。我们通过分析其结构来利用模型的简单性，从而更好地了解自旋极化效应的发生和幅度与模型的参数和几何形状如何相关。
The chirality-induced spin selectivity (CISS) effect has been confirmed experimentally for a large class of organic molecules. Adequately modeling the effect remains a challenging task, with both phenomenological models and first-principle simulations yielding inconclusive results. Building upon a previously presented model by K. Michaeli and R. Naaman (J. Phys. Chem C 123, 17043 (2019)) we systematically investigate an effective 1-dimensional model derived as the limit of a 3-dimensional quantum system with strong confinement and including spin-orbit coupling. Having a simple analytic structure, such models can be considered a minimal setup for the description of spin-dependent effects. We use adiabatic perturbation theory to provide a mathematically sound approximation procedure applicable to a large class of spin-dependent continuum models. We take advantage of the models simplicity by analyzing its structure to gain a better understanding how the occurrence and magnitude of spin polarization effects relate to the model's parameters and geometry.
