自旋轨道耦合和奇数电子系统的化学反应速率：Berry相是否导致两态交叉的有意义的自旋相关核动力学？
Chemical Reaction Rates for Systems with Spin-Orbit Coupling and an Odd Number of Electrons: Does Berry's Phase Lead to Meaningful Spin-Dependent Nuclear Dynamics for a Two State Crossing?
摘要：
在非常简单的避免交叉的背景下，我们调查的调查复杂的非绝热耦合在确定自旋相关的速率常数和散射状态的效果。我们发现，如果分子的几何形状不是线性的和Berry力不为零，人们可以找到显着的自旋极化的产品。这项研究强调，当分析非绝热反应与自旋轨道耦合（和复杂的哈密顿量），必须考虑如何贝里力影响核运动-至少在气相反应的背景下。目前正在进行的工作，尽可能外推这些结论的凝聚相，有趣的自旋选择已经观察到在最近几年。
英文摘要：
Within the context of very simple avoided crossing, we investigate the investigate the effect of a complex diabatic coupling in determining spin-dependent rate constants and scattering states. We find that, if the molecular geometry is not linear and the Berry force is not zero, one can find significant spin polarization of the products. This study emphasizes that, when analyzing nonadiabatic reactions with spin orbit coupling (and a complex Hamiltonian), one must consider how Berry force affects nuclear motion -- at least in the context of gas phase reactions. Work is currently ongoing as far as extrapolating these conclusions to the condensed phase where interesting spin selection has been observed in recent years.
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