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Topological Origins of Bound States in the Continuum for Systems with Conical Intersections
The Journal of Physical Chemistry Letters ( IF 5.7 ) Pub Date : 2017-12-21 00:00:00 , DOI: 10.1021/acs.jpclett.7b02791
Sarah Henshaw 1, 2 , Artur F. Izmaylov 1, 2
Affiliation  

Bound states in the continuum (BSCs) were reported in a linear vibronic coupling model with a conical intersection (CI) [Cederbaum et al. Phys. Rev. Lett.2003, 90, 013001]. It was also found that these states are destroyed within the Born–Oppenheimer approximation (BOA). We investigate whether a nontrivial topological or geometric phase (GP) associated with the CI is responsible for BSCs. To address this question we explore modifications of the original 2D two-state linear vibronic coupling model supporting BSCs. These modifications either add GP effects after the BOA or remove the GP within a two-state problem. Using the stabilization graph technique we have shown that the GP is crucial for emergence of BSCs.

中文翻译:

具有圆锥形相交的系统的连续体中束缚态的拓扑起源

在具有圆锥形交点(CI)的线性振动耦合模型中,报告了连续体(BSC)的束缚态[Cederbaum等。物理 莱特牧师 200390,013001]。还发现这些状态在Born–Oppenheimer近似(BOA)中被破坏。我们调查与CI相关的非平凡的拓扑阶段或几何阶段(GP)是否负责BSC。为了解决这个问题,我们探索了对支持BSC的原始2D二维线性线性振动耦合模型的修改。这些修改可以在BOA之后添加GP效果,也可以在两个状态的问题中删除GP。使用稳定图技术,我们已经证明了GP对于BSC的出现至关重要。
更新日期:2017-12-21
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