Topological Origins of Bound States in the Continuum for Systems with Conical Intersections

Sarah Henshaw; Artur F Izmaylov

doi:10.1021/acs.jpclett.7b02791

Topological Origins of Bound States in the Continuum for Systems with Conical Intersections

J Phys Chem Lett. 2018 Jan 4;9(1):146-149. doi: 10.1021/acs.jpclett.7b02791. Epub 2017 Dec 21.

Authors

Sarah Henshaw^{1

2}, Artur F Izmaylov^{1

2}

Affiliations

¹ Department of Physical and Environmental Sciences, University of Toronto Scarborough , Toronto, Ontario M1C 1A4, Canada.
² Chemical Physics Theory Group, Department of Chemistry, University of Toronto , Toronto, Ontario M5S 3H6, Canada.

PMID: 29260570
DOI: 10.1021/acs.jpclett.7b02791

Abstract

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.