The Manhattan exciton size: A physically tractable delocalization measure

Delocalized excitations, denoted excitons, play an important role in many systems in chemical physics. The characterization of their extent of delocalization is a crucial element in understanding these quasiparticles. In this paper, I will revisit the most common delocalization measures applied to Frenkel-type excitons. Based on this analysis, I propose to use a so-far ignored measure. The key advantage of this measure, which I will denote as the Manhattan exciton size, is that it directly connects with the oscillator strength of the excitons. It provides a strict upper bound on the oscillator strength of any given exciton for linear aggregates. Finally, I demonstrate that this exciton delocalization measure is more sensible for analyzing super-radiant states compared to, for example, the most commonly applied measure, i.e., the (inverse) participation ratio. However, these two measures together provide insight into the degree of exciton confinement.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-02-20
DOI
https://doi.org/10.1063/5.0253831
Citations
1
Primary Topic
Spectroscopy and Quantum Chemical Studies
Type
article
Field-Weighted Citation Impact
1.25
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article

The Manhattan exciton size: A physically tractable delocalization measure

Thomas L. C. Jansen
1 citations
The Journal of Chemical Physics
Spectroscopy and Quantum Chemical Studies
1.25
article

The Manhattan exciton size: A physically tractable delocalization measure

Thomas L. C. Jansen
article en
1 citations

Abstract

Delocalized excitations, denoted excitons, play an important role in many systems in chemical physics. The characterization of their extent of delocalization is a crucial element in understanding these quasiparticles. In this paper, I will revisit the most common delocalization measures applied to Frenkel-type excitons. Based on this analysis, I propose to use a so-far ignored measure. The key advantage of this measure, which I will denote as the Manhattan exciton size, is that it directly connects with the oscillator strength of the excitons. It provides a strict upper bound on the oscillator strength of any given exciton for linear aggregates. Finally, I demonstrate that this exciton delocalization measure is more sensible for analyzing super-radiant states compared to, for example, the most commonly applied measure, i.e., the (inverse) participation ratio. However, these two measures together provide insight into the degree of exciton confinement.

The Journal of Chemical PhysicsVol. 162(7)
University of Groningen (NL)
Reduced inequalities
Openalex Percentile: Top 24%
Spectroscopy and Quantum Chemical Studies
1.25
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