Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling
Journal article, 2021

Strong light-matter interactions facilitate not only emerging applications in quantum and non-linear optics but also modifications of properties of materials. In particular, the latter possibility has spurred the development of advanced theoretical techniques that can accurately capture both quantum optical and quantum chemical degrees of freedom. These methods are, however, computationally very demanding, which limits their application range. Here, we demonstrate that the optical spectra of nanoparticle-molecule assemblies, including strong coupling effects, can be predicted with good accuracy using a subsystem approach, in which the response functions of different units are coupled only at the dipolar level. We demonstrate this approach by comparison with previous time-dependent density functional theory calculations for fully coupled systems of Al nanoparticles and benzene molecules. While the present study only considers few-particle systems, the approach can be readily extended to much larger systems and to include explicit optical-cavity modes.


Jakub Fojt

Chalmers, Physics, Condensed Matter and Materials Theory

T. P. Rossi

Aalto University

Tomasz Antosiewicz

University of Warsaw

Mikael Juhani Kuisma

University of Jyväskylä

Paul Erhart

Chalmers, Physics, Condensed Matter and Materials Theory

Journal of Chemical Physics

0021-9606 (ISSN) 1089-7690 (eISSN)

Vol. 154 9 0037853

Nanolegeringar för plasmoniska tillämpningar

Swedish Research Council (VR) (2015-04153), 2016-01-01 -- 2019-12-31.

Plasmon-exciton coupling at the attosecond-subnanometer scale: Tailoring strong light-matter interactions at room temperature

Knut and Alice Wallenberg Foundation (2019.0140), 2020-07-01 -- 2025-06-30.

Areas of Advance

Nanoscience and Nanotechnology

Materials Science


C3SE (Chalmers Centre for Computational Science and Engineering)

Subject Categories

Atom and Molecular Physics and Optics

Other Physics Topics

Condensed Matter Physics





Related datasets

Data and code for "Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling" [dataset]

DOI: 10.5281/zenodo.4095509

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