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Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling.
Jakub Fojt1, Tuomas P Rossi2, Tomasz J Antosiewicz3
1Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.
The Journal of Chemical Physics
|March 9, 2021
Summary
This study introduces a subsystem approach to accurately predict optical spectra in nanoparticle-molecule assemblies, reducing computational demands for strong light-matter interactions.
Area of Science:
- Quantum optics
- Materials science
- Computational chemistry
Background:
- Strong light-matter interactions are crucial for quantum optics and materials property modification.
- Advanced theoretical methods for these interactions are computationally intensive.
Purpose of the Study:
- To develop a computationally efficient method for predicting optical spectra in nanoparticle-molecule assemblies.
- To accurately capture strong coupling effects in these systems.
Main Methods:
- A subsystem approach coupling response functions at the dipolar level.
- Comparison with time-dependent density functional theory (TD-DFT) for validation.
Main Results:
- The subsystem approach accurately predicts optical spectra, including strong coupling effects.
- Validated against TD-DFT for aluminum nanoparticle-benzene molecule systems.
Conclusions:
- The subsystem approach offers a computationally feasible alternative for studying light-matter interactions.
- The method is scalable to larger systems and can incorporate optical cavities.
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