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Journal Article

Quantum plasmonics: from jellium models to ab initio calculations


Rubio,  Angel
Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Universidad del País Vasco UPV/EHU, CFM CSIC-UPV/EHU, Av. de Tolosa 72, E-20018 Donostia, San Sebastián, Spain;
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany;

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Varas, A., García-González, P., Feist, J., García-Vidal, F. J., & Rubio, A. (2016). Quantum plasmonics: from jellium models to ab initio calculations. Nanophotonics, 5(3), 409-426. doi:10.1515/nanoph-2015-0141.

Cite as: https://hdl.handle.net/11858/00-001M-0000-002B-1E5F-D
Light-matter interaction in plasmonic nanostructures is often treated within the realm of classical optics. However, recent experimental findings show the need to go beyond the classical models to explain and predict the plasmonic response at the nanoscale. A prototypical system is a nanoparticle dimer, extensively studied using both classical and quantum prescriptions. However, only very recently, fully ab initio time-dependent density functional theory (TDDFT) calculations of the optical response of these dimers have been carried out. Here, we review the recent work on the impact of the atomic structure on the optical properties of such systems. We show that TDDFT can be an invaluable tool to simulate the time evolution of plasmonic modes, providing fundamental understanding into the underlying microscopical mechanisms.