Journal
NANOPHOTONICS
Volume 5, Issue 3, Pages 409-426Publisher
WALTER DE GRUYTER GMBH
DOI: 10.1515/nanoph-2015-0141
Keywords
ab initio methods; plasmonics; nanoparticles; optical absorption; TDDFT
Categories
Funding
- European Research Council (ERC) [267374, 290891]
- Spanish Government [MAT2011-28581-C02-01, FIS2013-46159-C3-1-P, MAT2014-53432-C5-5-R]
- Basque Country Government (Grupos Consolidados) [IT-57813]
- COST Action (EUSpec) [MP1306]
- Spanish Ministry of Economy and Competitiveness through the Maria de Maeztu Programme for Units of Excellence in RD [MDM-2014-0377]
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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.
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