Controlling the optical behavior of molecules near the vicinity of noble metal nanoparticles continues to be an active research area in nanoscience. It is by now well known that the metal nanoparticles can strongly affect the response properties of molecules, which is explored in techniques like plasmon resonance sensing, surface-enhanced Raman scattering (SERS) and metal-enhanced fluorescence. However, a detailed understanding of how plasmons interact with molecules poses a significant challenge. Here we present our recent progress on developing a reliable and efficient hybrid computational method that bridges classical electrodynamics and electronic structure theory so as elucidate and control the strong molecule-plasmon interactions to achieve unusual optical properties. We will focus on descriping advances in the general method and application to the coupling between molecular excited states and plasmons.

Understanding and controlling molecule-plasmon interactions

243rd National Meeting (2012)

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