Localized surface plasmons can have a profound effect on the properties of nearby molecules, and strong coupling between plasmonic and electronic modes can lead to hybrid states with interesting optical and electronic properties. I will discuss a cavity-quantum-electrodynamics-based approach for modeling plasmon-molecule interactions in which the simple Jaynes-Cummings-type model Hamiltonian is replaced with one in which electronic structure of the molecule is described in a fully ab initio way. The resulting framework can be used to simulate plasmon-molecule interactions at the cost of real-time time-dependent Hartree-Fock theory.

Time-dependent electronic structure methods for plasmon-molecule interactions

256th National Meeting (2018)

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