Time-dependent electronic structure methods for plasmon-molecule interactions

Localized surface plasmons can have a profound effect on the properties of nearby molecules. 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.