Mixed quantum-classical theory (quantum matter plus classical electrodynamics fields) is developed to enable accurate and feasible treatment of strong light-matter interactions for realistic molecular systems. The dynamics of a quantum system strongly interacting with lights usually involves multiple timescales (nuclear motions versus optical frequencies), heterogeneous environments (optical cavities and nanostrucstrures), and emerging quantum effects (hybridization of electronic and photonic excitations), rendering traditional semiclassical electrodynamics difficult to capture many exciting phenomena that arise from these complex dynamical processes. We investigate a variety of fundamental dynamical processes ranging from spontaneous emission, Raman scattering, resonance fluorescence, to resonant energy transfer, and work on improving semiclassical electrodynamic models to recover quantum features of the photon field and incorporate with existing molecular dynamics and electronic structure calculations. Our results highlight the fact that, when properly designed, mixed quantum-classical electrodynamics can provide cheap, semiclassical approaches offering intuitive insights and new possibilities for modeling many exciting phenomena involving strong light-matter coupling, especially in the fields of nanoplasmonics and quantum optics.

Mixed quantum-classical electrodynamics: Novel semiclassical approaches for photoexcitation and spectroscopy

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.