The DePrince Research Group



We develop new methods and algorithms for electronic structure theory. Click the links below to find out more!

Plasmon-molecule interactions

We are developing a fully quantum-mechanical method to describe plasmon-molecule interactions in the time domain. As a proof of principle, consider the interaction of H2 with a hypothetical plasmonic particle whose resonance overlaps with the Σg+ to Σu+ excitation in H2. The interference between the plasmon and molecular excitations gives rise to a Fano-like resonance whose character depends strongly on the alignment of external electric fields and the molecular axis of H2.