Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory.

ABSTRACT: Plasmonic nanocavities enable the confinement of molecules and electromagnetic fields within nanometric volumes. As a consequence, the molecules experience a remarkably strong interaction with the electromagnetic field to such an extent that the quantum states of the system become hybrids between light and matter: polaritons. Here, we present a nonperturbative method to simulate the emerging properties of such polaritons: it combines a high-level quantum chemical description of the molecule with a quantized description of the localized surface plasmons in the nanocavity. We apply the method to molecules of realistic complexity in a typical plasmonic nanocavity, featuring also a subnanometric asperity (picocavity). Our results disclose the effects of the mutual polarization and correlation

SUBMITTER: Fregoni J 

PROVIDER: S-EPMC8361433 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature