Electronic Dynamics of a Molecular System Coupled to a Plasmonic Nanoparticle Combining the Polarizable Continuum Model and Many-Body Perturbation Theory.

ABSTRACT: The efficiency of plasmonic metallic nanoparticles in harvesting and concentrating light energy in their proximity triggers a wealth of important and intriguing phenomena. For example, spectroscopies are able to reach single-molecule and intramolecule sensitivities, and important chemical reactions can be effectively photocatalyzed. For the real-time description of the coupled dynamics of a molecule's electronic system and of a plasmonic nanoparticle, a methodology has been recently proposed (J. Phys. Chem. C. 120, 2016, 28774-28781) which combines the classical description of the nanoparticle as a polarizable continuum medium with a quantum-mechanical description of the molecule treated at the time-dependent configuration interaction (TDCI) level. In this work, we extend this methodology

SUBMITTER: Marsili M 

PROVIDER: S-EPMC9150096 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature