Frequency-Dependent Sternheimer Linear-Response Formalism for Strongly Coupled Light-Matter Systems.

ABSTRACT: The rapid progress in quantum-optical experiments, especially in the field of cavity quantum electrodynamics and nanoplasmonics, allows one to substantially modify and control chemical and physical properties of atoms, molecules, and solids by strongly coupling to the quantized field. Alongside such experimental advances has been the recent development of ab initio approaches such as quantum electrodynamical density-functional theory (QEDFT), which is capable of describing these strongly coupled systems from first principles. To investigate response properties of relatively large systems coupled to a wide range of photon modes, ab initio methods that scale well with system size become relevant. In light of this, we extend the linear-response Sternheimer approach within the framework of QED

SUBMITTER: Welakuh DM 

PROVIDER: S-EPMC9281401 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature