Diagrams in Polaritonic Coupled Cluster Theory
Laurenz Monzel, Stella Stopkowicz
Abstract
We present a diagrammatic notation to derive the quantum-electrodynamic coupled cluster (QED-CC) equations needed for the description for polaritonic ground and excited states. Our presented notation is a generalization of the existing diagrammatic notation of standard electronic coupled-cluster theory. It is used to derive the QED-CC and QED-EOM-CC equations for the QED-CCSD-1-SD and QED-CCSD-12-SD truncation schemes. Furthermore, we present the diagrams for the CC Λ-equations and reduced density matrices which are needed for the calculation of molecular properties.
Topics & Concepts
Cluster (spacecraft)Coupled clusterPhysicsStatistical physicsTheoretical physicsComputer scienceQuantum mechanicsMoleculeProgramming languageStrong Light-Matter InteractionsThermal Radiation and Cooling TechnologiesPlasmonic and Surface Plasmon Research