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Diagrams and symmetry in polaritonic coupled cluster theory

Published 30 Jun 2024 in physics.chem-ph | (2407.00757v1)

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. Further, we discuss point-group symmetry inside a cavity and its exploitation within a QED-CC code for efficiency and the targeted treatment of excited states.

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