Diagrams and symmetry in polaritonic coupled cluster theory

Laurenz Monzel; Stella Stopkowicz

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arXiv · 2407.00757

Diagrams and symmetry in polaritonic coupled cluster theory

Laurenz Monzel·Stella Stopkowicz

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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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Laurenz Monzel, Stella Stopkowicz. 2024-06-30. Diagrams and symmetry in polaritonic coupled cluster theory. https://arxiv.org/abs/2407.00757

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