Diagrams and symmetry in polaritonic coupled cluster theory
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.
- Publication:
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arXiv e-prints
- Pub Date:
- June 2024
- DOI:
- 10.48550/arXiv.2407.00757
- arXiv:
- arXiv:2407.00757
- Bibcode:
- 2024arXiv240700757M
- Keywords:
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- Physics - Chemical Physics