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| Main Authors: | , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2407.00757 |
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| _version_ | 1866916307752976384 |
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| author | Monzel, Laurenz Stopkowicz, Stella |
| author_facet | Monzel, Laurenz Stopkowicz, Stella |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2407_00757 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Diagrams and symmetry in polaritonic coupled cluster theory Monzel, Laurenz Stopkowicz, Stella Chemical Physics 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. |
| title | Diagrams and symmetry in polaritonic coupled cluster theory |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2407.00757 |