Diagrams and symmetry in polaritonic coupled cluster theory
Laurenz Monzel, Stella Stopkowicz
TL;DR
This paper introduces a diagrammatic notation for quantum-electrodynamic coupled cluster theory, enabling efficient computation of polaritonic states and symmetry exploitation within cavity quantum electrodynamics.
Contribution
It generalizes existing diagrammatic notation to QED-CC, facilitating the study of polaritonic states and symmetry considerations in cavity QED.
Findings
New diagrammatic notation for QED-CC equations
Enhanced efficiency through symmetry exploitation
Application to polaritonic ground and excited states
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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Taxonomy
TopicsStrong Light-Matter Interactions · Porphyrin and Phthalocyanine Chemistry