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physics.chem-ph2024★ 2 cited
Diagrams and symmetry in polaritonic coupled cluster theory
Laurenz Monzel, Stella Stopkowicz
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…
physics.chem-ph2021
Ab-Initio Molecular Dynamics with Screened Lorentz Forces. Part II. Efficient Propagators and Rovibrational Spectra in Strong Magnetic Fields
Laurens D. M. Peters, Tanner Culpitt, Laurenz Monzel +2
Strong magnetic fields have a large impact on the dynamics of molecules. In addition to the changes of the electronic structure, the nuclei are exposed to the Lorentz force with th…