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Molecular orbital theory in cavity QED environments
Rosario R. Riso, Tor S. Haugland, Enrico Ronca +1
Coupling between molecules and vacuum photon fields inside an optical cavity has proven to be an effective way to engineer molecular properties, in particular reactivity. To ease t…
A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity
Dominik Sidler, Michael Ruggenthaler, Christian Schäfer +2
This perspective provides a brief introduction into the theoretical complexity of polaritonic chemistry, which emerges from the hybrid nature of strongly coupled light-matter state…
Shining Light on the Microscopic Resonant Mechanism Responsible for Cavity-Mediated Chemical Reactivity
Christian Schäfer, Johannes Flick, Enrico Ronca +2
Strong light-matter interaction in cavity environments is emerging as a promising approach to control chemical reactions in a non-intrusive and efficient manner. The underlying mec…