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. 2022 Feb 15;9(4):1096–1107. doi: 10.1021/acsphotonics.1c01749

Table 1. Summary of the Theoretical Approaches for Polaritonic Photochemistrya.

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a

The level of description of polaritonic states depends on the description of the uncoupled subcomponents (electronic and photonic). The QED-CC and QE-DFT, instead, compute directly the polaritonic states without resorting to the uncoupled states. The polaritonic calculation can then be paired with the nuclear dynamics techniques reported on the right-hand side of the table.