376 citations · 2k across the 34 of their papers we have counts for
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Cavity Jahn-Teller Polaritons in Molecules
Krishna Nandipati, Oriol Vendrell
We investigate Jahn-Teller (JT) polaritons, which emerge from the interaction of the two normal-incidence electromagnetic modes with perpendicular polarizations in a Fabry-Perot ca…
Sum-of-products form of the molecular electronic Hamiltonian and application within the MCTDH method
Sudip Sasmal, Oriol Vendrell
We introduce two different approaches to represent the second-quantized electronic Hamiltonian in a sum-of-products form. These procedures aim at mitigating the quartic scaling of…
State-resolved infrared spectrum of the protonated water dimer: Revisiting the characteristic proton transfer doublet peak
Henrik R. Larsson, Markus Schröder, Richard Beckmann +4
The infrared (IR) spectra of protonated water clusters encode precise information on the dynamics and structure of the hydrated proton. However, the strong anharmonic coupling and…
The coupling of the hydrated proton to its first solvation shell
Markus Schröder, Fabien Gatti, David Lauvergnat +2
The transfer of a hydrated proton between water molecules in aqueous solution is accompanied by the large-scale structural reorganization of the environment as the proton relocates…