Simulating a catalyst induced quantum dynamical phase transition of a Heyrovsky reaction with different models for the environment

@article{LozanoNegro2022SimulatingAC,
  title={Simulating a catalyst induced quantum dynamical phase transition of a Heyrovsky reaction with different models for the environment},
  author={Fabricio S. Lozano-Negro and Marcos A Ferreyra-Ortega and Denise Bendersky and Lucas Fern'andez-Alc'azar and Horacio M Pastawski},
  journal={Journal of Physics: Condensed Matter},
  year={2022},
  volume={34}
}
Through an appropriate election of the molecular orbital basis, we show analytically that the molecular dissociation occurring in a Heyrovsky reaction can be interpreted as a quantum dynamical phase transition, i.e., an analytical discontinuity in the molecular energy spectrum induced by the catalyst. The metallic substrate plays the role of an environment that produces an energy uncertainty on the adatom. This broadening induces a critical behavior not possible in a quantum closed system. We… 
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