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@ARTICLE{Sidler:454077,
      author       = {Sidler, Dominik and Schäfer, Christian and Ruggenthaler,
                      Michael and Rubio, Angel},
      title        = {{P}olaritonic {C}hemistry: {C}ollective {S}trong {C}oupling
                      {I}mplies {S}trong {L}ocal {M}odification of {C}hemical
                      {P}roperties},
      journal      = {The journal of physical chemistry letters},
      volume       = {12},
      number       = {1},
      issn         = {1948-7185},
      address      = {Washington, DC},
      publisher    = {ACS},
      reportid     = {PUBDB-2021-00408},
      pages        = {508 - 516},
      year         = {2021},
      abstract     = {A fundamental question in the field of polaritonic
                      chemistry is whether collective coupling implies local
                      modifications of chemical properties scaling with the
                      ensemble size. Here we demonstrate from first-principles
                      that an impurity present in a collectively coupled chemical
                      ensemble features such locally scaling modifications. In
                      particular, we find the formation of a novel dark state for
                      a nitrogen dimer chain of variable size, whose local
                      chemical properties are altered considerably at the impurity
                      due to its embedding in the collectively coupled
                      environment. Our simulations unify theoretical predictions
                      from quantum optical models (e.g., collective dark states
                      and bright polaritonic branches) with the single molecule
                      quantum chemical perspective, which relies on the
                      (quantized) redistribution of charges leading to a local
                      hybridization of light and matter. Moreover, our findings
                      suggest that recently developed ab initio methods for strong
                      light-matter coupling are suitable to access these local
                      polaritonic effects and provide a detailed understanding of
                      photon-modified chemistry.},
      cin          = {MPSD / CFEL-MPT},
      ddc          = {530},
      cid          = {I:(DE-H253)MPSD-20120731 / I:(DE-H253)CFEL-MPT-20160915},
      pnm          = {899 - ohne Topic (POF4-899)},
      pid          = {G:(DE-HGF)POF4-899},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {33373238},
      UT           = {WOS:000667301800023},
      doi          = {10.1021/acs.jpclett.0c03436},
      url          = {https://bib-pubdb1.desy.de/record/454077},
}