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@ARTICLE{Schwickert:596412,
      author       = {Schwickert, David and Przystawik, Andreas and Diaman, Dian
                      and Kip, Detlef and Marangos, Jon and Laarmann, Tim},
      title        = {{C}oupled {E}lectron-{N}uclear {D}ynamics {I}nduced and
                      {M}onitored with {F}emtosecond {S}oft {X}-ray {P}ulses in
                      the {A}mino {A}cid {G}lycine},
      journal      = {The journal of physical chemistry / A},
      volume       = {128},
      number       = {6},
      issn         = {1089-5639},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {PUBDB-2023-06140},
      pages        = {989-995},
      year         = {2024},
      abstract     = {The coupling of electronic and nuclear motion in polyatomic
                      molecules is at the heart of attochemistry. The molecular
                      properties, transient structures, and reaction mechanism of
                      these many-body quantum objects are defined on the level of
                      electrons and ions by molecular wave functions and their
                      coherent superposition, respectively. In the present
                      contribution, we monitor nonadiabatic quantum wave packet
                      dynamics during molecular charge motion by reconstructing
                      both the oscillatory charge density distribution and the
                      characteristic time-dependent nuclear configuration
                      coordinate from time-resolved Auger electron spectroscopic
                      data recorded in previous studies on glycine molecules
                      [Schwickert et al. Sci. Adv. 2022, 8, eabn6848]. The
                      electronic and nuclear motion on the femtosecond time scale
                      was induced and probed in kinematically complete soft X-ray
                      experiments at the FLASH free-electron laser facility. The
                      detailed analysis of amplitude, instantaneous phase, and
                      instantaneous frequency of the propagating many-body wave
                      packet during its lifecycle provides unprecedented insight
                      into dynamical processes beyond the Born–Oppenheimer
                      approximation. We are confident that the refined
                      experimental data evaluation helps to develop new
                      theoretical tools to describe time-dependent molecular wave
                      functions in complicated but ubiquitous
                      non-Born–Oppenheimer photochemical conditions.},
      cin          = {FS-PS / DOOR ; HAS-User},
      ddc          = {530},
      cid          = {I:(DE-H253)FS-PS-20131107 / I:(DE-H253)HAS-User-20120731},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / 6G2 - FLASH (DESY) (POF4-6G2) / FS-Proposal:
                      F-20191551 (F-20191551) / DFG project 390715994 - EXC 2056:
                      CUI: Advanced Imaging of Matter (390715994) / DFG project
                      194651731 - EXC 1074: Hamburger Zentrum für ultraschnelle
                      Beobachtung (CUI): Struktur, Dynamik und Kontrolle von
                      Materie auf atomarer Skala (194651731)},
      pid          = {G:(DE-HGF)POF4-631 / G:(DE-HGF)POF4-6G2 /
                      G:(DE-H253)F-20191551 / G:(GEPRIS)390715994 /
                      G:(GEPRIS)194651731},
      experiment   = {EXP:(DE-H253)F-FL24-20150901},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {38315166},
      UT           = {WOS:001163311100001},
      doi          = {10.1021/acs.jpca.3c06517},
      url          = {https://bib-pubdb1.desy.de/record/596412},
}