@misc{JayNorellKunnusetal.2018,
  author    = {Jay, Raphael J. and Norell, Jesper and Kunnus, Kristjan and Lundberg, Marcus and Gaffney, Kelly and Wernet, Philippe and Odelius, Michael and F{\"o}hlisch, Alexander},
  title     = {Dynamcis of local charge densities and metal-ligand covalency in iron complexes from femtosecond resonant inelastic soft X-ray scattering},
  series = {Abstracts of Papers of the American Chemical Society},
  volume    = {256},
  journal   = {Abstracts of Papers of the American Chemical Society},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0065-7727},
  url       = {http://nbn-resolving.de/urn:nbn:se:uu:diva-370051},
  pages     = {2},
  year      = {2018},
  language  = {en}
}
@article{GiangrisostomiOvsyannikovSorgenfreietal.2018,
  author    = {Giangrisostomi, Erika and Ovsyannikov, Ruslan and Sorgenfrei, Florian and Zhang, Teng and Lindblad, Andreas and Sassa, Yasmine and Cappel, Ute B. and Leitner, Torsten and Mitzner, Rolf and Svensson, Svante and Martensson, Nils and F{\"o}hlisch, Alexander},
  title     = {Low Dose Photoelectron Spectroscopy at BESSY II},
  series = {Journal of electron spectroscopy and related phenomena : the international journal on theoretical and experimental aspects of electron spectroscopy},
  volume    = {224},
  journal   = {Journal of electron spectroscopy and related phenomena : the international journal on theoretical and experimental aspects of electron spectroscopy},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0368-2048},
  doi       = {10.1016/j.elspec.2017.05.011},
  pages     = {68 -- 78},
  year      = {2018},
  abstract  = {The implementation of a high-transmission, angular-resolved time-of-Right electron spectrometer with a 1.25 MHz pulse selector at the PM4 soft X-ray dipole beamline of the synchrotron BESSY II creates unique capabilities to inquire electronic structure via photoelectron spectroscopy with a minimum of radiation dose. Solid-state samples can be prepared and characterized with standard UHV techniques and rapidly transferred from various preparation chambers to a 4-axis temperature-controlled measurement stage. A synchronized MHz laser system enables excited-state characterization and dynamical studies starting from the picosecond timescale. This article introduces the principal characteristics of the PM4 beamline and LowDosePES end-station. Recent results from graphene, an organic hole transport material for solar cells and the transition metal dichalcogenide MoS2 are presented to demonstrate the instrument performances.},
  language  = {en}
}
@article{ErtanSavchenkoIgnatovaetal.2018,
  author    = {Ertan, Emelie and Savchenko, Viktoriia and Ignatova, Nina and Vaz da Cruz, Vinicius and Couto, Rafael C. and Eckert, Sebastian and Fondell, Mattis and Dantz, Marcus and Kennedy, Brian and Schmitt, Thorsten and Pietzsch, Annette and F{\"o}hlisch, Alexander and Odelius, Michael and Kimberg, Victor},
  title     = {Ultrafast dissociation features in RIXS spectra of the water molecule},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {20},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  number    = {21},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/c8cp01807c},
  pages     = {14384 -- 14397},
  year      = {2018},
  abstract  = {In this combined theoretical and experimental study we report on an analysis of the resonant inelastic X-ray scattering (RIXS) spectra of gas phase water via the lowest dissociative core-excited state |1s-1O4a11〉. We focus on the spectral feature near the dissociation limit of the electronic ground state. We show that the narrow atomic-like peak consists of the overlapping contribution from the RIXS channels back to the ground state and to the first valence excited state |1b-114a11〉 of the molecule. The spectral feature has signatures of ultrafast dissociation (UFD) in the core-excited state, as we show by means of ab initio calculations and time-dependent nuclear wave packet simulations. We show that the electronically elastic RIXS channel gives substantial contribution to the atomic-like resonance due to the strong bond length dependence of the magnitude and orientation of the transition dipole moment. By studying the RIXS for an excitation energy scan over the core-excited state resonance, we can understand and single out the molecular and atomic-like contributions in the decay to the lowest valence-excited state. Our study is complemented by a theoretical discussion of RIXS in the case of isotopically substituted water (HDO and D2O) where the nuclear dynamics is significantly affected by the heavier fragments' mass.},
  language  = {en}
}
@article{EckertVazdaCruzErtanetal.2018,
  author    = {Eckert, Sebastian and Vaz da Cruz, Vinicius and Ertan, Emelie and Ignatova, Nina and Polyutov, Sergey and Couto, Rafael C. and Fondell, Mattis and Dantz, Marcus and Kennedy, Brian and Schmitt, Thorsten and Pietzsch, Annette and Odelius, Michael and F{\"o}hlisch, Alexander},
  title     = {One-dimensional cuts through multidimensional potential-energy surfaces by tunable x rays},
  series = {Physical review : A, Atomic, molecular, and optical physics},
  volume    = {97},
  journal   = {Physical review : A, Atomic, molecular, and optical physics},
  number    = {5},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2469-9926},
  doi       = {10.1103/PhysRevA.97.053410},
  pages     = {7},
  year      = {2018},
  abstract  = {The concept of the potential-energy surface (PES) and directional reaction coordinates is the backbone of our description of chemical reaction mechanisms. Although the eigenenergies of the nuclear Hamiltonian uniquely link a PES to its spectrum, this information is in general experimentally inaccessible in large polyatomic systems. This is due to (near) degenerate rovibrational levels across the parameter space of all degrees of freedom, which effectively forms a pseudospectrum given by the centers of gravity of groups of close-lying vibrational levels. We show here that resonant inelastic x-ray scattering (RIXS) constitutes an ideal probe for revealing one-dimensional cuts through the ground-state PES of molecular systems, even far away from the equilibrium geometry, where the independent-mode picture is broken. We strictly link the center of gravity of close-lying vibrational peaks in RIXS to a pseudospectrum which is shown to coincide with the eigenvalues of an effective one-dimensional Hamiltonian along the propagation coordinate of the core-excited wave packet. This concept, combined with directional and site selectivity of the core-excited states, allows us to experimentally extract cuts through the ground-state PES along three complementary directions for the showcase H2O molecule.},
  language  = {en}
}