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  • 1.
    Bolognesi, P.
    et al.
    CNR, Ist Struttura Mat, UOS Montelibretti, Area Ric Roma1, I-00185 Rome, Italy..
    O'Keeffe, P.
    CNR, Ist Struttura Mat, UOS Montelibretti, Area Ric Roma1, I-00185 Rome, Italy..
    Mazza, T.
    European XFEL GmbH, D-22761 Hamburg, Germany..
    Bozek, J.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Coffee, R.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Bostedt, C.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Schorb, S.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Carron, S.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden..
    Guehr, M.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Sistrunk, E. F.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Grilj, J.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    McFarland, B. K.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Koch, M.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Larsson, M.
    Univ Stockholm, Dept Phys, S-10691 Stockholm, Sweden..
    Salem, P.
    Univ Stockholm, Dept Phys, S-10691 Stockholm, Sweden..
    Berrah, N.
    Univ Connecticut, Dept Phys, Storrs, CT 06269 USA..
    Fang, L.
    Univ Connecticut, Dept Phys, Storrs, CT 06269 USA..
    Osipov, T.
    Univ Connecticut, Dept Phys, Storrs, CT 06269 USA..
    Murphy, B.
    Univ Connecticut, Dept Phys, Storrs, CT 06269 USA..
    Lucchese, R. R.
    Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA..
    Meyer, M.
    European XFEL GmbH, D-22761 Hamburg, Germany..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Ueda, K.
    Tohoku Univ, Dept Phys, Sendai, Miyagi 9808577, Japan..
    Mondal, S.
    Tohoku Univ, Dept Phys, Sendai, Miyagi 9808577, Japan..
    Miron, C.
    Synchrotron SOLEIL, F-91192 Gif Sur Yvette, France..
    Richter, R.
    Elettra Sincrotrone Trieste, I-34149 Basovizza, Italy..
    Prince, K. C.
    Elettra Sincrotrone Trieste, I-34149 Basovizza, Italy..
    Takahashi, O.
    Hiroshima Univ, Dept Chem, Hiroshima, Japan..
    Avaldi, L.
    CNR, Ist Struttura Mat, UOS Montelibretti, Area Ric Roma1, I-00185 Rome, Italy.;Elettra Sincrotrone Trieste, I-34149 Basovizza, Italy..
    A study of the dynamical energy flow in uracil2015In: Journal of Physics, Conference Series, ISSN 1742-6588, E-ISSN 1742-6596, Vol. 635, article id 112062Article in journal (Refereed)
    Abstract [en]

    The time resolved photoionization of C 1s in uracil following excitation of the neutral molecule by 260 nm pulses has been studied at LCLS.

  • 2.
    Eland, J. H. D.
    et al.
    Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England.;Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Squibb, R. J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Zagorodskikh, Sergey
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Linusson, P.
    Stockholm Univ, Dept Phys, AlbaNova Univ Ctr, SE-10691 Stockholm, Sweden..
    Feifel, R.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Direct observation of three-electron collective decay in a resonant Auger process2015In: New Journal of Physics, ISSN 1367-2630, E-ISSN 1367-2630, Vol. 17, article id 122001Article in journal (Refereed)
    Abstract [en]

    Using a multi-electron coincidence technique combined with synchrotron radiation we demonstrate the real existence of the elusive three-electron collective process in resonant Auger decay of Kr. The three-electron process is about 40 times weaker than the competing two-electron processes.

  • 3.
    Eland, John H. D.
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    Linusson, P.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    Homonuclear site-specific photochemistry by an ion-electron multi-coincidence spectroscopy technique2012In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 548, p. 90-94Article in journal (Refereed)
    Abstract [en]

    By combining multi-particle coincidence detection of electrons and ions with ionisation by soft X-ray synchrotron radiation we demonstrate an effective tool for atomic spectroscopy and site-specific photochemistry. Its most novel capability is application to molecular fragmentation after K-shell vacancy production in atoms distinguished only by their chemical environment.

  • 4.
    Eland, John H. D.
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Zagorodskikh, Sergey
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Squibb, Richard J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Sorensen, S. L.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Carbon dioxide ion dissociations after inner shell excitation and ionization: The origin of site-specific effects2014In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 140, no 18, p. 184305-Article in journal (Refereed)
    Abstract [en]

    Multi-coincidence experiments with detection of both electrons and ions from decay of core-excited and core-ionized states of CO2 confirm that O-2(+) is formed specifically in Auger decay from the C1s-pi* and O1s-pi* resonances. Molecular rearrangement occurs by bending in the resonant states, and O-2(+) is produced by both single and double Auger decay. It is suggested that electron capture by C+ after partial dissociation in the doubly ionized core of excited CO2+, formed by shake-up in spectator resonant Auger decay, accounts for high kinetic energy and high internal energy in some C + O-2(+) fragments.

  • 5.
    Fasshauer, Elke
    et al.
    Univ Tromsø, Dept Chem, Ctr Theoret & Computat Chem, Tromsø, Norway.
    Förstel, Marko
    Max Planck Inst Plasma Phys, Garching, Germany; Tech Univ Berlin, Inst Opt & Atomare Phys, Berlin, Germany.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Max Planck Inst Plasma Phys, Garching, Germany.
    Anion, Tiberiu
    Max Planck Inst Plasma Phys, Garching, Germany; DESY, Ctr Free Electron Laser Sci, Hamburg, Germany.
    Hergenhahn, Uwe
    Leibniz Inst Surface Modificat, Leipzig, Germany; Max Planck Inst Plasma Phys, Greifswald, Germany.
    Theoretical and experimental investigation of Electron Transfer Mediated Decay in ArKr clusters2017In: Chemical Physics, ISSN 0301-0104, E-ISSN 1873-4421, Vol. 482, p. 226-238Article in journal (Refereed)
    Abstract [en]

    We investigate the electronic decay of an Ar 3s(-1) vacancy in medium sized ArKr clusters. The only energetically accessible, radiationless decay mechanism is Electron Transfer Mediated Decay Three (ETMD3). Here, the argon vacancy is filled by an electron from one krypton atom, and the excess energy is transferred to a second krypton atom which consequently emits an electron. For the theoretical calculation of ETMD3 spectra, in a bottom-up approach, we study the dependence of the decay width on the geometry of elementary sets of three atoms, from which any cluster can be composed. We simulate the ETMD3 spectra of medium sized ArKr clusters and compare the resulting spectra to experimental ETMD electron spectra presented earlier (Forstel et al, 2011) and in this work. We show that ETMD3 is the dominating relaxation mechanism for the cases studied here. Experimental secondary electron spectra from ArKr clusters are compared to pure Ar and pure Kr clusters.

  • 6.
    Fasshauer, Elke
    et al.
    Arctic Univ Norway, Ctr Theoret & Computat Chem, Dept Chem, Univ Tromsø, Tromsø, Norway.
    Förstel, Marko
    Max Planck Inst Plasma Phys, Garching, Germany; Tech Univ Berlin, Inst Opt & Atomare Phys, Berlin, Germany.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Max Planck Inst Plasma Phys, Garching, Germany.
    Arion, Tiberiu
    Max Planck Inst Plasma Phys, Germany; DESY, Ctr Free Electron Laser Sci, Hamburg, Germany.
    Hergenhahn, Uwe
    Leibniz Inst Surface Modificat, Germany; Max Planck Inst Plasma Phys, Greifswald, Germany.
    Corrigendum to “Theoretical and experimental investigation of Electron Transfer Mediated Decay in ArKr clusters” [Chem. Phys. 482 (2017) 226–238]2018In: Chemical Physics, ISSN 0301-0104, E-ISSN 1873-4421, Vol. 501, p. 138-138Article in journal (Refereed)
  • 7.
    Feifel, Raimund
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, Origovagen 6B, S-41296 Gothenburg, Sweden..
    Eland, John H. D.
    Univ Gothenburg, Dept Phys, Origovagen 6B, S-41296 Gothenburg, Sweden.;Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, S Parks Rd, Oxford OX1 3QZ, England..
    Squibb, Richard J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, Origovagen 6B, S-41296 Gothenburg, Sweden..
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Zagorodskikh, Sergey
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, Origovagen 6B, S-41296 Gothenburg, Sweden..
    Linusson, Per
    Stockholm Univ, Dept Phys, AlbaNova Univ Ctr, S-10691 Stockholm, Sweden..
    Tarantelli, Francesco
    Dipartimento Chim Biol & Biotecnol, Via Elce di Sotto 8, I-06123 Perugia, Italy..
    Kolorenc, Premysl
    Charles Univ Prague, Fac Math & Phys, Inst Theoret Phys, V Holesovickach 2, Prague 18000, Czech Republic..
    Averbukh, Vitali
    Univ London Imperial Coll Sci Technol & Med, Dept Phys, Prince Consort Rd, London SW7 2AZ, England..
    Ultrafast Molecular Three-Electron Auger Decay2016In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 116, no 7, article id 073001Article in journal (Refereed)
    Abstract [en]

    Three-electron Auger decay is an exotic and elusive process, in which two outer-shell electrons simultaneously refill an inner-shell double vacancy with emission of a single Auger electron. Such transitions are forbidden by the many-electron selection rules, normally making their decay lifetimes orders of magnitude longer than the few-femtosecond lifetimes of normal (two-electron) Auger decay. Here we present theoretical predictions and direct experimental evidence for a few-femtosecond three-electron Auger decay of a double inner-valence-hole state in CH3F. Our analysis shows that in contrast to double core holes, double inner-valence vacancies in molecules can decay exclusively by this ultrafast threeelectron Auger process, and we predict that this phenomenon occurs widely.

  • 8. Frasinski, L. J.
    et al.
    Zhaunerchyk, Vitali
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Squibb, Richard J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Siano, M.
    Eland, John H. D.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Linusson, P.
    v. d. Meulen, P.
    Salen, P.
    Thomas, R. D.
    Larsson, M.
    Foucar, L.
    Ullrich, J.
    Motomura, K.
    Mondal, S.
    Ueda, K.
    Osipov, T.
    Fang, L.
    Murphy, B. F.
    Berrah, N.
    Bostedt, C.
    Bozek, J. D.
    Schorb, S.
    Messerschmidt, M.
    Glownia, J. M.
    Cryan, J. P.
    Coffee, R. N.
    Takahashi, O.
    Wada, S.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Richter, R.
    Prince, K. C.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Dynamics of Hollow Atom Formation in Intense X-Ray Pulses Probed by Partial Covariance Mapping2013In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 111, no 7, article id 073002Article in journal (Refereed)
    Abstract [en]

    When exposed to ultraintense x-radiation sources such as free electron lasers (FELs) the innermost electronic shell can efficiently be emptied, creating a transient hollow atom or molecule. Understanding the femtosecond dynamics of such systems is fundamental to achieving atomic resolution in flash diffraction imaging of noncrystallized complex biological samples. We demonstrate the capacity of a correlation method called "partial covariance mapping'' to probe the electron dynamics of neon atoms exposed to intense 8 fs pulses of 1062 eV photons. A complete picture of ionization processes competing in hollow atom formation and decay is visualized with unprecedented ease and the map reveals hitherto unobserved nonlinear sequences of photoionization and Auger events. The technique is particularly well suited to the high counting rate inherent in FEL experiments.

  • 9. Kimberg, Victor
    et al.
    Sanchez-Gonzalez, Alvaro
    Mercadier, Laurent
    Weninger, Clemens
    Lutman, Alberto
    Ratner, Daniel
    Coffee, Ryan
    Buchner, Maximilian
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Agåker, Marcus
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Såthe, Conny
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
    Bostedt, Christoph
    Nordgren, Joseph
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Rohringer, Nina
    Stimulated X-ray Raman scattering - a critical assessment of the building block of nonlinear X-ray spectroscopy2016In: Faraday discussions (Online), ISSN 1359-6640, E-ISSN 1364-5498, Vol. 194, p. 305-324Article in journal (Refereed)
    Abstract [en]

    With the invention of femtosecond X-ray free-electron lasers (XFELs), studies of light-induced chemical reaction dynamics and structural dynamics reach a new era, allowing for time-resolved X-ray diffraction and spectroscopy. To ultimately probe coherent electron and nuclear dynamics on their natural time and length scales, coherent nonlinear X-ray spectroscopy schemes have been proposed. In this contribution, we want to critically assess the experimental realisation of nonlinear X-ray spectroscopy at current-day XFEL sources, by presenting first experimental attempts to demonstrate stimulated resonant X-ray Raman scattering in molecular gas targets.

  • 10. Linusson, P.
    et al.
    Fritzsche, S.
    Eland, J. H. D.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Single-photon multiple ionization forming double vacancies in the 2p subshell of argon2013In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 87, no 4, article id 043409Article in journal (Refereed)
    Abstract [en]

    Single-photon ionization leading to two vacancies in the 2p subshell of argon is investigated experimentally using the photoelectron time-of-flight magnetic bottle coincidence technique. Three peaks corresponding to the P-3, D-1, and S-1 states of the dication are found in the ionization energy range 535 to 562 eV. Multiconfigurational Dirac-Fock calculations were performed to estimate the single-photon double-ionization cross sections. Reasonable agreement between the measured and simulated spectra is found if single and double excitations are taken into account in the wave-function expansion. 

  • 11. Linusson, P.
    et al.
    Hedin, Lage
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Eland, John H. D.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Squibb, Richard J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Zagorodskikh, Sergey
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Karlsson, Leif
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Complete double valence photoionization study of the electron spectra of krypton2013In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 88, no 2, article id 022510Article in journal (Refereed)
    Abstract [en]

    Double photoionization spectra of Kr have been recorded using monochromatized synchrotron radiation of 88 eV photon energy and a versatile multielectron coincidence time-of-flight spectroscopy technique. The formation of the Kr2+ states of the lowest-energy configuration 4s(2)4p(4) is partly direct, producing electron pairs with a continuous distribution, and partly indirect via superexcited singly ionized states. The superexcited Kr+ states show strong and hitherto unexplained selectivity in branching to final Kr2+ states. Kr2+ states based on excited configurations are formed mainly by direct double photoionization.

  • 12.
    McFarland, B. K.
    et al.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Farrell, J. P.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Berrah, N.
    Bostedt, C.
    Bozek, J.
    Bucksbaum, P. H.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Coffee, R.
    Cryan, J.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Fang, L.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Gaffney, K.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Glownia, J.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Martinez, T.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Murphy, B.
    Miyabe, S.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Natan, A.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Osipov, T.
    Petrovic, V.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Schorb, S.
    Schultz, Th.
    Spector, L.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Tarantelli, F.
    Tenney, I.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Wang, S.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    White, W.
    White, J.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Guehr, M.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Probing nucleobase photoprotection with soft x-rays2013In: XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA, 2013, p. 07004-, article id UNSP 07004Conference paper (Refereed)
    Abstract [en]

    Nucleobases absorb strongly in the ultraviolet region, leading to molecular excitation into reactive states. The molecules avoid the photoreactions by funnelling the electronic energy into less reactive states on an ultrafast timescale via non-Born-Oppenheimer dynamics. Current theory on the nucleobase thymine discusses two conflicting pathways for the photoprotective dynamics. We present our first results of our free electron laser based UV-pump soft x-ray-probe study of the photoprotection mechanism of thymine. We use the high spatial sensitivity of the Auger electrons emitted after the soft x-ray pulse induced core ionization. Our transient spetra show two timescales on the order of 200 fs and 5 ps, in agreement with previous (all UV) ultrafast experiments. The timescales appear at different Auger kinetic energies which will help us to decipher the molecular dynamics.

  • 13. McFarland, B. K.
    et al.
    Farrell, J. P.
    Miyabe, S.
    Tarantelli, F.
    Aguilar, A.
    Berrah, N.
    Bostedt, C.
    Bozek, J. D.
    Bucksbaum, P. H.
    Castagna, J. C.
    Coffee, R. N.
    Cryan, J. P.
    Fang, L.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Gaffney, K. J.
    Glownia, J. M.
    Martinez, T. J.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Murphy, B.
    Natan, A.
    Osipov, T.
    Petrovic, V. S.
    Schorb, S.
    Schultz, Th.
    Spector, L. S.
    Swiggers, M.
    Tenney, I.
    Wang, S.
    White, J. L.
    White, W.
    Guehr, M.
    Ultrafast X-ray Auger probing of photoexcited molecular dynamics2014In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 5, p. 4235-Article in journal (Refereed)
    Abstract [en]

    Molecules can efficiently and selectively convert light energy into other degrees of freedom. Disentangling the underlying ultrafast motion of electrons and nuclei of the photoexcited molecule presents a challenge to current spectroscopic approaches. Here we explore the photoexcited dynamics of molecules by an interaction with an ultrafast X-ray pulse creating a highly localized core hole that decays via Auger emission. We discover that the Auger spectrum as a function of photoexcitation-X-ray-probe delay contains valuable information about the nuclear and electronic degrees of freedom from an element-specific point of view. For the nucleobase thymine, the oxygen Auger spectrum shifts towards high kinetic energies, resulting from a particular C-O bond stretch in the pi pi* photoexcited state. A subsequent shift of the Auger spectrum towards lower kinetic energies displays the electronic relaxation of the initial photoexcited state within 200 fs. Ab-initio simulations reinforce our interpretation and indicate an electronic decay to the n pi* state.

  • 14. McFarland, B.K.
    et al.
    Berrah, N.
    Bostedt, C.
    Bozek, J.
    Bucksbaum, P.H.
    Castagna, J.C.
    Coffee, R.N.
    Cryan, J.P.
    Fang, L.
    Farrell, J.P.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Gaffney, K.J.
    Glownia, J.M.
    Martinez, T.J.
    Miyabe, S.
    Mucke, M.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Murphy, B.
    Natan, A.
    Osipov, T.
    Petrovic, V.S.
    Schorb, S.
    Schultz, Th.
    Spector, L.S.
    Swiggers, M.
    Tarantelli, F.
    Tenney, I.
    Wang, S.
    White, J.L.
    White, W.
    Gühr, M.
    Experimental strategies for optical pump - soft x-ray probe experiments at the LCLS2014In: Journal of Physics: Conference Series, Vol. 488, p. 012015-Article in journal (Refereed)
  • 15.
    Mucke, Melanie
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Arion, T.
    Max Planck Inst Plasma Phys, D-85748 Garching, Germany.;Ctr Free Electron Laser Sci DESY, D-22607 Hamburg, Germany..
    Foerstel, M.
    Max Planck Inst Plasma Phys, D-85748 Garching, Germany..
    Lischke, T.
    Max Planck Inst Plasma Phys, D-85748 Garching, Germany..
    Hergenhahn, U.
    Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany..
    Competition of inelastic electron scattering and Interatomic Coulombic Decay in Ne clusters2015In: Journal of Electron Spectroscopy and Related Phenomena, ISSN 0368-2048, E-ISSN 1873-2526, Vol. 200, p. 232-238Article in journal (Refereed)
    Abstract [en]

    The creation of slow electrons due to Interatomic Coulombic Decay of 2s vacancies in Ne clusters is quantitatively compared to the slow electron yield by intracluster electron impact ionization. Using electron-electron coincidence spectroscopy, both channels can be separated experimentally. Two cluster size distributions, corresponding to two and five to six filled solvation shells, are probed.

  • 16.
    Mucke, Melanie
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Eland, John H. D.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Takahashi, O.
    Linusson, P.
    Lebrun, Delphine
    Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Solid State Physics.
    Ueda, K.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Formation and decay of core-orbital vacancies in the water molecule2013In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 558, p. 82-87Article in journal (Refereed)
    Abstract [en]

    Primary steps in the interaction of high energy photons with water creating multiply ionised products are examined experimentally and theoretically. Double Auger decay from a 1s-hole state populates triply ionised states between 80 and 140 eV binding energy. Ejection of one 1s electron and one valence electron gives states around 570 eV which decay to triply ionised states between 75 and 110 eV. Nuclear motion in these states competes with Auger decay and substantially modifies the final state spectra. The double core-hole state from ionisation of both 1s electrons is found at 1171 +/- 1 eV and calculated at 1170.85 eV. 

  • 17.
    Mucke, Melanie
    et al.
    EURATOM, Max Planck Inst Plasmaphys, D-85748 Garching, Germany..
    Foerstel, M.
    EURATOM, Max Planck Inst Plasmaphys, D-85748 Garching, Germany.;Max Planck Inst Kernphys, D-69117 Heidelberg, Germany..
    Lischke, T.
    EURATOM, Max Planck Inst Plasmaphys, D-85748 Garching, Germany..
    Arion, T.
    EURATOM, Max Planck Inst Plasmaphys, D-85748 Garching, Germany..
    Bradshaw, A. M.
    EURATOM, Max Planck Inst Plasmaphys, D-85748 Garching, Germany.;Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany..
    Hergenhahn, U.
    EURATOM, Max Planck Inst Plasmaphys, Teilinst Greifswald, D-17491 Greifswald, Germany..
    Performance of a short "magnetic bottle" electron spectrometer2012In: Review of Scientific Instruments, ISSN 0034-6748, E-ISSN 1089-7623, Vol. 83, no 6, article id 063106Article in journal (Refereed)
    Abstract [en]

    In this article, a newly constructed electron spectrometer of the magnetic bottle type is described. The instrument is part of an apparatus for measuring the electron spectra of free clusters using synchrotron radiation. Argon and helium outer valence photoelectron spectra have been recorded in order to investigate the characteristic features of the spectrometer. The energy resolution (E/Delta E) has been found to be similar to 30. Using electrostatic retardation of the electrons, it can be increased to at least 110. The transmission as a function of kinetic energy is flat, and is not impaired much by retardation with up to 80% of the initial kinetic energy. We have measured a detection efficiency of most probably 0.6(-0.1)(+0.05), but at least of 0.4. Results from testing the alignment of the magnet, and from trajectory simulations, are also discussed. [http://dx.doi.org/10.1063/1.4729256]

  • 18.
    Mucke, Melanie
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Zhaunerchyk, Vitali
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Frasinski, L. J.
    Squibb, Richard J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Siano, M.
    Eland, John H. D.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Linusson, P.
    Salen, P.
    v d Meulen, P.
    Thomas, R. D.
    Larsson, M.
    Foucar, L.
    Ullrich, J.
    Motomura, K.
    Mondal, S.
    Ueda, K.
    Osipov, T.
    Fang, L.
    Murphy, B. F.
    Berrah, N.
    Bostedt, C.
    Bozek, J. D.
    Schorb, S.
    Messerschmidt, M.
    Glownia, J. M.
    Cryan, J. P.
    Coffee, R. N.
    Takahashi, O.
    Wada, S.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Richter, R.
    Prince, K. C.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Covariance mapping of two-photon double core hole states in C2H2 and C2H6 produced by an x-ray free electron laser2015In: New Journal of Physics, ISSN 1367-2630, E-ISSN 1367-2630, Vol. 17, article id 073002Article in journal (Refereed)
    Abstract [en]

    Few-photon ionization and relaxation processes in acetylene (C2H2) and ethane (C2H6) were investigated at the linac coherent light source x-ray free electron laser (FEL) at SLAC, Stanford using a highly efficient multi-particle correlation spectroscopy technique based on a magnetic bottle. The analysis method of covariance mapping has been applied and enhanced, allowing us to identify electron pairs associated with double core hole (DCH) production and competing multiple ionization processes including Auger decay sequences. The experimental technique and the analysis procedure are discussed in the light of earlier investigations of DCH studies carried out at the same FEL and at third generation synchrotron radiation sources. In particular, we demonstrate the capability of the covariance mapping technique to disentangle the formation of molecular DCH states which is barely feasible with conventional electron spectroscopy methods.

  • 19. Murphy, B.F.
    et al.
    Osipov, T.
    Jurek, Z.
    Fang, L.
    Son, S.-K.
    Mucke, M.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Eland, J.H.D.
    Zhaunerchyk, V.
    Feifel, Raimund
    Avaldi, L.
    Bolognesi, P.
    Bostedt, C.
    Bozek, J.D.
    Grilj, J.
    Guehr, M.
    Frasinski, L.J.
    Glownia, J.
    Ha, D.T.
    Hoffmann, K.
    Kukk, E.
    McFarland, B.K.
    Miron, C.
    Sistrunk, E.
    Squibb, R.J.
    Ueda, K.
    Santra, R.
    Berrah, N.
    Femtosecond X-ray-induced explosion of C60 at extreme intensity2014In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 5, p. 4281-Article in journal (Refereed)
  • 20.
    Penfold, Tom
    et al.
    Newcastle Univ, Newcastle Upon Tyne, Tyne & Wear, England.
    Szlachetko, Jakub
    IFJ PAN, Krakow, Poland.
    Gawelda, Wojciech
    European XFEL, Femtosecond Xray Expt Grp, Schenefeld, Germany.
    Santomauro, Fabio
    Britz, Alexander
    SLAC, Menlo Pk, CA USA.
    van Driel, Tim
    SLAC, Menlo Pk, CA USA.
    Sala, Leonardo
    Paul Scherrer Inst, Villigen, Aargau, Switzerland.
    Ebner, Simon
    Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
    Southworth, Steve
    Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
    Doumy, Gilles
    Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
    March, Anne Marie
    Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
    Lehmann, Stefan
    Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
    Katayama, Tetsuo
    RIKEN, SPring Ctr 8, Kobe, Hyogo, Japan.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Iablonskyi, Denya
    Tohoku Univ, Sendai, Miyagi, Japan.
    Kumagai, Yoshiaki
    Tohoku Univ, Sendai, Miyagi, Japan.
    Knopp, Gregor
    Paul Scherrer Inst, Villigen, Aargau, Switzerland.
    Motomura, Koji
    Tohoku Univ, Sendai, Miyagi, Japan.
    Togashi, Tadashi
    RIKEN, SPring Ctr 8, Kobe, Hyogo, Japan.
    Owada, Shigeki
    RIKEN, SPring Ctr 8, Kobe, Hyogo, Japan.
    Yabashi, Makina
    RIKEN, SPring Ctr 8, Kobe, Hyogo, Japan.
    Rittmann, Jochen
    Nielsen, Martin
    Tech Univ Denmark, Lyngby, Denmark.
    Pajek, Marek
    Jan Kochanowski Univ Humanities & Sci, Kielce, Poland.
    Ueda, Kiyoshi
    Tohoku Univ, Sendai, Miyagi, Japan.
    Chergui, Majed
    Ecole Polytech Fed Lausanne, Lausanne, Switzerland.
    Abela, Rafael
    Paul Scherrer Inst, Villigen, Aargau, Switzerland.
    Milne, Chris
    Paul Scherrer Inst, Villigen, Aargau, Switzerland.
    Revealing hole trapping in zinc oxide nanoparticles by time-resolved X-ray spectroscopy2018In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 256Article in journal (Other academic)
  • 21.
    Richter, Clemens
    et al.
    Leibniz Inst Surface Engn IOM, Permoserstr 15, D-04318 Leipzig, Germany.
    Hollas, Daniel
    Univ Chem & Technol Prague, Dept Phys Chem, Tech 5, Prague 16628 6, Czech Republic.
    Saak, Clara-Magdalena
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Foerstel, Marko
    Max Planck Inst Plasma Phys, Boltzmannstr 2, D-85748 Garching, Germany;Tech Univ Berlin, Inst Opt & Atom Phys, Hardenbergstr 36, D-10623 Berlin, Germany.
    Miteva, Tsveta
    Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS, UMR 7614, F-75005 Paris, France.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Björneholm, Olle
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Sisourat, Nicolas
    Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS, UMR 7614, F-75005 Paris, France.
    Slavicek, Petr
    Univ Chem & Technol Prague, Dept Phys Chem, Tech 5, Prague 16628 6, Czech Republic.
    Hergenhahn, Uwe
    Leibniz Inst Surface Engn IOM, Permoserstr 15, D-04318 Leipzig, Germany;Max Planck Inst Plasma Phys, Wendelsteinstr 1, D-17491 Greifswald, Germany.
    Competition between proton transfer and intermolecular Coulombic decay in water2018In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 9, article id 4988Article in journal (Refereed)
    Abstract [en]

    Intermolecular Coulombic decay (ICD) is a ubiquitous relaxation channel of electronically excited states in weakly bound systems, ranging from dimers to liquids. As it is driven by electron correlation, it was assumed that it will dominate over more established energy loss mechanisms, for example fluorescence. Here, we use electron-electron coincidence spectroscopy to determine the efficiency of the ICD process after 2a(1) ionization in water clusters. We show that this efficiency is surprisingly low for small water clusters and that it gradually increases to 40-50% for clusters with hundreds of water units. Ab initio molecular dynamics simulations reveal that proton transfer between neighboring water molecules proceeds on the same timescale as ICD and leads to a configuration in which the ICD channel is closed. This conclusion is further supported by experimental results from deuterated water. Combining experiment and theory, we infer an intrinsic ICD lifetime of 12-52 fs for small water clusters.

  • 22.
    Rohringer, N.
    et al.
    Max Planck Inst Phys Komplexer Syst, Dresden, Germany.;Ctr Free Electron Laser Sci, Hamburg, Germany..
    Kimberg, V.
    Max Planck Inst Phys Komplexer Syst, Dresden, Germany.;Ctr Free Electron Laser Sci, Hamburg, Germany..
    Weninger, C.
    Max Planck Inst Phys Komplexer Syst, Dresden, Germany.;Ctr Free Electron Laser Sci, Hamburg, Germany..
    Sanchez-Gonzalez, A.
    Univ London Imperial Coll Sci Technol & Med, London, England..
    Lutman, A.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA..
    Maxwell, T.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA..
    Bostedt, C.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA..
    Monterro, S. Carron
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA..
    Lindahl, A. O.
    Univ Gothenburg, Dept Phys, Gothenburg, Sweden.;SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA USA..
    Ilchen, M.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA.;European XFEL GmbH, Hamburg, Germany..
    Coffee, R. N.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA.;SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA USA..
    Bozek, J. D.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA..
    Krzywinski, J.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA..
    Kierspel, T.
    Ctr Free Electron Laser Sci, Hamburg, Germany.;Univ Hamburg, Hamburg, Germany.;DESY, Notkestr 85, Hamburg, Germany..
    Mullins, T.
    Ctr Free Electron Laser Sci, Hamburg, Germany.;Univ Hamburg, Hamburg, Germany.;DESY, Notkestr 85, Hamburg, Germany..
    Kuepper, J.
    Ctr Free Electron Laser Sci, Hamburg, Germany.;Univ Hamburg, Hamburg, Germany.;DESY, Notkestr 85, Hamburg, Germany..
    Erk, B.
    DESY, Notkestr 85, Hamburg, Germany..
    Rolles, D.
    DESY, Notkestr 85, Hamburg, Germany..
    Muecke, O. D.
    DESY, Notkestr 85, Hamburg, Germany..
    London, R. A.
    Lawrence Livermore Natl Lab, Livermore, CA USA..
    Purvis, M.
    Colorado State Univ, Ft Collins, CO 80523 USA..
    Ryan, D.
    Colorado State Univ, Ft Collins, CO 80523 USA..
    Rocca, J. J.
    Colorado State Univ, Ft Collins, CO 80523 USA..
    Feifel, R.
    Univ Gothenburg, Dept Phys, Gothenburg, Sweden..
    Squibb, R.
    Univ Gothenburg, Dept Phys, Gothenburg, Sweden..
    Zhaunerchyk, V.
    Univ Gothenburg, Dept Phys, Gothenburg, Sweden..
    Såthe, Conny
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Agåker, Marcus
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Nordgren, Joseph
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Stimulated X-Ray Raman Scattering with Free-Electron Laser Sources2016In: X-RAY LASERS 2014, 2016, p. 201-207Conference paper (Refereed)
    Abstract [en]

    Stimulated electronic x-ray Raman scattering is the building block for several proposed x-ray pump probe techniques, that would allow the study of electron dynamics at unprecedented timescales. We present high spectral resolution data on stimulated electronic x-ray Raman scattering in a gas sample of neon using a self-amplified spontaneous emission x-ray free-electron laser. Despite the limited spectral coherence and broad bandwidth of these sources, high-resolution spectra can be obtained by statistical methods, opening the path to coherent stimulated x-ray Raman spectroscopy. An extension of these ideas to molecules and the results of a recent experiment in CO are discussed.

  • 23.
    Saak, Clara-Magdalena
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Richter, Clemens
    Leibniz Institute of Surface Engineering (IOM).
    Unger, Isaak
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Nicolas, Christophe
    Synchrotron SOLEIL.
    Hergenhahn, Uwe
    Fritz Haber Institute.
    Caleman, Carl
    Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics. Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Huttula, Marko
    Oulu University.
    Patanen, Minna
    Oulu University.
    Björneholm, Olle
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Probing the Hydrogen-Bond Strength of Solvent Clusters using Proton DynamicsManuscript (preprint) (Other academic)
  • 24.
    Sanchez-Gonzalez, A.
    et al.
    Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England..
    Barillot, T. R.
    Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England..
    Squibb, R. J.
    Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Kolorenc, P.
    Charles Univ Prague, Fac Math & Phys, Inst Theoret Phys, CR-18000 Prague, Czech Republic..
    Agåker, Marcus
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Averbukh, V.
    Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England..
    Bearpark, M. J.
    Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England..
    Bostedt, C.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Bozek, J. D.
    SOLEIL Synchrotron, PLEIADES Beamline, LOrme Merisiers, F-91192 Gif Sur Yvette, France..
    Bruce, S.
    Univ Texas, Texas Ctr High Energy Dens Sci CHEDS, Austin, TX 78712 USA..
    Montero, S. Carron
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Coffee, R. N.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Cooper, B.
    Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England..
    Cryan, J. P.
    SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA..
    Dong, Minjie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Eland, J. H. D.
    Univ Oxford, Dept Chem, Oxford OX1 3QZ, England..
    Fang, L.
    Univ Texas, Texas Ctr High Energy Dens Sci CHEDS, Austin, TX 78712 USA..
    Fukuzawa, H.
    Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan..
    Guehr, M.
    SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA..
    Ilchen, M.
    European XFEL GmbH, D-22761 Hamburg, Germany..
    Johnsson, A. S.
    Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England..
    Liekhus-S, C.
    SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA.;Stanford Univ, Dept Phys, Stanford, CA 94305 USA.;Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA..
    Marinelli, A.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Maxwell, T.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Motomura, K.
    Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan..
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Natan, A.
    SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA.;Stanford Univ, Dept Phys, Stanford, CA 94305 USA.;Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA..
    Osipov, T.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Östlin, Christofer
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Pernpointner, M.
    Heidelberg Univ, Theoret Chem, D-69120 Heidelberg, Germany..
    Petrovic, V. S.
    SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA.;Stanford Univ, Dept Phys, Stanford, CA 94305 USA.;Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA..
    Robb, M. A.
    Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England..
    Sathe, C.
    Lund Univ, MAX IV Lab, SE-22100 Lund, Sweden..
    Simpson, E. R.
    Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England..
    Underwood, J. G.
    UCL, Dept Phys & Astron, London WC1E 6BT, England..
    Vacher, Morgane
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Theoretical Chemistry. Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England..
    Walke, D. J.
    Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England..
    Wolf, T. J. A.
    SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA..
    Zhaunerchyk, V.
    Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Berrah, N.
    Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA..
    Bucksbaum, P. H.
    SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA.;Stanford Univ, Dept Phys, Stanford, CA 94305 USA.;Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA..
    Ueda, K.
    Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan..
    Feifel, R.
    Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Frasinski, L. J.
    Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England..
    Marangos, J. P.
    Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England..
    Auger Electron and Photoabsorption Spectra of Glycine in the Vicinity of the Oxygen K-edge Measured with an X-FEL2015In: Journal of Physics B: Atomic, Molecular and Optical Physics, ISSN 0953-4075, E-ISSN 1361-6455, Vol. 48, no 23, article id 234004Article in journal (Refereed)
    Abstract [en]

    We report the first measurement of the near oxygen K-edge auger spectrum of the glycine molecule. Our work employed an x-ray free electron laser as the photon source operated with input photon energies tunable between 527 and 547 eV. Complete electron spectra were recorded at each photon energy in the tuning range, revealing resonant and non-resonant auger structures. Finally ab initio theoretical predictions are compared with the measured above the edge auger spectrum and an assignment of auger decay channels is performed.

  • 25.
    Sanchez-Gonzalez, A.
    et al.
    Imperial Coll London, Dept Phys, London SW7 2AZ, England..
    Micaelli, P.
    Imperial Coll London, Dept Phys, London SW7 2AZ, England..
    Olivier, C.
    Imperial Coll London, Dept Phys, London SW7 2AZ, England..
    Barillot, T. R.
    Imperial Coll London, Dept Phys, London SW7 2AZ, England..
    Ilchen, M.
    SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA.;European XFEL GmbH, Holzkoppel 4, D-22869 Schenefeld, Germany..
    Lutman, A. A.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA..
    Marinelli, A.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA..
    Maxwell, T.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA..
    Achner, A.
    European XFEL GmbH, Holzkoppel 4, D-22869 Schenefeld, Germany..
    Agåker, M.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Berrah, N.
    Univ Connecticut, Dept Phys, 2152 Hillside Rd,U-3046, Storrs, CT 06269 USA..
    Bostedt, C.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA.;Argonne Natl Lab, Lemont, IL 60439 USA..
    Bozek, J. D.
    Synchrotron SOLEIL, F-91192 Gif Sur Yvette, France..
    Buck, J.
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Bucksbaum, P. H.
    SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA.;Stanford Univ, Dept Phys, 382 Via Pueblo Mall, Stanford, CA 94305 USA..
    Montero, S. Carron
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA.;Calif Lutheran Univ, Dept Phys, 60 West Olsen Rd, Thousand Oaks, CA 91360 USA..
    Cooper, B.
    Imperial Coll London, Dept Phys, London SW7 2AZ, England..
    Cryan, J. P.
    SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA..
    Dong, M.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Feifel, R.
    Univ Gothenburg, Dept Phys, Origovagen 6B, S-41296 Gothenburg, Sweden..
    Frasinski, L. J.
    Imperial Coll London, Dept Phys, London SW7 2AZ, England..
    Fukuzawa, H.
    Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan..
    Galler, A.
    European XFEL GmbH, Holzkoppel 4, D-22869 Schenefeld, Germany..
    Hartmann, G.
    DESY, Notkestr 85, D-22607 Hamburg, Germany.;Univ Kassel, Inst Phys, Heinrich Plett Str 40, D-34132 Kassel, Germany.;Univ Kassel, CINSaT, Heinrich Plett Str 40, D-34132 Kassel, Germany..
    Hartmann, N.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA..
    Helml, W.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA.;Tech Univ Munich, Phys Dept E11, James Franck Str 1, D-85748 Garching, Germany..
    Johnson, A. S.
    Imperial Coll London, Dept Phys, London SW7 2AZ, England..
    Knie, A.
    Univ Kassel, Inst Phys, Heinrich Plett Str 40, D-34132 Kassel, Germany.;Univ Kassel, CINSaT, Heinrich Plett Str 40, D-34132 Kassel, Germany..
    Lindahl, A. O.
    SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA.;Univ Gothenburg, Dept Phys, Origovagen 6B, S-41296 Gothenburg, Sweden..
    Liu, J.
    European XFEL GmbH, Holzkoppel 4, D-22869 Schenefeld, Germany..
    Motomura, K.
    Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan..
    Mucke, M.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    O'Grady, C.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA..
    Rubensson, J-E.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Simpson, E. R.
    Imperial Coll London, Dept Phys, London SW7 2AZ, England..
    Squibb, R. J.
    Univ Gothenburg, Dept Phys, Origovagen 6B, S-41296 Gothenburg, Sweden..
    Sathe, C.
    Lund Univ, MAX Lab 4, Box 118, SE-22100 Lund, Sweden..
    Ueda, K.
    Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan..
    Vacher, M.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Theoretical Chemistry. Imperial Coll, Dept Chem, London SW7 2AZ, England..
    Walke, D. J.
    Imperial Coll London, Dept Phys, London SW7 2AZ, England..
    Zhaunerchyk, V.
    Univ Gothenburg, Dept Phys, Origovagen 6B, S-41296 Gothenburg, Sweden..
    Coffee, R. N.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA..
    Marangos, J. P.
    Imperial Coll London, Dept Phys, London SW7 2AZ, England..
    Accurate prediction of X-ray pulse properties from a free-electron laser using machine learning2017In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 8, article id 15461Article in journal (Refereed)
    Abstract [en]

    Free-electron lasers providing ultra-short high-brightness pulses of X-ray radiation have great potential for a wide impact on science, and are a critical element for unravelling the structural dynamics of matter. To fully harness this potential, we must accurately know the X-ray properties: intensity, spectrum and temporal profile. Owing to the inherent fluctuations in free-electron lasers, this mandates a full characterization of the properties for each and every pulse. While diagnostics of these properties exist, they are often invasive and many cannot operate at a high-repetition rate. Here, we present a technique for circumventing this limitation. Employing a machine learning strategy, we can accurately predict X-ray properties for every shot using only parameters that are easily recorded at high-repetition rate, by training a model on a small set of fully diagnosed pulses. This opens the door to fully realizing the promise of next-generation high-repetition rate X-ray lasers.

  • 26.
    Schalk, Oliver
    et al.
    Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden..
    Josefsson, Ida
    Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden..
    Geng, Ting
    Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden..
    Richter, Robert
    Elettra Sincrotrone Trieste, Area Sci Pk, I-34149 Trieste, Italy..
    Sa'adeh, Hanan
    Univ Jordan, Dept Phys, Amman 11942, Jordan..
    Thomas, Richard D.
    Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden..
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Dissociation kinetics of excited ions: PEPICO measurements of Os3(CO)12 - The 7-35 eV single ionization binding energy region2018In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 148, no 8, article id 084301Article in journal (Refereed)
    Abstract [en]

    In this article, we study the photoinduced dissociation pathways of a metallocarbonyl, Os-3(CO)(12), in particular the consecutive loss of CO groups. To do so, we performed photoelectron-photoion coincidence (PEPICO) measurements in the single ionization binding energy region from 7 to 35 eV using 45-eV photons. Zero-energy ion appearance energies for the dissociation steps were extracted by modeling the PEPICO data using the statistical adiabatic channel model. Upon ionization to the excited ionic states above 13 eV binding energy, non-statistical behaviorwas observed and assigned to prompt CO loss. Double ionization was found to be dominated by the knockout process with an onset of 20.9 similar to 0.4 eV. The oscillator strength is significantly larger for energies above 26.6 similar to 0.4 eV, corresponding to one electron being ejected from the Os3 center and one from the CO ligands. The cross section for double ionization was found to increase linearly up to 35 eV ionization energy, at which 40% of the generated ions are doubly charged. Published by AIP Publishing.

  • 27.
    Schalk, Oliver
    et al.
    Stockholm Univ, AlbaNova Univ Ctr, Dept Chem Phys, SE-10691 Stockholm, Sweden..
    Josefsson, Ida
    Stockholm Univ, AlbaNova Univ Ctr, Dept Chem Phys, SE-10691 Stockholm, Sweden..
    Richter, Robert
    Elettra Sincrotrone Trieste, I-34149 Trieste, Italy..
    Prince, Kevin C.
    Elettra Sincrotrone Trieste, I-34149 Trieste, Italy..
    Odelius, Michael
    Stockholm Univ, AlbaNova Univ Ctr, Dept Chem Phys, SE-10691 Stockholm, Sweden..
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Ionization and photofragmentation of Ru-3(CO)(12) and Os-3(CO)(12)2015In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 143, no 15, article id 154305Article in journal (Refereed)
    Abstract [en]

    In this paper, we use a combination of photoelectron spectroscopy, mass spectrometry, and density functional theory calculations to get a detailed understanding of valence single and double ionization and the subsequent dissociation processes. This is exemplified on benchmark systems, trimetallo-dodecacarbonyls M-3(CO)(12) with M = Ru, Os, where the energy remaining in the molecule after photoionization can be retrieved by measuring the degree of fragmentation of the molecular ion. The intensity of different mass peaks can thus be directly related to ionization cross sections obtained by photoelectron spectroscopy. We find that the M-CO dissociation energy rises as the number of CO ligands decreases due to dissociation. Moreover, ionization of the CO ligands has a higher cross section than that of the metal center for both single and double ionization. After advanced fragmentation, a CO bond can break and the carbon atom remains bonded to the metal core. In addition, we found that the valence ionization cross sections of M-3(CO)(12) are maximal at about 40 eV photon energy thus showing a more pronounced shape resonance than Ru and Os-complexes with a single metal atom center. Finally, an np. nd giant resonance absorption causes a significant increase of the ionization cross section above 50 eV for Ru-3(CO)(12).

  • 28. Schalk, Oliver
    et al.
    Schuurman, Michael S.
    Wu, Guorong
    Lang, Peter
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Stolow, Albert
    Internal Conversion versus Intersystem Crossing: What Drives the Gas Phase Dynamics of Cyclic alpha,beta-Enones?2014In: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 118, no 12, p. 2279-2287Article in journal (Refereed)
    Abstract [en]

    We investigate the competition between intersystem crossing (ISC) and internal conversion (IC) as nonradiative relaxation pathways in cyclic alpha,beta-unsaturated enones following excitation to their lowest lying (1)pi pi* state, by means of time-resolved photoelectron spectroscopy and ab initio computation. Upon excitation, the (1)pi pi* state of 2-cyclopentenone decays to the lowest lying (1)pi pi* state within 120 +/- 20 fs. Within 1.2 +/- 0.2 ps, the molecule subsequently decays to the triplet manifold and the singlet ground state, with quantum yields of 0.35 and 0.65, respectively. The corresponding dynamics in modified derivatives, obtained by selective methylation, show a decrease in both IC and ISC rates, with the quantum yields of ISC varying between 0.35 and 0.08. The rapid rates of ISC are explained by a large spin orbit coupling of 45-60 cm(-1) over an extended region of near degeneracy between the singlet and triplet state. Furthermore, the rate of IC is depressed by the existence of a well-defined minimum on the (1)n pi* potential energy surface. The nonadiabatic pathways evinced by the present results highlight the fact that these molecular systems conceptually represent "intermediate cases" between ultrafast dynamics mediated by vibrational motions at conical intersections versus those by statistical decay mechanisms.

  • 29.
    Wolf, T. J. A.
    et al.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
    Myhre, R. H.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA; Norwegian Univ Sci & Technol, Dept Chem, NO-7491 Trondheim, Norway.
    Cryan, J. P.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
    Coriani, S.
    Univ Trieste, Dipartimento Sci Chim & Farmaceut, Trieste, Italy: Aarhus Univ, Aarhus Inst Adv Studies, DK-8000 Aarhus C, Denmark.
    Squibb, R. J.
    Univ Gothenburg, Dept Phys, Gothenburg, Sweden.
    Battistoni, A.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
    Berrah, N.
    Univ Connecticut, Dept Phys, Storrs, CT 06269 USA.
    Bostedt, C.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94720 USA; Argonne Natl Lab, Lemont, IL 60439 USA; Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA.
    Bucksbaum, P.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA; Stanford Univ, Dept Phys, Stanford, CA USA.
    Coslovich, G.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94720 USA.
    Feifel, R.
    Univ Gothenburg, Dept Phys, Gothenburg, Sweden.
    Gaffney, K. J.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
    Grilj, J.
    Ecole Polytech Fed Lausanne, Lab Ultrafast Spect, CH-1015 Lausanne, Switzerland.
    Martinez, T. J.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA; Stanford Univ, Dept Chem, Stanford, CA 94305 USA.
    Miyabe, S.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA; Stanford Univ, Dept Chem, Stanford, CA 94305 USA; RIKEN, Laser Technol Lab, Wako, Saitama 3510198, Japan.
    Moeller, S. P.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94720 USA.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Natan, A.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
    Obaid, R.
    Univ Connecticut, Dept Phys, Storrs, CT 06269 USA.
    Osipov, T.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94720 USA.
    Plekan, O.
    Elettra Sincrotrone Trieste, I-34149 Trieste, Italy.
    Wang, S.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
    Koch, H.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA; Norwegian Univ Sci & Technol, Dept Chem, NO-7491 Trondheim, Norway.
    Guehr, M.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.;Univ Potsdam, Inst Phys & Astron, D-14476 Potsdam, Germany.
    Probing molecular photoinduced dynamics by ultrafast soft x-rays2017In: 2017 Conference On Lasers And Electro-Optics Europe & European Quantum Electronics Conference (Cleo/Europe-Eqec), IEEE, 2017Conference paper (Refereed)
  • 30.
    Wolf, T. J. A.
    et al.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Myhre, R. H.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.;Norwegian Univ Sci & Technol, Dept Chem, NO-7491 Trondheim, Norway..
    Cryan, J. P.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Coriani, S.
    Univ Trieste, Dipartimento Sci Chim Farmaceutiche, Piazzale Europa 1, I-34127 Trieste, Italy.;Tech Univ Denmark, Dept Chem, DK-2800 Lyngby, Denmark..
    Squibb, R. J.
    Univ Gothenburg, Dept Phys, S-41296 Gothenburg, Sweden..
    Battistoni, A.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Berrah, N.
    Univ Connecticut, Dept Phys, 2152 Hillside Rd, Storrs, CT 06269 USA..
    Bostedt, C.
    SLAC Natl Accelerator Lab, Linac Coherent Light Source, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.;Argonne Natl Lab, 9700 Cass Ave, Lemont, IL 60439 USA.;Northwestern Univ, Dept Phys & Astron, 2145 Sheridan Rd, Evanston, IL 60208 USA..
    Bucksbaum, P.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.;Stanford Univ, Dept Phys, 382 Via Pueblo Mall, Stanford, CA 94305 USA..
    Coslovich, G.
    Feifel, R.
    Gaffney, K. J.
    SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, 2575 Sand Hill Rd,Menlo Pk, Stanford, CA 94025 USA..
    Grilj, J.
    Ecole Polytech Fed Lausanne, Lab Ultrafast Spect, CH-1015 Lausanne, Switzerland..
    Martinez, T. J.
    Stanford Univ, Dept Chem, 333 Campus Dr, Stanford, CA 94305 USA..
    Miyabe, S.
    RIKEN, Laser Technol Lab, Wako, Saitama 3510198, Japan..
    Moeller, S. P.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Natan, A.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Obaid, R.
    Osipov, T.
    Plekan, O.
    Elettra Sincrotrone Trieste, 5 AREA Sci Pk, I-34149 BasovizzaTrieste, Italy..
    Wang, S.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Koch, H.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.;Norwegian Univ Sci & Technol, Dept Chem, NO-7491 Trondheim, Norway..
    Gühr, M.
    Stanford PULSE Inst, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.;Univ Potsdam, Inst Phys & Astron, Karl Liebknecht Str 24-25, D-14476 Potsdam, Germany..
    Probing ultrafast pi pi*/n pi* internal conversion in organic chromophores via K-edge resonant absorption2017In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 8, article id 29Article in journal (Refereed)
    Abstract [en]

    Many photoinduced processes including photosynthesis and human vision happen in organic molecules and involve coupled femtosecond dynamics of nuclei and electrons. Organic molecules with heteroatoms often possess an important excited-state relaxation channel from an optically allowed pi pi* to a dark n pi* state. The pi pi*/n pi* internal conversion is difficult to investigate, as most spectroscopic methods are not exclusively sensitive to changes in the excited-state electronic structure. Here, we report achieving the required sensitivity by exploiting the element and site specificity of near-edge soft X-ray absorption spectroscopy. As a hole forms in the n orbital during pi pi*/n pi* internal conversion, the absorption spectrum at the heteroatom K-edge exhibits an additional resonance. We demonstrate the concept using the nucleobase thymine at the oxygen K-edge, and unambiguously show that pi pi*/n pi* internal conversion takes place within (60 +/- 30) fs. High-level-coupled cluster calculations confirm the method's impressive electronic structure sensitivity for excited-state investigations.

  • 31.
    Wolf, Thomas J. A.
    et al.
    Stanford PULSE Institute, SLAC National Accelerator Laboratory.
    Holzmeier, Fabian
    Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin; Institut für Physikalische & Theoretische Chemie, Universität Würzburg.
    Wagner, Isabella
    Institut für Physikalische & Theoretische Chemie, Universität Würzburg.
    Berrah, Nora
    Department of Physics, University of Connecticut.
    Bostedt, Christoph
    Linac Coherent Light Source, SLAC National Accelerator Laboratory; Argonne National Laboratory; Department of Physics and Astronomy, Northwestern University.
    Bozek, John
    Synchrotron SOLEIL, L’Orme des Merisiers; Linac Coherent Light Source, SLAC National Accelerator Laboratory.
    Bucksbaum, Phil
    Stanford PULSE Institute, SLAC National Accelerator Lab.oratory; Departments of Physics and Applied Physics, Stanford University.
    Coffee, Ryan
    Linac Coherent Light Source, SLAC National Accelerator Laboratory.
    Cryan, James
    Stanford PULSE Institute, SLAC National Accelerator Laboratory.
    Farrell, Joe
    Stanford PULSE Institute, SLAC National Accelerator Laboratory.
    Feifel, Raimund
    Department of Physics, University of Gothenburg.
    Martinez, Todd J.
    Stanford PULSE Institute, SLAC National Accelerator Laboratory; Departments of Physics and Applied Physics, Stanford University.
    McFarland, Brian
    Stanford PULSE Institute, SLAC National Accelerator Laboratory.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Nandi, Saikat
    Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin; Department of Physics, Lund University.
    Tarantelli, Francesco
    Department of Chemistry, Biology and Biotechnology, University of Perugia.
    Fischer, Ingo
    Institut für Physikalische & Theoretische Chemie, Universität Würzburg.
    Guhr, Markus
    Stanford PULSE Institute, SLAC National Accelerator Laboratory; Institut für Physik und Astronomie, Universität Potsdam.
    Observing Femtosecond Fragmentation Using Ultrafast X-ray-Induced Auger Spectra2017In: Applied Sciences, E-ISSN 2076-3417, Vol. 7, no 7, article id 681Article in journal (Refereed)
    Abstract [en]

    Molecules often fragment after photoionization in the gas phase. Usually, this process can only be investigated spectroscopically as long as there exists electron correlation between the photofragments. Important parameters, like their kinetic energy after separation, cannot be investigated. We are reporting on a femtosecond time-resolved Auger electron spectroscopy study concerning the photofragmentation dynamics of thymine. We observe the appearance of clearly distinguishable signatures from thymines neutral photofragment isocyanic acid. Furthermore, we observe a time-dependent shift of its spectrum, which we can attribute to the influence of the charged fragment on the Auger electron. This allows us to map our time-dependent dataset onto the fragmentation coordinate. The time dependence of the shift supports efficient transformation of the excess energy gained from photoionization into kinetic energy of the fragments. Our method is broadly applicable to the investigation of photofragmentation processes.

  • 32.
    Zagorodskikh, Sergey
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden..
    Eland, John H. D.
    Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden.;Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, S Parks Rd, Oxford OX1 3QZ, England..
    Zhaunerchyk, Vitali
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden..
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Squibb, Richard J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden..
    Linusson, Per
    Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden..
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden..
    Mechanisms of site-specific photochemistry following core-shell ionization of chemically inequivalent carbon atoms in acetaldehyde (ethanal)2016In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 145, no 12, article id 124302Article in journal (Refereed)
    Abstract [en]

    Site-specific fragmentation upon 1s photoionisation of acetaldehyde has been studied using synchrotron radiation and a multi-electron-ion coincidence technique based on a magnetic bottle. Experimental evidence is presented that bond rupture occurs with highest probability in the vicinity of the initial charge localisation and possible mechanisms are discussed. We find that a significant contribution to site-specific photochemistry is made by different fragmentation patterns of individual quantum states populated at identical ionisation energies.

  • 33.
    Zagorodskikh, Sergey
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden..
    Vapa, M.
    KTH Royal Inst Technol, Sch Biotechnol, Dept Theoret Chem & Biol, SE-10691 Stockholm, Sweden.;Univ Oulu, Ctr Mol Mat Res, POB 3000, Oulu 90014, Finland..
    Vahtras, O.
    KTH Royal Inst Technol, Sch Biotechnol, Dept Theoret Chem & Biol, SE-10691 Stockholm, Sweden..
    Zhaunerchyk, Vitali
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden..
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Eland, John H. D.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden.;Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, S Parks Rd, Oxford OX1 3QZ, England..
    Squibb, R. J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden..
    Linusson, P.
    Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden..
    Jankala, K.
    Univ Oulu, Dept Phys, Oulu 90014, Finland..
    Ågren, H.
    KTH Royal Inst Technol, Sch Biotechnol, Dept Theoret Chem & Biol, SE-10691 Stockholm, Sweden..
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden..
    An experimental and theoretical study of core-valence double ionisation of acetaldehyde (ethanal)2016In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 18, no 4, p. 2535-2547Article in journal (Refereed)
    Abstract [en]

    Core-valence double ionisation spectra of acetaldehyde (ethanal) are presented at photon energies above the carbon and oxygen 1s ionisation edges, measured by a versatile multi-electron coincidence spectroscopy technique. We use this molecule as a testbed for analyzing core-valence spectra by means of quantum chemical calculations of transition energies. These theoretical approaches range from two simple models, one based on orbital energies corrected by core valence interaction and one based on the equivalent core approximation, to a systematic series of quantum chemical electronic structure methods of increasing sophistication. The two simple models are found to provide a fast orbital interpretation of the spectra, in particular in the low energy parts, while the coverage of the full spectrum is best fulfilled by correlated models. CASPT2 is the most sophisticated model applied, but considering precision as well as computational costs, the single and double excitation configuration interaction model seems to provide the best option to analyze core-valence double hole spectra.

  • 34.
    Zagorodskikh, Sergey
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Zhaunerchyk, Vitali
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Mucke, Melaine
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Eland, John H. D.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden.;Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England..
    Squibb, R. J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Karlsson, Leif
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Linusson, P.
    Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden..
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Single-photon double and triple ionization of acetaldehyde (ethanal) studied by multi-electron coincidence spectroscopy2015In: Chemical Physics, ISSN 0301-0104, E-ISSN 1873-4421, Vol. 463, p. 159-168Article in journal (Refereed)
    Abstract [en]

    Single-photon multiple ionization processes of acetaldehyde (ethanal) have been experimentally investigated by utilizing a multi-particle coincidence technique based on the time-of-flight magnetic bottle principle, in combination with either a synchrotron radiation source or a pulsed helium discharge lamp. The processes investigated include double and triple ionization in the valence region as well as single and double Auger decay of core-ionized acetaldehyde. The latter are studied site-selectively for chemically different carbon core vacancies, scrutinizing early theoretical predictions specifically made for the case of acetaldehyde. Moreover, Auger processes in shake-up and core-valence ionized states are investigated. In the cases where the processes involve simultaneous emission of two electrons, the distributions of the energy sharing are presented, emphasizing either the knock-out or shake-off mechanism.

  • 35.
    Zhaunerchyk, Vitali
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy. Univ Gothenburg, Dept Phys, Gothenburg, Sweden..
    Kaminska, Magdalena
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy. Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden.;Jan Kochanowski Univ Humanities & Sci, Inst Phys, Kielce, Poland..
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Squibb, R. J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy. Univ Gothenburg, Dept Phys, Gothenburg, Sweden.;Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London, England..
    Eland, John H. D.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy. Univ Gothenburg, Dept Phys, Gothenburg, Sweden.;Univ Oxford, Dept Chem, Oxford OX1 3QZ, England..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. UPMC, LCPMR, Paris, France.;CNRS, Paris, France..
    Frasinski, L. J.
    Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London, England..
    Grilj, J.
    SLAC Natl Accelerator Lab, Menlo Pk, CA USA..
    Koch, M.
    SLAC Natl Accelerator Lab, Menlo Pk, CA USA.;Graz Univ Technol, Inst Expt Phys, A-8010 Graz, Austria..
    McFarland, B. K.
    SLAC Natl Accelerator Lab, Menlo Pk, CA USA..
    Sistrunk, E.
    SLAC Natl Accelerator Lab, Menlo Pk, CA USA..
    Guehr, M.
    SLAC Natl Accelerator Lab, Menlo Pk, CA USA..
    Coffee, R. N.
    SLAC Natl Accelerator Lab, Menlo Pk, CA USA..
    Bostedt, C.
    SLAC Natl Accelerator Lab, Menlo Pk, CA USA..
    Bozek, J. D.
    SLAC Natl Accelerator Lab, Menlo Pk, CA USA..
    Salen, P.
    Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden..
    Meulen, P. V. D.
    Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden..
    Linusson, P.
    Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden..
    Thomas, R. D.
    Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden..
    Larsson, M.
    Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden..
    Foucar, L.
    Max Planck Inst Med Res, D-69120 Heidelberg 1, Germany..
    Ullrich, J.
    Max Planck Inst Kernphys, D-69117 Heidelberg, Germany.;Phys Tech Bundesanstalt, Bundesallee 100, Braunschweig, Germany..
    Motomura, K.
    Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 980, Japan..
    Mondal, S.
    Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 980, Japan..
    Ueda, K.
    Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 980, Japan..
    Richter, R.
    Elettra Sincrotrone Trieste, Trieste, Italy. Hiroshima Univ, Dept Chem, Hiroshima 730, Japan..
    Prince, K. C.
    Elettra Sincrotrone Trieste, Trieste, Italy. Hiroshima Univ, Dept Chem, Hiroshima 730, Japan..
    Takahashi, O.
    Elettra Sincrotrone Trieste, Trieste, Italy. Hiroshima Univ, Dept Chem, Hiroshima 730, Japan..
    Osipov, T.
    Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA..
    Fang, L.
    Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA..
    Murphy, B. F.
    Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA..
    Berrah, N.
    Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA.;Univ Connecticut, Dept Phys, Storrs, CT USA..
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy. Univ Gothenburg, Dept Phys, Gothenburg, Sweden..
    Disentangling formation of multiple-core holes in aminophenol molecules exposed to bright X-FEL radiation2015In: Journal of Physics B: Atomic, Molecular and Optical Physics, ISSN 0953-4075, E-ISSN 1361-6455, Vol. 48, no 24, article id 244003Article in journal (Refereed)
    Abstract [en]

    Competing multi-photon ionization processes, some leading to the formation of double core hole states, have been examined in 4-aminophenol. The experiments used the linac coherent light source (LCLS) x-ray free electron laser, in combination with a time-of-flight magnetic bottle electron spectrometer and the correlation analysis method of covariance mapping. The results imply that 4-aminophenol molecules exposed to the focused x-ray pulses of the LCLS sequentially absorb more than two x-ray photons, resulting in the formation of multiple core holes as well as in the sequential removal of photoelectrons and Auger electrons (so-called PAPA sequences).

  • 36.
    Zhaunerchyk, Vitali
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Salen, P.
    vd Meulen, P.
    Kaminska, Magdalena
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Squibb, Richard J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Frasinski, L. J.
    Siano, M.
    Eland, John H. D.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Linusson, P.
    Thomas, R. D.
    Larsson, M.
    Foucar, L.
    Ullrich, J.
    Motomura, K.
    Mondal, S.
    Ueda, K.
    Osipov, T.
    Fang, L.
    Murphy, B. F.
    Berrah, N.
    Bostedt, C.
    Bozek, J. D.
    Schorb, S.
    Messerschmidt, M.
    Glownia, J. M.
    Cryan, J. P.
    Coffee, R. N.
    Takahashi, O.
    Wada, S.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Richter, R.
    Prince, K. C.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Using covariance mapping to investigate the dynamics of multi-photon ionization processes of Ne atoms exposed to X-FEL pulses2013In: Journal of Physics B: Atomic, Molecular and Optical Physics, ISSN 0953-4075, E-ISSN 1361-6455, Vol. 46, no 16 SI, article id 164034Article in journal (Refereed)
    Abstract [en]

    We report on a detailed investigation into the electron emission processes of Ne atoms exposed to intense femtosecond x-ray pulses, provided by the Linac Coherent Light Source Free Electron Laser (FEL) at Stanford. The covariance mapping technique is applied to analyse the data, and the capability of this approach to disentangle both linear and nonlinear correlation features which may be hidden on coincidence maps of the same data set is demonstrated. Different correction techniques which enable improvements on the quality of the spectral features extracted from the covariance maps are explored. Finally, a method for deriving characteristics of the x-ray FEL pulses based on covariance mapping in combination with model simulations is presented.

1 - 36 of 36
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