# FS-CFEL-3

 2017-11-1611:35 [PUBDB-2017-12040] Journal Article Santra, R. Time-resolved ultrafast x-ray scattering from an incoherent electronic mixture Physical review / A 96(5), 053413 (2017) [10.1103/PhysRevA.96.053413]   Time-resolved ultrafast x-ray scattering from photoexcited matter is an emerging method to image ultrafast dynamics in matter with atomic-scale spatial and temporal resolutions. For a correct and rigorous understanding of current and upcoming imaging experiments, we present the theory of time-resolved x-ray scattering from an incoherent electronic mixture using quantum electrodynamical theory of light-matter interaction [...] OpenAccess: PDF PDF (PDFA); 2017-11-0312:05 [PUBDB-2017-11678] Journal Article Vendrell, O. Ab Initio Investigation of Nonlinear Mode Coupling in C$_{60}$ The journal of physical chemistry letters 8, 5543 - 5547 (2017) [10.1021/acs.jpclett.7b02573]   Strong light fields may be used to control molecular structure, thus providing a route to new, light-induced phases of matter. In this context, we present an ab initio molecular dynamics investigation of nonlinear mode coupling in C$_{60}$ and show that, under suitable conditions, resonant infrared excitation induces significant structural changes in the system [...] Restricted: PDF PDF (PDFA); 2017-09-2211:13 [PUBDB-2017-10986] Journal Article et al 2D THz-THz-Raman Photon-Echo Spectroscopy of Molecular Vibrations in Liquid Bromoform The journal of physical chemistry letters 8(18), 4640 - 4644 (2017) [10.1021/acs.jpclett.7b02106]   Fundamental properties of molecular liquids are governed by long-range interactions that most prominently manifest at terahertz (THz) frequencies. Here we report the detection of nonlinear THz photon-echo (rephasing) signals in liquid bromoform using THz-THz-Raman spectroscopy. [...] Restricted: PDF PDF (PDFA); 2017-09-1913:46 [PUBDB-2017-10894] Journal Article et al Picosecond relaxation of X-ray excited GaAs High energy density physics 24, 15 - 21 (2017) [10.1016/j.hedp.2017.05.012]   In this paper we present the current status of our theoretical studies on ultrafast relaxation of X-ray/XUV excited gallium arsenide. First, we discuss our previous approach, the unified model based on rate equations, two-temperature model and the extended Drude approach. [...] Restricted: PDF PDF (PDFA); 2017-09-1309:50 [PUBDB-2017-10687] Journal Article et al Simulations of ultrafast x–ray laser experiments SPIE Optics + Optoelectronics, Meeting locationPrague, Czech Republic, Proceedings of SPIE 10237, 102370S (2017) [10.1117/12.2270552]   Simulations of experiments at modern light sources, such as optical laser laboratories, synchrotrons, and free electron lasers, become increasingly important for the successful preparation, execution, and analysis of these experiments investigating ever more complex physical systems, e.g. biomolecules, complex materials, and ultra–short lived states of matter at extreme conditions. [...] Restricted: PDF PDF (PDFA); 2017-09-0712:59 [PUBDB-2017-10472] Journal Article et al Ultrafast isomerization in acetylene dication after carbon K-shell ionization Nature Communications 8(1), 453 (2017) [10.1038/s41467-017-00426-6]   Ultrafast proton migration and isomerization are key processes for acetylene and its ions. However, the mechanism for ultrafast isomerization of acetylene [HCCH]$^{2+}$to vinylidene [H$_2$CC]$^{2+}$ dication remains nebulous [...] OpenAccess: PDF PDF (PDFA); 2017-09-0512:28 [PUBDB-2017-10340] Journal Article et al Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser IUCrJ 4(5), 560 - 568 (2017) [10.1107/S2052252517009496]   Single-particle imaging with X-ray free-electron lasers (XFELs) has the potential to provide structural information at atomic resolution for non-crystalline biomolecules. This potential exists because ultra-short intense pulses can produce interpretable diffraction data notwithstanding radiation damage [...] OpenAccess: PDF PDF (PDFA); 2017-09-0411:09 [PUBDB-2017-10290] Journal Article et al Simulations of single-particle imaging of hydrated proteins with x-ray free-electron lasers Advances in Computational Methods for X-Ray Optics IV, Meeting locationSan Diego, United States, 6 Aug 2017 - 10 Aug 2017 Proceedings of SPIE 10388, 10388OM (2017) [10.1117/12.2275274]   We employ start–to-end simulations to model coherent diffractive imaging of single biomolecules usingx-ray free electron lasers. This technique is expected to yield new structural information about biologically relevantmacromolecules thanks to the ability to study the isolated sample in its natural environment as opposed to crystallizedor cryogenic samples. [...] Restricted: PDF PDF (PDFA); 2017-08-2813:32 [PUBDB-2017-09980] Journal Article et al Molecular-dynamics approach for studying the nonequilibrium behavior of x-ray-heated solid-density matter Physical review / E 96(2), 023205 (2017) [10.1103/PhysRevE.96.023205]   When matter is exposed to a high-intensity x-ray free-electron-laser pulse, the x rays excite inner-shell electrons leading to the ionization of the electrons through various atomic processes and creating high-energy-density plasma, i.e., warm or hot dense matter. The resulting system consists of atoms in various electronic configurations, thermalizing on subpicosecond to picosecond timescales after photoexcitation [...] OpenAccess: PDF PDF (PDFA); 2017-07-3111:48 [PUBDB-2017-08762] Journal Article et al Cationic and Anionic Impact on the Electronic Structure of Liquid Water The journal of physical chemistry letters 8(16), 3759–3764 (2017) [10.1021/acs.jpclett.7b01392]   Hydration shells around ions are crucial for many fundamental biological and chemical processes. Their local physicochemical properties are quite different from those of bulk water and hard to probe experimentally. [...] Restricted: PDF PDF (PDFA);