TY - JOUR A1 - Dlugaiczyk, Martina A1 - Blastenbrei, Peter A1 - Haas, Hagen A1 - Schmitt, Bernhard A1 - Pühringer, Andrea A1 - Reimer, Torsten A1 - Schreiter, René A1 - Podruczny, Grzegorz A1 - Huntebrinker, Jan Willem A1 - Mehrkens, Heidi A1 - Körber, Esther-Beate A1 - Göse, Frank A1 - Feistauer, Daniela A1 - Muth, Jörg A1 - Busch, Michael A1 - Krebs, Daniel A1 - Luh, Jürgen A1 - Ludwig, Ulrike T1 - Militär und Gesellschaft in der Frühen Neuzeit N2 - Aus dem Inhalt dieser Ausgabe: BEITRÄGE: Martina Dlugaiczyk: Der Waffenstillstand (1609-1621) als Medienereignis Peter Blastenbrei: Literaten und Soldaten (Teil 2) Hagen Haas: "Denn die Bombe, wann sie fällt ..." PROJEKTE: Bernhard Schmitt: "... eine ausgedehnte Gelegenheit zu einer ordentlichen Versorgung und besseren Fortkommen in dem Militärdienste" Andrea Pühringer: Die Darstellung von -Gewalt- im Krieg Torsten Reimer: Armada und Seeschlacht René Schreiter: Das Große Militärwaisenhaus zu Potsdam Grzegorz Podruczny: Preußische Militärarchitektur in Schlesien Jan Willem Huntebrinker: "Von der landsknecht lumphosen" BERICHTE: Heidi Mehrkens: Besatzung, Funktion und Gestalt militärischer Fremdherrschaft Esther-Beate Körber: Bericht über die Tagung der Arbeitsgemeinschaft zur preußischen Geschichte REZENSIONEN: Frank Göse: Dreißigjähriger Krieg und Westfälischer Friede. Forschungen aus westfälischen Adelsarchiven. Vorträge auf dem Kolloquium der Vereinigten Westfälischen Adelsarchive e. V. vom 3.-4. Dezember 1998 in Münster, Selbstverlag der Vereinigten Westfälischen Adelsarchive e. V. 2000 Daniela Feistauer: Karen Hagemann, "Mannlicher Muth und Teutsche Ehre". Nation, Militär und Geschlecht zur Zeit der Antinapo-leonischen Kriege Preußens, Paderborn, München, Wien, Zürich: Ferdinand Schöningh 2002 Jörg Muth: Das Heerwesen in Brandenburg und Preußen von 1640 bis 1806. Bd. 1: Olaf Groehler, Das Heerwesen, 2. Aufl., Berlin: Brandenburgisches Verlaghaus 2001 Michael Busch: Annette Hempel, "Eigentlicher Bericht / So wol auch Abkontra-feytung." Eine Untersuchung der nicht-allegorischen Nach-richtenblätter zu den Schlachten und Belagerungen der schwedischen Armee unter Gustav II Adolf (1628/30-1632), Frankfurt a. M.: Peter Lang Verlag 2000 Daniel Krebs: Michael Zimmer’s Diary. Ein deutsches Tagebuch aus dem Amerikanischen Bürgerkrieg, hrsg. von Jürgen Macha und Andrea Wolf, Frankfurt am Main, Berlin u. a.: Peter Lang Verlag 2001 Jürgen Luh: Michael Hochedlinger, Krise und Wiederherstellung. Öster-reichische Großmachtpolitik zwischen Türkenkrieg und "Zweiter Diplomatischer Revolution" 1787-1791, Berlin Duncker & Humblot 2000 Ulrike Ludwig: Sine ira et studio. Militärhistorische Studien zur Erinnerung an Hans Schmidt, hrsg. von Uta Lindgren, Karl Schnith und Jakob Seibert, Kallmünz/OPF.: Verlag Michael Lassleben 2001 T3 - Militär und Gesellschaft in der frühen Neuzeit - 7, Heft 1 KW - Militär / Geschichte Y1 - 2003 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus-28093 SN - 1617-9722 SN - 1861-910X VL - 7 IS - 1 ER - TY - JOUR A1 - Vaz da Cruz, Vinicius A1 - Ertan, Emelie A1 - Couto, Rafael C. A1 - Eckert, Sebastian A1 - Fondell, Mattis A1 - Dantz, Marcus A1 - Kennedy, Brian A1 - Schmitt, Thorsten A1 - Pietzsch, Annette A1 - Guimaraes, Freddy F. A1 - Ågren, Hans A1 - Odelius, Michael A1 - Föhlisch, Alexander A1 - Kimberg, Victor T1 - A study of the water molecule using frequency control over nuclear dynamics in resonant X-ray scattering JF - Physical chemistry, chemical physics : a journal of European Chemical Societies N2 - In this combined theoretical and experimental study we report a full analysis of the resonant inelastic X-ray scattering (RIXS) spectra of H2O, D2O and HDO. We demonstrate that electronically-elastic RIXS has an inherent capability to map the potential energy surface and to perform vibrational analysis of the electronic ground state in multimode systems. We show that the control and selection of vibrational excitation can be performed by tuning the X-ray frequency across core-excited molecular bands and that this is clearly reflected in the RIXS spectra. Using high level ab initio electronic structure and quantum nuclear wave packet calculations together with high resolution RIXS measurements, we discuss in detail the mode coupling, mode localization and anharmonicity in the studied systems. Y1 - 2017 U6 - https://doi.org/10.1039/c7cp01215b SN - 1463-9076 SN - 1463-9084 VL - 19 SP - 19573 EP - 19589 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Vaz da Cruz, Vinicius A1 - Eckert, Sebastian A1 - Iannuzzi, Marcella A1 - Ertan, Emelie A1 - Pietzsch, Annette A1 - Couto, Rafael C. A1 - Niskanen, Johannes A1 - Fondell, Mattis A1 - Dantz, Marcus A1 - Schmitt, Thorsten A1 - Lu, Xingye A1 - McNally, Daniel A1 - Jay, Raphael Martin A1 - Kimberg, Victor A1 - Föhlisch, Alexander A1 - Odelius, Michael T1 - Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering JF - Nature Communications N2 - Local probes of the electronic ground state are essential for understanding hydrogen bonding in aqueous environments. When tuned to the dissociative core-excited state at the O1s pre-edge of water, resonant inelastic X-ray scattering back to the electronic ground state exhibits a long vibrational progression due to ultrafast nuclear dynamics. We show how the coherent evolution of the OH bonds around the core-excited oxygen provides access to high vibrational levels in liquid water. The OH bonds stretch into the long-range part of the potential energy curve, which makes the X-ray probe more sensitive than infra-red spectroscopy to the local environment. We exploit this property to effectively probe hydrogen bond strength via the distribution of intramolecular OH potentials derived from measurements. In contrast, the dynamical splitting in the spectral feature of the lowest valence-excited state arises from the short-range part of the OH potential curve and is rather insensitive to hydrogen bonding. Y1 - 2019 U6 - https://doi.org/10.1038/s41467-019-08979-4 SN - 2041-1723 VL - 10 PB - Nature Publ. Group CY - London ER - TY - JOUR A1 - Eckert, Sebastian A1 - Vaz da Cruz, Vinicius A1 - Ertan, Emelie A1 - Ignatova, Nina A1 - Polyutov, Sergey A1 - Couto, Rafael C. A1 - Fondell, Mattis A1 - Dantz, Marcus A1 - Kennedy, Brian A1 - Schmitt, Thorsten A1 - Pietzsch, Annette A1 - Odelius, Michael A1 - Föhlisch, Alexander T1 - One-dimensional cuts through multidimensional potential-energy surfaces by tunable x rays JF - Physical review : A, Atomic, molecular, and optical physics N2 - The concept of the potential-energy surface (PES) and directional reaction coordinates is the backbone of our description of chemical reaction mechanisms. Although the eigenenergies of the nuclear Hamiltonian uniquely link a PES to its spectrum, this information is in general experimentally inaccessible in large polyatomic systems. This is due to (near) degenerate rovibrational levels across the parameter space of all degrees of freedom, which effectively forms a pseudospectrum given by the centers of gravity of groups of close-lying vibrational levels. We show here that resonant inelastic x-ray scattering (RIXS) constitutes an ideal probe for revealing one-dimensional cuts through the ground-state PES of molecular systems, even far away from the equilibrium geometry, where the independent-mode picture is broken. We strictly link the center of gravity of close-lying vibrational peaks in RIXS to a pseudospectrum which is shown to coincide with the eigenvalues of an effective one-dimensional Hamiltonian along the propagation coordinate of the core-excited wave packet. This concept, combined with directional and site selectivity of the core-excited states, allows us to experimentally extract cuts through the ground-state PES along three complementary directions for the showcase H2O molecule. Y1 - 2018 U6 - https://doi.org/10.1103/PhysRevA.97.053410 SN - 2469-9926 SN - 2469-9934 VL - 97 IS - 5 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Ertan, Emelie A1 - Savchenko, Viktoriia A1 - Ignatova, Nina A1 - Vaz da Cruz, Vinicius A1 - Couto, Rafael C. A1 - Eckert, Sebastian A1 - Fondell, Mattis A1 - Dantz, Marcus A1 - Kennedy, Brian A1 - Schmitt, Thorsten A1 - Pietzsch, Annette A1 - Föhlisch, Alexander A1 - Odelius, Michael A1 - Kimberg, Victor T1 - Ultrafast dissociation features in RIXS spectra of the water molecule JF - Physical chemistry, chemical physics : a journal of European Chemical Societies N2 - In this combined theoretical and experimental study we report on an analysis of the resonant inelastic X-ray scattering (RIXS) spectra of gas phase water via the lowest dissociative core-excited state |1s−1O4a11〉. We focus on the spectral feature near the dissociation limit of the electronic ground state. We show that the narrow atomic-like peak consists of the overlapping contribution from the RIXS channels back to the ground state and to the first valence excited state |1b−114a11〉 of the molecule. The spectral feature has signatures of ultrafast dissociation (UFD) in the core-excited state, as we show by means of ab initio calculations and time-dependent nuclear wave packet simulations. We show that the electronically elastic RIXS channel gives substantial contribution to the atomic-like resonance due to the strong bond length dependence of the magnitude and orientation of the transition dipole moment. By studying the RIXS for an excitation energy scan over the core-excited state resonance, we can understand and single out the molecular and atomic-like contributions in the decay to the lowest valence-excited state. Our study is complemented by a theoretical discussion of RIXS in the case of isotopically substituted water (HDO and D2O) where the nuclear dynamics is significantly affected by the heavier fragments' mass. Y1 - 2018 U6 - https://doi.org/10.1039/c8cp01807c SN - 1463-9076 SN - 1463-9084 VL - 20 IS - 21 SP - 14384 EP - 14397 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Couto, Rafael C. A1 - Cruz, Vinicius V. A1 - Ertan, Emelie A1 - Eckert, Sebastian A1 - Fondell, Mattis A1 - Dantz, Marcus A1 - Kennedy, Brian A1 - Schmitt, Thorsten A1 - Pietzsch, Annette A1 - Guimaraes, Freddy F. A1 - Agren, Hans A1 - Odelius, Michael A1 - Kimberg, Victor A1 - Föhlisch, Alexander T1 - Selective gating to vibrational modes through resonant X-ray scattering JF - Nature Communications N2 - The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations. Y1 - 2017 U6 - https://doi.org/10.1038/ncomms14165 SN - 2041-1723 VL - 8 PB - Nature Publ. Group CY - London ER - TY - JOUR A1 - Vaz da Cruz, Vinícius A1 - Ignatova, Nina A1 - Couto, Rafael A1 - Fedotov, Daniil A1 - Rehn, Dirk R. A1 - Savchenko, Viktoriia A1 - Norman, Patrick A1 - Ågren, Hans A1 - Polyutov, Sergey A1 - Niskanen, Johannes A1 - Eckert, Sebastian A1 - Jay, Raphael Martin A1 - Fondell, Mattis A1 - Schmitt, Thorsten A1 - Pietzsch, Annette A1 - Föhlisch, Alexander A1 - Odelius, Michael A1 - Kimberg, Victor A1 - Gel’mukhanov, Faris T1 - Nuclear dynamics in resonant inelastic X-ray scattering and X-ray absorption of methanol JF - The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr N2 - We report on a combined theoretical and experimental study of core-excitation spectra of gas and liquid phase methanol as obtained with the use of X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). The electronic transitions are studied with computational methods that include strict and extended second-order algebraic diagrammatic construction [ADC(2) and ADC(2)-x], restricted active space second-order perturbation theory, and time-dependent density functional theory-providing a complete assignment of the near oxygen K-edge XAS. We show that multimode nuclear dynamics is of crucial importance for explaining the available experimental XAS and RIXS spectra. The multimode nuclear motion was considered in a recently developed "mixed representation" where dissociative states and highly excited vibrational modes are accurately treated with a time-dependent wave packet technique, while the remaining active vibrational modes are described using Franck-Condon amplitudes. Particular attention is paid to the polarization dependence of RIXS and the effects of the isotopic substitution on the RIXS profile in the case of dissociative core-excited states. Our approach predicts the splitting of the 2a RIXS peak to be due to an interplay between molecular and pseudo-atomic features arising in the course of transitions between dissociative core- and valence-excited states. The dynamical nature of the splitting of the 2a peak in RIXS of liquid methanol near pre-edge core excitation is shown. The theoretical results are in good agreement with our liquid phase measurements and gas phase experimental data available from the literature. (C) 2019 Author(s). Y1 - 2019 U6 - https://doi.org/10.1063/1.5092174 SN - 0021-9606 SN - 1089-7690 VL - 150 IS - 23 PB - American Institute of Physics CY - Melville ER - TY - GEN A1 - Couto, Rafael C. A1 - Cruz, Vinicius V. A1 - Ertan, Emelie A1 - Eckert, Sebastian A1 - Fondell, Mattis A1 - Dantz, Marcus A1 - Kennedy, Brian A1 - Schmitt, Thorsten A1 - Pietzsch, Annette A1 - Guimarães, Freddy F. A1 - Ågren, Hans A1 - Gel’mukhanov, Faris A1 - Odelius, Michael A1 - Kimberg, Victor A1 - Föhlisch, Alexander T1 - Selective gating to vibrational modes through resonant X-ray scattering T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1124 KW - potential-energy surface KW - raman-scattering KW - water-vapor KW - spectroscopy KW - chemistry KW - molecule KW - spectrum KW - CM(-1) KW - states KW - NM Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-436926 SN - 1866-8372 IS - 1124 ER - TY - GEN A1 - Vaz da Cruz, Vinicius A1 - Ertan, Emelie A1 - Couto, Rafael C. A1 - Eckert, Sebastian A1 - Fondell, Mattis A1 - Dantz, Marcus A1 - Kennedy, Brian A1 - Schmitt, Thorsten A1 - Pietzsch, Annette A1 - Guimarães, Freddy F. A1 - Ågren, Hans A1 - Gel'mukhanov, Faris A1 - Odelius, Michael A1 - Föhlisch, Alexander A1 - Kimberg, Victor T1 - A study of the water molecule using frequency control over nuclear dynamics in resonant X-ray scattering T2 - Postprints der Universität Potsdam Mathematisch-Naturwissenschaftliche Reihe N2 - In this combined theoretical and experimental study we report a full analysis of the resonant inelastic X-ray scattering (RIXS) spectra of H2O, D2O and HDO. We demonstrate that electronically-elastic RIXS has an inherent capability to map the potential energy surface and to perform vibrational analysis of the electronic ground state in multimode systems. We show that the control and selection of vibrational excitation can be performed by tuning the X-ray frequency across core-excited molecular bands and that this is clearly reflected in the RIXS spectra. Using high level ab initio electronic structure and quantum nuclear wave packet calculations together with high resolution RIXS measurements, we discuss in detail the mode coupling, mode localization and anharmonicity in the studied systems. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 781 KW - raman-scattering KW - vibrational structure KW - fast dissociation KW - auger spectrum KW - liquid water KW - spectroscopy KW - emission KW - collapse KW - states KW - vapor Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-436901 SN - 1866-8372 IS - 781 SP - 19573 EP - 19589 ER - TY - JOUR A1 - Insel, N. A1 - Grove, M. A1 - Haschke, Michael A1 - Barnes, J. B. A1 - Schmitt, Axel K. A1 - Strecker, Manfred T1 - Paleozoic to early Cenozoic cooling and exhumation of the basement underlying the eastern Puna plateau margin prior to plateau growth JF - Tectonics N2 - Constraining the pre-Neogene history of the Puna plateau is crucial for establishing the initial conditions that attended the early stage evolution of the southern extent of the Andean plateau. We apply high-to low-temperature thermochronology data from plutonic rocks in northwestern Argentina to quantify the Paleozoic, Mesozoic and early Tertiary cooling history of the Andean crust. U-Pb crystallization ages of zircons indicate that pluton intrusion occurred during the early mid-Ordovician (490-470 Ma) and the late Jurassic (160-150 Ma). Lower-temperature cooling histories from Ar-40/Ar-39 analyses of K-feldspar vary substantially. Basement rocks underlying the western Puna resided at temperatures below 200 degrees C (<6 km depth) since the Devonian (similar to 400 Ma). In contrast, basement rocks underlying the southeastern Puna were hotter (similar to 200-300 degrees C) throughout the Paleozoic and Jurassic and cooled to temperatures of <200 degrees C by similar to 120 Ma. The southeastern Puna basement records a rapid cooling phase coeval with active extension of the Cretaceous Salta rift at similar to 160-100 Ma that we associate with tectonic faulting and lithospheric thinning. The northeastern Puna experienced protracted cooling until the late Cretaceous with temperatures <200 degrees C during the Paleocene. Higher cooling rates between 78 and 55 Ma are associated with thermal subsidence during the postrift stage of the Salta rift and/or shortening-related flexural subsidence. Accelerated cooling and deformation during the Eocene was focused within a narrow zone along the eastern Puna/Eastern Cordillera transition that coincides with Paleozoic/Mesozoic structural and thermal boundaries. Our results constrain regional erosion-induced cooling throughout the Cenozoic to have been less than similar to 150 degrees C, which implies total Cenozoic denudation of <6-4 km. Y1 - 2012 U6 - https://doi.org/10.1029/2012TC003168 SN - 0278-7407 VL - 31 IS - 23 PB - American Geophysical Union CY - Washington ER -