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The isotope effects in x-ray absorption spectra of liquid water are studied by a many-body approach within electron-hole excitation theory. The molecular structures of both light and heavy water are modeled by path-integral molecular…

Disordered Systems and Neural Networks · Physics 2020-09-29 Chunyi Zhang , Linfeng Zhang , Jianhang Xu , Fujie Tang , Biswajit Santra , Xifan Wu

Results of the most sophisticated measurements in coincidence of the angular resolved K-shell photo- and Auger-electrons, and of two atomic ions produced by dissociation of N2 molecule, are analyzed. Detection of photoelectrons at certain…

The excitation of two particle-two hole final states in neutrino-nucleus scattering, not taken into account in Monte Carlo simulations for data analysis, has been advocated by many authors as the source of the excess cross section observed…

Nuclear Theory · Physics 2013-12-05 Omar Benhar , Alessandro Lovato , Noemi Rocco

Tidal disruptions are extremely powerful phenomena that have been designated as candidate sources of ultra-high-energy cosmic rays. The disruption of a star by a black hole can naturally provide protons and heavier nuclei, which can be…

High Energy Astrophysical Phenomena · Physics 2022-02-09 Claire Guépin , Kumiko Kotera , Enrico Barausse , Ke Fang , Kohta Murase

With the help of newly developed X-ray free-electron laser (XFEL) sources, creating double core holes simultaneously at the same or different atomic sites in a molecule has now become possible. Double core hole (DCH) X-ray emission is a new…

Chemical Physics · Physics 2020-01-08 Yu Zhang , Uwe Bergmann , Robert W. Schoenlein , Munira Khalil , Niranjan Govind

The development of intense high-energy radiation sources and the improvement of techniques for detecting charged fragments have made possible experiments on multiple ionization of a molecule with registration of the momentum and charge of…

The presence of two chlorine atoms in 1,2-dichloroethene allows for isomerisation around the double bond. This isomerisation can lead to rich photochemistry. We present a time-resolved pump-probe photoelectron spectroscopy measurement on…

We theoretically investigate the controlled dynamic polarization of lattice nuclear spins in GaAs double quantum dots containing two electrons. Three regimes of long-term dynamics are identified, including the build up of a large difference…

Mesoscale and Nanoscale Physics · Physics 2012-11-07 M. Gullans , J. J. Krich , J. M. Taylor , H. Bluhm , B. I. Halperin , C. M. Marcus , M. Stopa , A. Yacoby , M. D. Lukin

Ultraintense pulses from X-ray free-electron lasers can drive, within femtoseconds, multiple processes in the inner shells of atoms and molecules in all phases of matter. The ensuing complex ionization pathways of outer-shell electrons from…

To date X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Here, we focus on nuclear dynamical effects in X-ray spectra…

Chemical Physics · Physics 2016-08-12 Sven Karsten , Sergei D. Ivanov , Saadullah G. Aziz , Sergey I. Bokarev , Oliver Kühn

We employ real-space, real-time time-dependent density functional theory (TDDFT) combined with Ehrenfest dynamics to investigate ultrafast intermolecular relaxation following inner-valence ionization in hydrated pyrrole. This time-dependent…

Chemical Physics · Physics 2025-10-31 Kedong Wang , Bohui Wan , Cody L. Covington , Kalman Varga

Exchange correlation plays an important role in double-ionization of complex atoms by ultrashort laser pulse. In this work, we investigate two-photon double inner-shell electron ionization of neon induced by an attosecond extreme…

Atomic Physics · Physics 2019-06-05 Jianpeng Liu , Yongqiang Li , Jianmin Yuan

We have developed x-ray diffraction measurements with high energy-resolution and accuracy to study water structure at three different temperatures (7, 25 and 66 C) under normal pressure. Using a spherically curved Ge crystal an energy…

Soft Condensed Matter · Physics 2017-09-13 Congcong Huang , K. T. Wikfeldt , D. Nordlund , U. Bergmann , T. McQueen , J. Sellberg , L. G. M. Pettersson , A. Nilsson

Core-excitation of water ice releases many different molecules and ions in the gas phase. Studying these desorbed species and the underlying mechanisms can provide useful information on the effects of X-ray irradiation in ice. We report a…

Chemical Physics · Physics 2020-10-20 R. Dupuy , G. Féraud , M Bertin , C. Romanzin , L. Philippe , T. Putaud , X. Michaut , R. Cimino , V. Baglin , J. -H. Fillion

The attosecond ultrafast ionization dynamics of correlated two- or many-electron systems have, so far, been mainly addressed investigating atomic systems. In the case of single ionization, it is well known that electron-electron correlation…

Charge transfer is a fundamental phenomenon in biology and chemistry, and involves the movement of charge through a system driven by nuclear dynamics. Because of the involvement of nuclear motion, it is generally assumed that charge…

Chemical Physics · Physics 2024-08-27 Simon P. Neville , Martha Yaghoubi Jouybari , Michael S. Schuurman

We investigate molecular dynamics of multiple ionization in N2 through multiple core-level photoabsorption and subsequent Auger decay processes induced by intense, short X-ray free electron laser pulses. The timing dynamics of the…

We predict that attosecond spectroscopy could be used to observe time delay for electron emission {in the C$^{1+}$ ion} from a few step processes {that include electron impact excitation}. The results reveal that the photon energy…

Atomic Physics · Physics 2018-10-01 Valdas Jonauskas , Šarūnas Masys

We have performed X-ray two-photon photoelectron spectroscopy (XTPPS) using the Linac Coherent Light Source (LCLS) X-ray free-electron laser (FEL) in order to study double core-hole (DCH) states of CO2, N2O and N2. The experiment verifies…

When an ice crystal is born from liquid water two key changes occur: (i) the molecules order; and (ii) the mobility of the molecules drops as they adopt their lattice positions. Most research on ice nucleation (and crystallization in…

Chemical Physics · Physics 2019-03-27 Martin Fitzner , Gabriele C. Sosso , Stephen J. Cox , Angelos Michaelides