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High-energy electrons that are used as a probe of specimens in transmission electron microscopy exhibit a complex and rich behavior due to multiple scattering. Among other things, understanding the dynamical effects is needed for a…

Computational Physics · Physics 2018-11-26 Tadas Paulauskas , Robert F. Klie

We obtain continuum molecular wavefunctions for open-shell molecules in the Hartree-Fock framework. We do so while accounting for the singlet or triplet total spin symmetry of the molecular ion, that is, of the open-shell orbital and the…

Atomic Physics · Physics 2023-07-04 M. E. Mountney , T. C. Driver , A. Marinelli , M. F. Kling , J. P. Cryan , A. Emmanouilidou

Ionic liquid ion sources are a promising technology that can be used for many applications from space propulsion to focused ion beam microetching. Ionic liquid ion sources produce ion beams by extracting single ions and metastable solvated…

Chemical Physics · Physics 2021-11-17 Madeleine Schroeder

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…

The theory of resonant Auger decay of atoms in a high intensity coherent X-ray pulse is presented. The theory includes the coupling between the ground state and the resonance due to an intense X-ray pulse, taking into account the decay of…

Atomic Physics · Physics 2011-05-27 Philipp V Demekhin , Lorenz S. Cederbaum

The radiation-induced damages in bio-molecules are ubiquitous processes in radiotherapy, radio-biology and critical to space-projects. In this study we present a precise quantification of the fragmentation mechanisms of deoxyribonucleic…

Biological Physics · Physics 2022-01-28 Santosh KC , Ramin Abolfath

In this paper, we theoretically study x-ray multiphoton ionization dynamics of heavy atoms taking into account relativistic and resonance effects. When an atom is exposed to an intense x-ray pulse generated by an x-ray free-electron laser…

Atomic Physics · Physics 2017-04-26 Koudai Toyota , Sang-Kil Son , Robin Santra

L-shell ionisation and subsequent Coulomb explosion of fully deuterated methyl iodide, CD$_3$I, irradiated with hard x-rays has been examined by a time-of-flight multi-ion coincidence technique. The core vacancies relax efficiently by Auger…

We describe a method to compute photon-matter interaction and atomic dynamics with X-ray lasers using a hybrid code based on classical molecular dynamics and collisional-radiative calculations. The forces between the atoms are dynamically…

Understanding the interaction of intense, femtosecond X-ray pulses with heavy atoms is crucial for gaining insights into the structure and dynamics of matter. One key aspect of nonlinear light-matter interaction was, so far, not studied…

In molecular photofragmentation processes by soft X-rays, a number of ionic fragments can be produced, each having a different abundance and correlation with the emitted electron kinetic energy. For investigating these fragmentation…

Atomic Physics · Physics 2007-05-23 G. Pruemper , K. Ueda

We develop a new approach to production of the spectator nucleons in the heavy ion collisions. The energy transfer to the spectator system is calculated using the Monte Carlo based on the updated version of our generator of configurations…

Nuclear Theory · Physics 2011-04-29 M. Alvioli , M. Strikman

Dynamical and thermal characterizations of excited nuclear systems produced during the collisions between two heavy ions at intermediate incident energies are presented by means of a review of experimental and theoretical work performed in…

Nuclear Experiment · Physics 2009-11-11 G. Verde , A. Chbihi , R. Ghetti , J. Helgesson

Double-core-hole (DCH) states in isolated water and heavy water molecules, resulting from the sequential absorption of two x-ray photons, have been investigated. A comparison of the subsequent Auger emission spectra from the two isotopes…

We present the implementation of an electronic-structure approach dedicated to ionization dynamics of molecules interacting with x-ray free-electron laser (XFEL) pulses. In our scheme, molecular orbitals for molecular core-hole states are…

Chemical Physics · Physics 2015-05-18 Yajiang Hao , Ludger Inhester , Kota Hanasaki , Sang-Kil Son , Robin Santra

A recent and unexpected discrepancy between \textit{ab initio} simulations and the interpretation of a laser shock experiment on aluminum, probed by X-ray Thomson scattering (XRTS), is addressed. The ion-ion structure factor deduced from…

Plasma Physics · Physics 2020-11-19 J. Clerouin , P. Arnault , G. Robert , C. Ticknor , J. Kress , L. Collins

Multiple electron processes occur widely in atoms, molecules, clusters, and condensed matters when they are interacting with energetic particles or intense laser fields. In this work, a unified and accurate theoretical formalism is proposed…

Atomic Physics · Physics 2018-04-18 Pengfei Liu , Jiaolong Zeng , Jianmin Yuan

Auger electrons emitted after nuclear decay have potential application in targeted cancer therapy. For this purpose it is important to know the Auger electron yield per nuclear decay. In this work we describe a measurement of the ratio of…

Nuclear Experiment · Physics 2018-04-18 M. Alotiby , I. Greguric , T. Kibédi , B. Q. Lee , M. Roberts , A. E. Stuchbery , Pi Tee , T. Tornyi , M. Vos

We present high resolution laboratory spectra of K-shell X-ray lines from inner-shell excited and ionized ions of oxygen, obtained with a reflection grating spectrometer on the electron beam ion trap (EBIT-I) at the Lawrence Livermore…