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Ultrafast Spectroscopy and Diffraction from XUV to X-ray

The fields of ultrafast spectroscopy and diffraction with high energy photons and electrons are poised to make big advances in experiment and theory as both table-top and large-scale user facilities continue to develop. The goal of this special topic is to highlight the cutting edge research being conducted by research groups all over the world using 10 eV - 20 keV photons and keV - meV electrons to study a wide range of problems in chemical physics from the gas to the condensed phase.

Guest Editors: Munira Khalil and Shaul Mukamel

EDITORIALS

Ultrafast spectroscopy and diffraction from XUV to x-ray

Munira Khalil; Shaul Mukamel

10.1063/5.0026054

Atoms, Molecules, and Clusters

Electron spectroscopic study of nanoplasma formation triggered by intense soft x-ray pulses

Akinobu Niozu; Naomichi Yokono; Toshiyuki Nishiyama; Hironobu Fukuzawa; Tomohiro Sakurazawa; Kazuhiro Matsuda; Tsukasa Takanashi; Daehyun You; Yiwen Li; Taishi Ono; Thomas Gaumnitz; Markus Schöffler; Sven Grundmann; Shin-ichi Wada; Paolo Carpeggiani; Wei Qing Xu; Xiao Jing Liu; Shigeki Owada; Kensuke Tono; Tadashi Togashi; Makina Yabashi; Nikolai V. Kryzhevoi; Kirill Gokhberg; Alexander I. Kuleff; Lorenz S. Cederbaum; Kiyoshi Ueda; Kiyonobu Nagaya

10.1063/1.5115053

Atoms, Molecules, and Clusters

Theory of ultrafast x-ray scattering by molecules in the gas phase

Mats Simmermacher; Andrés Moreno Carrascosa; Niels E. Henriksen; Klaus B. Møller; Adam Kirrander

10.1063/1.5110040

Theoretical Methods and Algorithms

Double core hole valence-to-core x-ray emission spectroscopy: A theoretical exploration using time-dependent density functional theory

Yu Zhang; Uwe Bergmann; Robert Schoenlein; Munira Khalil; Niranjan Govind

10.1063/1.5111141

Atoms, Molecules, and Clusters

Elucidation of the photoaquation reaction mechanism in ferrous hexacyanide using synchrotron x-rays with sub-pulse-duration sensitivity

Anne Marie March; Gilles Doumy; Amity Andersen; Andre Al Haddad; Yoshiaki Kumagai; Ming-Feng Tu; Joohee Bang; Christoph Bostedt; Jens Uhlig; Daniel R. Nascimento; Tadesse A. Assefa; Zoltán Németh; György Vankó; Wojciech Gawelda; Niranjan Govind; Linda Young

10.1063/1.5117318

Theoretical Methods and Algorithms

Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges

Rasmus Faber; Eirik F. Kjønstad; Henrik Koch; Sonia Coriani

10.1063/1.5112164

Atoms, Molecules, and Clusters

Temporal and spatially resolved imaging of the correlated nuclear-electronic dynamics and of the ionized photoelectron in a coherently electronically highly excited vibrating LiH molecule

Stephan van den Wildenberg; Benoit Mignolet; R. D. Levine; F. Remacle

10.1063/1.5116250

Theoretical Methods and Algorithms

Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations

Shota Tsuru; Marta L. Vidal; Mátyás Pápai; Anna I. Krylov; Klaus B. Møller; Sonia Coriani

10.1063/1.5115154

Atoms, Molecules, and Clusters

Capturing the photo-induced dynamics of nano-molecules by X-ray free electron laser induced Coulomb explosion

Kaoru Yamazaki; Naoyuki Niitsu; Manabu Kanno; Kiyoshi Ueda; Hirohiko Kono

10.1063/1.5115072

Theoretical Methods and Algorithms

A combined multi-reference pump-probe simulation method with application to XUV signatures of ultrafast methyl iodide photodissociation

Han Wang; Michael Odelius; David Prendergast

10.1063/1.5116816

Surfaces, Interfaces, and Materials

Ultrafast time-resolved structural changes of thin-film ferromagnetic metal heated with femtosecond optical pulses

Runze Li; H. E. Elsayed-Ali; Jie Chen; Dinesh Dhankhar; Arjun Krishnamoorthi; Peter M. Rentzepis

10.1063/1.5111578

Theoretical Methods and Algorithms

Ab initio simulations of complementary K-edges and solvatization effects for detection of proton transfer in aqueous 2-thiopyridone

J. Norell; S. Eckert; B. E. Van Kuiken; A. Föhlisch; M. Odelius

10.1063/1.5109840

Atoms, Molecules, and Clusters

Time resolved mechanism of the isotope selectivity in the ultrafast light induced dissociation in N₂

Ksenia G. Komarova; Francoise Remacle; R. D. Levine

10.1063/1.5118990

Atoms, Molecules, and Clusters

Autoionization dynamics of (²P_1/2)ns/d states in krypton probed by noncollinear wave mixing with attosecond extreme ultraviolet and few-cycle near infrared pulses

Ashley P. Fidler; Hugo J. B. Marroux; Erika R. Warrick; Etienne Bloch; Wei Cao; Stephen R. Leone; Daniel M. Neumark

10.1063/1.5113912

Theoretical Methods and Algorithms

X-ray linear and non-linear spectroscopy of the ESCA molecule

Artur Nenov; Francesco Segatta; Adam Bruner; Shaul Mukamel; Marco Garavelli

10.1063/1.5116699

Atoms, Molecules, and Clusters

Resolving the ultrafast intersystem crossing in a bimetallic platinum complex

Andrew J. S. Valentine; Joseph J. Radler; Alexis Mills; Pyosang Kim; Felix N. Castellano; Lin X. Chen; Xiaosong Li

10.1063/1.5115169

Atoms, Molecules, and Clusters

Photo-ionization and fragmentation of Sc₃N@C₈₀ following excitation above the Sc K-edge

Razib Obaid; Kirsten Schnorr; Thomas J. A. Wolf; Tsukasa Takanashi; Nora G. Kling; Kuno Kooser; Kiyonobu Nagaya; Shin-ichi Wada; Li Fang; Sven Augustin; Daehyun You; Eleanor E. B. Campbell; Hironobu Fukuzawa; Claus P. Schulz; Kiyoshi Ueda; Pascal Lablanquie; Thomas Pfeifer; Edwin Kukk; Nora Berrah

10.1063/1.5110297

Atoms, Molecules, and Clusters