Linac coherent light source: The first five years

C Bostedt, S Boutet, DM Fritz, Z Huang, HJ Lee… - Reviews of Modern …, 2016 - APS
A new scientific frontier opened in 2009 with the start of operations of the world's first x-ray
free-electron laser (FEL), the Linac Coherent Light Source (LCLS), at SLAC National …

Using X-ray free-electron lasers for spectroscopy of molecular catalysts and metalloenzymes

U Bergmann, J Kern, RW Schoenlein, P Wernet… - Nature Reviews …, 2021 - nature.com
The metal centres in metalloenzymes and molecular catalysts are responsible for the
rearrangement of atoms and electrons during complex chemical reactions, and they enable …

Highly accurate prediction of core spectra of molecules at density functional theory cost: Attaining sub-electronvolt error from a restricted open-shell Kohn–Sham …

D Hait, M Head-Gordon - The journal of physical chemistry letters, 2020 - ACS Publications
We present the use of the recently developed square gradient minimization (SGM) algorithm
for excited-state orbital optimization to obtain spin-pure restricted open-shell Kohn–Sham …

Multidimensional attosecond resonant X-ray spectroscopy of molecules: Lessons from the optical regime

S Mukamel, D Healion, Y Zhang… - Annual review of …, 2013 - annualreviews.org
New free-electron laser and high-harmonic generation X-ray light sources are capable of
supplying pulses short and intense enough to perform resonant nonlinear time-resolved …

Ultra-fast and ultra-intense x-ray sciences: first results from the Linac Coherent Light Source free-electron laser

C Bostedt, JD Bozek, PH Bucksbaum… - Journal of Physics B …, 2013 - iopscience.iop.org
X-ray free-electron lasers (FELs) produce femtosecond x-ray pulses with unprecedented
intensities that are uniquely suited for studying many phenomena in atomic, molecular, and …

X-ray second harmonic generation

S Shwartz, M Fuchs, JB Hastings, Y Inubushi… - Physical review …, 2014 - APS
We report clear experimental evidence for second harmonic generation at hard x-ray
wavelengths. Using a 1.7 Å pum** beam generated by a free electron laser, we observe …

Femtosecond X-ray-induced explosion of C60 at extreme intensity

BF Murphy, T Osipov, Z Jurek, L Fang, SK Son… - Nature …, 2014 - nature.com
Understanding molecular femtosecond dynamics under intense X-ray exposure is critical to
progress in biomolecular imaging and matter under extreme conditions. Imaging viruses and …

Deep inner-shell multiphoton ionization by intense X-ray free-electron laser pulses

H Fukuzawa, SK Son, K Motomura, S Mondal… - Physical Review Letters, 2013 - APS
We have investigated multiphoton multiple ionization dynamics of xenon atoms using a new
x-ray<? format?> free-electron laser facility, SPring-8 Angstrom Compact free electron LAser …

Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole …

J Lee, DW Small, M Head-Gordon - The Journal of chemical physics, 2019 - pubs.aip.org
In this work, we revisited the idea of using the coupled-cluster (CC) ground state formalism
to target excited states. Our main focus was targeting doubly excited states and double core …

Stimulated X-ray emission for materials science

M Beye, S Schreck, F Sorgenfrei, C Trabant, N Pontius… - Nature, 2013 - nature.com
Resonant inelastic X-ray scattering and X-ray emission spectroscopy can be used to probe
the energy and dispersion of the elementary low-energy excitations that govern functionality …