Related papers: Competition between decay and dissociation of core…
Resonant x-ray scattering shows that the bulk structure of the twist-bend liquid crystal phase, recently discovered in bent molecular dimers, has spatial periodicity without electron density modulation, indicating a lattice-free heliconical…
Experimental cross sections for m-fold photodetachment (m=2-5) of oxygen anions via K-shell excitation and ionization were measured in the photon-energy range of 525-1500 eV using the photon-ion merged-beams technique at a synchrotron light…
Core-level spectra of liquids can be difficult to interpret due to the presence of a range of local environments. We present computational methods for investigating core-level spectra based on the idea that both local structural parameters…
The structural, magnetic and electronic properties of transition metal oxides reflect in atomic charge, spin and orbital degrees of freedom. Resonant x-ray scattering (RXS) allows us to perform an accurate investigation of all these…
We study the scattering of infrared light by small dielectric core-shell particles taking a sapphire sphere with a CaO core as an example. The extinction efficiency of such a particle shows two intense series of resonances attached,…
In this work, we report X-ray photoelectron (XPS) and valence band (VB) spectroscopy measurements of surfactant-free silver nanoparticles and silver/linear carbon chains (Ag@LCC) structures prepared by pulse laser ablation (PLA) in water.…
The electronic structure of CoO is studied by resonant inelastic soft X-ray scattering spectroscopy using photon energies across the Co 2p absorption edges. The different spectral contributions from the energy-loss structures are identified…
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…
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…
We present an ab initio study of neutral core and valence electronic excitations in {\alpha}-Al2O3 by solving the Bethe-Salpeter equation (BSE) of many-body perturbation theory within an all-electron framework. Calculated spectra at the Al…
We study the breakup of $\text{H}_2^+$ exposed to super-intense, femtosecond laser pulses with frequencies greater than that corresponding to the ionization potential. By solving the time-dependent Schr\"odinger equation in an extensive…
The experimental characterization of scattering resonances in low energy collisions has proven to be a stringent test for quantum chemistry calculations. Previous measurements on the NO-H$_2$ system at energies down to $10$ cm$^{-1}$…
Soft x-ray resonant scattering has been used to examine the charge and magnetic interactions in the cycloidal antiferromagnetic compound \dyfeal. By tuning to the Dy $M_4$ and $M_5$ absorption edges and the Fe L(2) and L(3) absorption edges…
Synchrotron X-ray diffraction experiments and molecular dynamics simulations have been performed on simple aliphatic aldehydes, from propanal to nonanal. The performance of the OPLS all-atom interaction potential model for aldehydes has…
We present the first optical images of scattered light from large, detached gas/dust shells around two carbon stars, R Scl and U Ant, obtained in narrow band filters centred on the resonance lines of neutral K and Na, and in a Str. b filter…
X-ray emissions from cometary atmospheres were modeled from first principles using the charge-exchange interaction with solar wind ions as well as coherent scattering of solar X-rays from dust and ice grains. Scattering cross-sections were…
The most important processes for the creation of S12+ to S14+ ions excited states from the ground configurations of S9+ to S14+ ions in an electron cyclotron resonance ion source, leading to the emission of K X-ray lines, are studied.…
By simulating the dissociation of O2 molecules on the Be(0001) surface using the first-principles molecular dynamics approach, we propose a new atomistic model for the surface oxidation of sp metals. In our model, only the dissociation of…
In existing theoretical approaches to core-level excitations of transition-metal ions in solids relaxation and polarization effects due to the inner core hole are often ignored or described phenomenologically. Here we set up an ab initio…
Soft X-ray resonant scattering studies at the Mn $L_{\texttt{II, III}}$- and the La $M_{\texttt{IV, V}}$- edges of single-crystal LaSr$_2$Mn$_2$O$_7$ are reported. At low temperatures, below $T_\texttt{N} \approx 160$ K, energy scans with a…