Related papers: X-ray absorption branching ratio in actinides: LDA…
Research on actinide materials, both basic and applied, has been greatly advanced by the general techniques available from high-intensity photon beams from x-ray synchrotron sources. The most important single reason is that such x-ray…
Irreversible adsorption of objects of different shapes and sizes on Euclidean, fractal and random lattices is studied. The adsorption process is modeled by using random sequential adsorption (RSA) algorithm. Objects are adsorbed on one-,…
The presence of dust in starburst galaxies complicates the study of their stellar populations as the dust's effects are similar to those associated with changes in the galaxies' stellar age and metallicity. This degeneracy can be overcome…
Hard X-ray surveys like those provided by IBIS and BAT on board the INTEGRAL and Swift satellites list a significant number of sources which are unidentified and/or unclassified and which deserve multiwaveband observations to be properly…
X-ray absorption spectroscopy (XAS) is a powerful characterization technique for probing the local chemical environment of absorbing atoms. However, analyzing XAS data presents significant challenges, often requiring extensive,…
A complete understanding of a material requires both knowledge of the excited states as well as of the ground state. In particular, the low energy excitations are of utmost importance while studying the electronic, magnetic, dynamical, and…
The photon avalanche (PA) process that emerges in lanthanide-doped crystals yields a threshold and highly nonlinear (of the power law order > 5) optical response to photoexcitation. PA emission is the outcome of excited-state absorption…
We present the XMM-Newton spectra of three low-redshift intermediate Seyferts (one Sy1.5, and two Sy1.8), from our survey of hard spectrum Rosat sources. The three AGN are well fitted by absorbed powerlaws, with intrinsic nuclear…
We present broadband properties of sources in the Chandra Deep Field-North with spectroscopic redshifts. The high luminosity and redshift bins are dominated by typical quasars. The intermediate redshift (z = 0.7-1.5) and luminosity ranges…
We present a relativistic time-dependent density functional theory (TDDFT) approach for the simulation of resonant inelastic X-ray scattering (RIXS) spectra, based on both a full four-component (4c) Dirac-Coulomb Hamiltonian and a modern…
We demonstrate that the lyman alpha forest flux power spectrum of ``randomised'' QSO absorption spectra is comparable in shape and amplitude to the flux power spectrum of the original observed spectra. In the randomised spectra a random…
AXIS (An XMM-Newton International Survey) is a survey of 36 high Galactic latitude XMM-Newton observations covering 4.8 deg2 and containing 1433 serendipitous X-ray sources detected with 5-sigma significance. We have studied the X-ray…
A new method for calculating optical absorption spectra within linear-scaling density-functional theory (LS-DFT) is presented, incorporating a scheme for optimizing a set of localized orbitals to accurately represent unoccupied Kohn-Sham…
Femtosecond high-order harmonic transient absorption spectroscopy is used to resolve the complete |j,m> quantum state distribution of Xe+ produced by optical strong-field ionization of Xe atoms at 800nm. Probing at the Xe N_4/5 edge yields…
The real-space multiple-scattering (RSMS) approach is applied to model non-resonant inelastic scattering from deep core electron levels over a broad energy spectrum. This approach is applicable to aperiodic or periodic systems alike and…
Photoionization dynamics of the RNA base Uracil is studied in the framework of Density Functional Theory (DFT). The photoionization calculations take advantage of a newly developed parallel version of a multicentric approach to the…
Strong constraints on possible variations in fundamental constants can be derived from HI 21-cm and molecular rotational absorption lines observed towards quasars. With the aim of forming a statistical sample of constraints we have begun a…
Using a recently developed impurity solver we exemplify how dynamical mean field theory captures band excitations, resonances, edge singularities and excitons in core level x-ray absorption (XAS) and core level photo electron spectroscopy…
Two-dimensional (2D) materials have received considerable attention as possible electrodes in Li-ion batteries (LIBs), although a deeper understanding of the Li adsorption behavior as well as broad screening of the materials space is still…
Li-ion battery (LIB) research has continuing importance for the entire range of applications from consumer products to vehicle electrification and grid stabilization. In many cases, standard electrochemical methods only provide an overall…