Related papers: X-ray absorption branching ratio in actinides: LDA…
A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical…
Attosecond transient absorption spectroscopy (ATAS) is becoming an indispensable and powerful tool in the emerging field of attochemistry, while the interpretation of measurements often requires full considerations of the coupling among…
X-ray absorption near edge structure (XANES) spectroscopy is a powerful technique for characterizing the chemical state and symmetry of individual elements within materials, but requires collecting data at many energy points which can be…
Photoabsorption spectrum of the Xe@C$_{60}$ endohedral fullerene has been studied using the time-dependent-density-functional-theory (TDDFT), which represents the dynamical polarizability of an interacting electron system by an off-diagonal…
We study the electronic structure of Ta2NiSe5 in its low-temperature semiconducting phase, using resonant inelastic x-ray scattering (RIXS) at the Ta L3 edge. We also investigate the electronic properties of Ta2NiSe5 within the…
Time-dependent and constituent-specific spectral changes in soft near edge X-ray spectroscopy (XAS) of an [Fe/MgO]$_8$ metal/insulator heterostructure upon laser excitation are analyzed at the O K-edge with picosecond time resolution. The…
Damped Ly\alpha\ systems (DLAs) observed in the quasar spectra are characterized by a high neutral hydrogen column density $N_{HI}>2\times 10^{20}{\rm\ cm^{-2}}$. The absorption wing profiles are often fitted using the Voigt function due to…
We investigate the nature of the 5$f$ electrons in the unconventional odd-parity superconductor UTe$_2$, focusing on the degree of covalency, localization versus itinerancy, and dominant electronic configuration. This is achieved using…
X-ray absorption spectroscopy (XAS) is an explicit probe of the unoccupied electronic structure of materials and an invaluable tool for fingerprinting various electronic properties and phenomena. Computational methods capable of simulating…
Development of materials for electrochemical energy conversion requires a deep understanding of the factors governing chemical and physical rates at submicron length scales. Many workers have sought to develop chemically sensitive in situ…
In this work, we theoretically examine recent pump/probe photoemission experiments on the strongly correlated charge-density-wave insulator TaS\_2. We describe the general nonequilibrium many-body formulation of time-resolved photoemission…
Single-particle methods based on Kohn-Sham unoccupied states to describe near-edge X-ray absorption (XAS) spectra are routinely applied for the description of K-edge spectra, as there is no complication due to spin-orbit (SO) coupling. L-…
We use detailed Lyalpha radiative transfer calculations to further test the claim of Rauch et al. (2008) that they have detected spatially extended faint Lyalpha emission from the elusive host population of Damped Lyalpha Absorption systems…
The XLF of AGN offers a robust tool to study the evolution and the growth of SMBHs over cosmic time. Owing to the limited area probed by X-ray surveys, optical surveys are routinely used to probe the accretion in the high redshift Universe…
We have performed angle-resolved photoemission spectroscopy (ARPES) experiments on paramagnetic UFeGa5 using soft X-ray synchrotron radiation (hn=500eV) and derived the bulk- and U 5f-sensitive electronic structure of UFeGa5. Although the…
During recent years interest has been rising for applications of vector light beams towards magnetic field sensing. In particular, a series of experiments were performed to extract information about properties of static magnetic fields from…
As emphasized in a recent review article [Chem. Rev. 122, 14180 (2022)], organic solar cell (OSC) photoconversion efficiency has been rapidly evolving with results increasingly comparable to those of traditional inorganic solar cells.…
Motivated by a collection of experimental results indicating the strongly correlated nature of the ferromagnetic metallic state of $CrO_{2}$, we present results based on a combination of the actual bandstructure [3] with dynamical…
Chandra X-Ray Observatory (CXO) ACIS-S spectra of three quasars which lie behind three foreground damped Lyman alpha (DLA) absorbers are analyzed in order to attempt to determine the amount of photoelectric absorption due to metals present…
Fluid antenna systems (FAS) have emerged as a revolutionary technology offering enhanced spatial diversity within a compact form factor. Concurrently, unmanned aerial vehicles (UAVs) are integral to future networks, necessitating channel…