Related papers: Orbital breathing effects in the computation of x-…
The X-ray polarimetric observing window re-opening is shedding new light on our current understanding of compact accreting sources. This is true, in particular, for stellar-mass black hole sources observed in the thermally-dominated state,…
In the past decade, Resonant Inelastic X-ray Scattering (RIXS) has made remarkable progress as a spectroscopic technique. This is a direct result of the availability of high-brilliance synchrotron X-ray radiation sources and of advanced…
We present a detailed study of the observable effects of photoionization and Comptonization of line and continuum radiation from a cold accretion disk with a thin, warm, photoionized transition layer in the framework of self-consistent…
We studied the isotropic Compton profile of the prototypical oxide VO$_2$ across the temperature induced electronic and structural phase transition at T$_C$ $\approx$ 340 K. We show that the phase transition leaves an observable signal,…
We present angle-dependent, broad-band intensity spectra from accretion disks around black holes of 10 M$_\odot$. In our computations disks are assumed to be slim, which means that the radial advection is taken into account while computing…
We present a comprehensive analytical study of radiative transfer using the method of moments and include the effects of non-isotropic scattering in the coherent limit. Within this unified formalism, we derive the governing equations and…
A general set of methods is presented for calculating chemical potentials in solid and liquid mixtures using {\em ab initio} techniques based on density functional theory (DFT). The methods are designed to give an {\em ab initio} approach…
Short laser pulse in wide range of wavelengths, from infrared to X-ray, disturbs electron-ion equilibrium and rises pressure in a heated layer. The case where pulse duration $\tau_L$ is shorter than acoustic relaxation time $t_s$ is…
A prevailing description of the stripe phase in underdoped cuprate superconductors is that the charge carriers (holes) phase segregate on a microscopic scale into hole rich and hole poor regions. We report resonant elastic x-ray scattering…
We present the first-ever implementation and benchmark of periodic algebraic diagrammatic construction theory (ADC) for core-ionized states and X-ray photoelectron spectra (XPS) in crystalline materials. Using a triple-zeta Gaussian basis…
We show how the path-integral formulation of quantum statistical mechanics can be used to construct practical {\em ab initio} techniques for computing the chemical potential of molecules adsorbed on surfaces, with full inclusion of quantum…
First-principles calculations were used to compute the dielectric permittivities of hypothetical [La,Sc]2O3 solid solutions in the cubic (bixbyite) and hexagonal La2O3 phases. Dielectric enhancement is predicted at small Sc concentrations…
We calculate the $3s$- and $4s$-core-level x-ray photoemission spectroscopy (XPS) spectra in the ferromagnetic and nonmagnetic transition metals by developing an \emph{ab initio} method. We obtain the spectra exhibiting the characteristic…
A theoretical framework is presented for the computation of rovibrational polaritonic states of a molecule in a lossless infrared (IR) microcavity. In the proposed approach the quantum treatment of the rotational and vibrational motion of…
Established x-ray diffraction methods allow for high-resolution structure determination of crystals, crystallized protein structures or even single molecules. While these techniques rely on coherent scattering, incoherent processes like…
We theoretically investigate the generation of ultrafast currents in insulators induced by strong few-cycle laser pulses. Ab initio simulations based on time-dependent density functional theory give insight into the atomic-scale properties…
The adsorption of oxygen on the Ag(001) is investigated by means of density functional techniques. Starting from a characterization of the clean silver surfaces oxygen adsorption in several modifications (molecularly, on-surface,…
Resonant X-ray scattering (RXS) is a spectroscopy where both the power of site selective diffraction and the power of local absorption spectroscopy regarding atomic species are combined. By virtue of the dependence on the core level state…
Re-analysis of some archival X-ray data of black hole binaries in soft spectral states is presented. Results of detailed spectral fitting, including proper physical description of the X-ray reprocessed component, indicate that in most cases…
A scheme for analyzing Thomson scattering of x-rays by warm dense matter, based on the average-atom model, is developed. Emphasis is given to x-ray scattering by bound electrons. Contributions to the scattered x-ray spectrum from elastic…