Related papers: Real-space Green's function approach for x-ray spe…
We study the spectral densities of (pseudo)scalar currents at finite temperature in general case when mass of two quarks are different. Such spectral densities are necessary for the phenomenological investigation of hadronic parameters. We…
X-ray absorption spectroscopy (XAS) is a powerful and well established technique with sensitivity to elemental and chemical composition. Despite these advantages, its implementation has not kept pace with the development of ultrafast pulsed…
X-ray absorption spectroscopy (XAS) is a powerful experimental technique to probe the local order in materials with core electron excitations. Experimental interpretation requires supporting theoretical calculations. For water, these…
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…
By including phonon-assisted transitions within plane-wave DFT methods for calculating the X-ray absorption spectrum (XAS) we obtain the Al K-edge XAS at 300 K for two Al$_2$O$_3$ phases. The 300 K XAS reproduces the pre-edge peak for…
The Parkes Half-Jansky Flat Spectrum Sample contains a large number of sources with unusually red optical-to-near-infrared continua. If this is to be interpreted as extinction by dust in the line-of-sight, then associated material might…
Closed expressions are derived for resonant multidimensional X-ray spectroscopy using the quasiparticle nonlinear exciton representation of optical response. This formalism is applied to predict coherent four wave mixing signals which probe…
Several past studies have described how absorption spectroscopy can be used to determine spatial temperature variations along the optical path by measuring the unique, nonlinear response to temperature of many molecular absorption…
Inelastic losses in core level x-ray spectra arise from many-body excitations, leading to broadening and damping as well as satellite peaks in x-ray photoemission (XPS) and x-ray absorption (XAS) spectra. Here we present a practical…
We study 3-point functions at finite temperature in the closed time path formalism. We give a general decomposition of the eight component tensor in terms of seven vertex functions. We derive a spectral representation for these seven…
We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…
We present an efficient implementation of a surface Green's-function method for atomistic modeling of surfaces within the framework of density functional theory using a pseudopotential localized basis set approach. In this method, the…
A number of emission and absorption features are expected to be visible in high energy resolution X-ray spectra of type 1 AGN with ionized gas along the line of sight (so called "warm absorbers"). Emission strongly depends on the…
We present an experimental set-up developed to perform optical spectroscopy experiments (Raman scattering and photoluminescence measurements) with a micrometer spatial resolution, in an extreme environment of low temperature, high magnetic…
Resonant inelastic X-ray scattering (RIXS) is a promising technique for obtaining electron-phonon coupling constants. However, the ability to extract these coupling constants throughout the Brillouin zone for crystalline materials remains…
The theoretical calculation of the interaction of electromagnetic radiation with matter remains a challenging problem for contemporary $ab$ $initio$ electronic structure methods, in particular for x-ray spectroscopies. This is not only due…
We present a viable method to obtain real-time quantities such as spectral functions or transport coefficients at finite temperature and density within a non-perturbative Functional Renormalization Group approach. Our method is based on a…
Widely employed Near-Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy probes a system by excitation of core electrons to unoccupied states. A variety of different methodologies are available to simulate corresponding spectra from…
Despite temperature rise being a first-order design constraint, traditional thermal estimation techniques have severe limitations in modeling critical aspects affecting the temperature in modern-day chips. Existing thermal modeling…
We present a finite-temperature extension of the retarded cumulant Green's function for calculations of exited-state and thermodynamic properties of electronic systems. The method incorporates a cumulant to leading order in the screened…