Related papers: X-ray absorption Debye-Waller factors from ab init…
Increasing power densities in integrated circuits has led to an increased prevalence of thermal hotspots in integrated circuits. Tracking these thermal hotspots is imperative to prevent circuit failures. In 3D integrated circuits,…
Absorption yields an additional exponential decay in open quantum systems which can be described by shifting the (scattering) energy E along the imaginary axis, E+i\hbar/2\tau_{a}. Using the random matrix approach, we calculate analytically…
The adsorption structure of the molecular switch azobenzene on Ag(111) is investigated by a combination of normal incidence x-ray standing waves and dispersion-corrected density functional theory. The inclusion of non-local collective…
Many molecules observed in the interstellar medium are thought to result from thermal desorption of ices. Parameters such as desorption energy and pre-exponential frequency factor are essential to describe the desorption of molecules.…
We provide a theoretical foundation for the statistical approach for computing the absorption properties of particles in the Rayleigh domain. We present a general method based on the Discrete Dipole Approximation (DDA) to compute the…
Applied magnetic fields can couple to atomic displacements via generalized Lorentz forces, which are commonly expressed as gyromagnetic $g$ factors. We develop an efficient first-principles methodology based on density-functional…
Matter-wave interferometry is a highly sensitive tool to measure small perturbations in a quantum system. This property allows the creation of precision sensors for dephasing mechanisms such as mechanical vibrations. They are a challenge…
The first objective of this work is to obtain practical prescriptions to calculate the absorption of mass and angular momentum by a black hole when external processes produce gravitational radiation. These prescriptions are formulated in…
A rigorous homogenization theory is derived to describe the effective admittivity of cell suspensions. A new formula is reported for dilute cases that gives the frequency-dependent effective admittivity with respect to the membrane…
Analysis of extended X-ray absorption fine structure (EXAFS) data by the use of sparse modeling is presented. We consider the two-body term in the n-body expansion of the EXAFS signal to implement the method, together with calculations of…
This paper introduces an axiomatic basis for measuring the energy characteristic of vibrating dynamical systems. The basic approach is to compare non-modulated vs. modulated waveforms in measuring energy during the vibratory motion $m(t)$…
The Frenkel exciton model was adapted to describe X-ray absorption and resonant inelastic scattering spectra of polynuclear transition metal complexes by means of restricted active space self-consistent field method. The proposed approach…
The temperature dependence of the ultrasound wave absorption in bulk $p$-Cd$_{0.2}$Hg$_{0.8}$Te crystals free from low-angle grain boundaries has been studied experimentally for the first time in the frequency range 10--55 MHz and the…
Free-Free Gaunt factors for X-ray absorption by hot plasma in the presence of a strong magnetic field are reported. Modified formulae are used for application to the non-local thermodynamic equilibrium conditions found in accreting pulsar…
Excitons, namely neutral excitations in a system of electrons arising from the electron-hole interaction, are often essential to explain optical measurements in materials. They are governed by the Bethe-Salpeter equation, which can be cast…
A separable $x-y$ model is solved for a specialized vector potential (no magnetic and weak electric fields) penetrating slowly\textbf{,} adiabatically into and across a rectangular box to which an electron is confined. The time-dependent…
We measure molecular vibrations with femtometer precision using time-resolved x-ray absorption spectroscopy. For a demonstration, a Raman process excites the A$_{1g}$ mode in gas-phase SF$_6$ molecules with an amplitude of $\approx50$ fm,…
We develop a first-principles theory of phonon-assisted optical absorption in semiconductors and insulators which incorporates the temperature dependence of the electronic structure. We show that the Hall-Bardeen-Blatt theory of indirect…
The x-ray absorption spectra of water and ice are calculated with a many-body approach for electron-hole excitations. The experimental features, including the small effects of temperature change in the liquid, are quantitatively reproduced…
The molecular dynamics method is used to study the process of development of dynamic instability of a thin film, leading to its destruction. The calculations are performed for a thin (5 atomic layers) $fcc$ aluminum film using the…