Related papers: X-ray absorption Debye-Waller factors from ab init…
We show that the method of calculations of the Debye-Waller factors for IC structures by J.D. Axe, Phys. Rev. (1971), B 21, 4181, is not applicable for such calculations. The set of variables, which should be used for such calculations, is…
A phenomenological model of X-ray variability of accreting black holes is considered, where the variable emission is attributed to multiple active regions/perturbations moving radially towards the central black hole. The hard X-rays are…
In photoacoustic imaging, ultrasound waves generated by a temperature rise after illumination of light absorbing structures are measured on the sample surface. These measurements are then used to reconstruct the optical absorption. We…
We study some quantum mechanical aspects of dynamical black holes where the Vaidya metric is used as a model representing evaporating black holes. It is shown that in this model the Wheeler-DeWitt equation is solvable in whole region of…
We consider the dynamics of Frenkel excitons on quasiperiodic lattices, focusing our attention on the Fibonacci case as a typical example. We evaluate the absorption spectrum by solving numerically the equation of motion of the…
Using supersymmetry calculations and random matrix simulations, we studied the decay of the average of the fidelity amplitude f_epsilon(tau)=<psi(0)| exp(2 pi i H_epsilon tau) exp(-2 pi i H_0 tau) |psi(0)>, where H_epsilon differs from H_0…
We develop the theory of dynamical superradiance -- the collective exchange of energy between an ensemble of initially excited emitters and a single-mode cavity -- for organic materials where electronic states are coupled to vibrational…
Further development of a previously introduced method for numerically simulating magnetic spin waves is presented. Together with significant improvements in speed, the method now allows one to calculate the energy absorbed by the various…
A complete kinetic modeling of an ionized gas in contact with a surface requires the knowledge of the electron desorption time and the electron sticking coefficient. We calculate the desorption time for phonon-mediated desorption of an…
Diffusive molecular dynamics is a novel model for materials with atomistic resolution that can reach diffusive time scales. The main ideas of diffusive molecular dynamics are to first minimize an approximate variational Gaussian free energy…
The influence of molecular vibrations on dissociative adsorption is studied by six-dimensional quantum dynamical calculations. For the system H_2 at Pd(100), which possesses non-activated pathways, it is shown that large vibrational effects…
In the Super-Transition-Array statistical method for the computation of radiative opacity of hot dense matter, the moments of the absorption or emission features involve partition functions with reduced degeneracies, occurring through the…
The transport equation of active motion is generalised to consider time-fractional dynamics for describing the anomalous diffusion of self-propelled particles observed in many different systems. In the present study, we consider an…
A vibrational model of transport properties of dense fluids assumes that solid-like oscillations of atoms around their temporary equilibrium positions dominate the dynamical picture. The temporary equilibrium positions of atoms do not form…
We derive large-amplitude collective equations of motion from the variational principle for the time-dependent Schroedinger equation. These equations reduce to the well-known diabatic formulas for vibrational frequencies in the small…
X-ray absorption and its dependence on the polarization of light is a powerful tool to investigate the orbital and spin moments of magnetic materials and their orientation relative to crystalline axes. Here, we present a program for the…
We have studied the Stark effect in the soft x-ray region for various small molecules by calculating the field-dependent x-ray absorption spectra. This effect is explained in terms of the response of molecular orbitals (core and valence),…
Vibrational entropy plays a central role in determining phase stability and temperature dependent behavior in materials, yet its calculation from first-principles phonon methods remains computationally demanding. In this work, we combine…
We consider for a monatomic liquid the density and current autocorrelation functions from the point of view of the Vibration-Transit (V-T) theory of liquid dynamics. We also consider their Fourier transforms, one of which is measured by…
In order to compare the x-wind with observations, one needs to be able to calculate its thermal and ionization properties. We formulate the physical basis for the streamline-by-streamline integration of the ionization and heat equations of…