Related papers: Ab-initio calculation of phonon dispersion curves:…
We develop a numerical Brillouin-zone integration scheme for real-time propagation of electronic systems with time-dependent density functional theory. This scheme is based on the decomposition of a large simulation into a set of small…
We calculate the spectrum of gluons sourced by the branching of an energetic quark in the presence of an inhomogeneous QCD medium, focusing on the soft radiation limit. We take into account multiple soft interactions between the partons and…
The method of QCD sum rules has proven to be particularly useful in heavy quark physics, where a small distance scale is provided by the inverse heavy quark mass. We present two new examples for the application of this method to B-physics:…
Nuclear resonant inelastic x-ray scattering on quartz structured 57FePO4 as a function of pressure, up to 8 GPa reveals hardening of the low-energy phonons under applied pressures up to 1.5 GPa, followed by a large softening at 1.8 GPa upon…
Phonon energies at finite temperatures shift away from their harmonic values due to anharmonicity. In this paper, we have realized the rigorous calculation of phonon energy shifts of silicon by three and four-phonon scattering from first…
Through the use of perturbation theory, in this work we develop a method which allows for a substantial reduction in the size of the plane-wave basis used in density-functional calculations. This method may be used for both pseudopotentials…
We compute perturbative corrections to $B \to \pi$ form factors from QCD light-cone sum rules with $B$-meson distribution amplitudes. Applying the method of regions we demonstrate factorization of the vacuum-to-$B$-meson correlation…
Employing the standard hard-scattering approach and the running coupling method we calculate a class of power-suppressed corrections $\sim 1/Q^{2n},n=1,2,3,...$ to the electromagnetic $\pi^0\gamma$ transition form factor (FF)…
In order to arrive at ultimately accurate results available with the LMTO method in the local density approximation, the stability of full-potential LMTO predictions for off-center displacements in KNbO3, as depending on the choice of basis…
We have used ab-initio density functional theory technique to understand the phase transitions and structural changes in various high temperature/pressure phases of LiAlO2. The electronic band structure as well as phonon spectra are…
We present a quantitative analysis of the electromagnetic pion form factor in the light-cone sum rule approach, including radiative corrections and higher-twist effects. The comparison to the existing data favors the asymptotic profile of…
A quantum theory of dispersion for an inhomogeneous solid is obtained, from a starting point of multipolar coupled atoms interacting with an electromagnetic field. The dispersion relations obtained are equivalent to the standard classical…
The lattice dynamics of Cu3Au, Ni70Pt30, Pd90Fe10, and Pd96Fe04 intermetallic is studied using the DFT calculations. We calculated the phonon dispersions and phonon densities of states along two high symmetry paths of the Brillouin zone by…
The accurate computation of forces and other energy derivatives has been a long-standing challenge for quantum Monte Carlo methods. A number of technical obstacles contribute to this challenge. We discuss how these obstacles can be removed…
We derive expressions for the intensity of the Brillouin polarized spectrum of a molecular liquid formed of axially symmetric molecules. These expressions take into account both the molecular dielectric anisotropy and the modulation of the…
Plasma-based parametric amplification using stimulated Brillouin scattering offers a route to coherent x-ray pulses orders-of-magnitude more intense than those of the brightest available sources. Brillouin amplification permits…
A new method for calculation of band structure has been proposed based on the Green's function theory and local sampling. Potential energy in the Hamiltonian of Schrodinger's equation is approximated with a series of sampled Dirac delta…
We consider the existence of plasmons in a non-equilibrium situation where electrons from the valence band of graphene are pumped to states in the Brillouin zone around the $\mathbf{M}$-point by a high intensity UV electromagnetic field.…
Recent advances in ultrashort laser pulse techniques have opened up a wide variety of applications in both fundamental physics and industrial fields. In this work, $ab$ $initio$ molecular dynamics simulations based on time-dependent density…
We demonstrate how supercell implementations of conventional lattice dynamical calculations can be used to determine the extent and nature of disorder-induced broadening in the phonon dispersion spectrum of disordered crystalline materials.…