Related papers: Efficient ab initio calculations of bound and cont…
We introduce a numerically exact and computationally feasible nonlinear-response theory developed for lossy superconducting quantum circuits based on a framework of quantum dissipation in a minimally extended state space. Starting from the…
We develop a first-principles approach to compute infrared (IR) vibrational absorption and Raman scattering spectra with excitonic effects included. Our method is based on a perturbative expansion of electron-phonon and electron-light…
Results from four different approximations to the phonon-assisted quantum adsorption rate for cold atoms on a 2D material are compared and contrasted: (1) a loop expansion (LE) based on the atom-phonon coupling, (2) non-crossing…
Solar oscillations can be modeled by Galbrun's equation which describes Lagrangian wave displacement in a self-gravitating stratified medium. For spherically symmetric backgrounds, we construct an algorithm to compute efficiently and…
We present a fully parameter-free density-functional approach for the accurate description of optical absorption spectra of insulators, semiconductors and metals. We show that this can be achieved within time-dependent…
A systematic method of calculating the dynamical conductivity tensor in a general multiband electronic model with strong boson-mediated electron-electron interactions is described. The theory is based on the exact semiclassical expression…
We derive semiclassical Boltzmann equations describing thermalization of an ensemble of excitons due to exciton-phonon interactions taking into account the fact that excitons are not ideal bosons but composite particles consisting of…
The frequency-dependent attenuation of broadband acoustics is often confronted in many different areas. However, the related time domain simulation is rarely found in literature due to enormous technical difficulty. The currently popular…
In this paper we study the question of effective field assignment to measured or nonperturbatively calculated spectral functions. The straightforward procedure is to approximate it by a sum of independent Breit-Wigner resonances, and assign…
In this paper, we consider band-structure calculations governed by the Helmholtz or Maxwell equations in piecewise homogeneous periodic materials. Methods based on boundary integral equations are natural in this context, since they…
Adapting Mourre's commutator method to the dissipative setting, we prove a limiting absorption principle for a class of abstract dissipative operators. A consequence is the resolvent estimates for the high frequency Helmholtz equation when…
Nonlinear electrical response permits a unique window into effects of band structure geometry. It can be calculated either starting from a Boltzmann approach for small frequencies, or using Kubo's formula for resonances at finite frequency.…
A robust and efficient frequency dependent and non-local exchange-correlation $f_{xc}(r,r';\omega)$ is derived by imposing time-dependent density-functional theory (TDDFT) to reproduce the many-body diagrammatic expansion of the…
We derive a numerical method, based on operator splitting, to abstract parabolic semilinear boundary coupled systems. The method decouples the linear components which describe the coupling and the dynamics in the bulk and on the surface,…
We investigate the exciton dynamics in an exactly solvable two-band model for semiconductors. The model incorporates light-matter, electron-electron and electron-phonon interactions, and captures exciton formation as well as the transition…
Time-resolved spectroscopy provides the main tool for analyzing the dynamics of excitonic energy transfer in light-harvesting complexes. To infer time-scales and effective coupling parameters from experimental data requires to develop…
The mobility of carriers, as limited by their scattering with phonons, can now routinely be obtained from first-principles electron-phonon coupling calculations. However, so far, most computations have relied on some form of simplification…
Shift current transient are obtained for near band gap excitation of bulk GaAs by numerical solutions of the semiconductor Bloch equations in a basis obtained from a 14 band k.p model of the band structure. This approach provides a…
We present first principles calculations of the two-particle excitation spectrum of CrI$_3$ using many-body perturbation theory including spin-orbit coupling. Specifically, we solve the Bethe-Salpeter equation, which is equivalent to…
Electron-phonon and exciton-phonon interactions in nanoclusters are formulated and computed under the framework of GW-BSE (Bethe-Salpeter equation) approach. The phonon effect is modeled with the two-particle representation for the first…