Related papers: Time-resolved dynamical Franz-Keldysh effect under…
High-harmonic generation is a sensitive all-optical probe of symmetry and electron dynamics in solids. Here, we use first-principles time-dependent density functional theory (TDDFT) to study high-harmonic generation in T$_d$-WTe$_2$, a…
A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infinite periodic systems. The scalar-relativistic periodic…
We developed a method which performs the coupled adiabatic spin and lattice dynamics based on the tight-binding electronic structure model, where the intrinsic magnetic field and ionic forces are calculated from the converged…
A formulation for the efficient calculation of the electromagnetic retarded potential generated by time-dependent electron density in the context of real-time time dependent density functional theory (RT-TDDFT) is presented. The electron…
We propose a fully analytical method for describing high-order harmonic generation (HHG). This method is based on the strong-field approximation (SFA) and electron-trajectory theory, but utilizes the perturbation expansion on the Keldysh…
Time-harmonic solutions to the wave equation can be computed in the frequency or in the time domain. In the frequency domain, one solves a discretized Helmholtz equation, while in the time domain, the periodic solutions to a discretized…
Traditional analytical theories of celestial mechanics are not well-adapted when dealing with highly elliptical orbits. On the one hand, analytical solutions are quite generally expanded into power series of the eccentricity and so limited…
Analytical representations in the time and frequency domains are derived for the most frequently used phenomenological fit functions for non-Debye relaxation processes. In the time domain the relaxation functions corresponding to the…
Bethe-Salpeter equation (BSE) in the self-consistent Hartree-Fock (HF) basis is often used for describing complex many-body effects in material science applications. Its exact solution on the real-frequency axis at finite temperature for…
The simplest density functional theory due to Thomas, Fermi, Dirac and Weizsacker is employed to describe the non-equilibrium thermodynamic evolution of an electron gas. The temperature effect is introduced via the Fermi-Dirac entropy,…
We study a multi-determinant approach to the time evolution of the nuclear wave functions (TDMD). We employ the Dirac variational principle and use as anzatz for the nuclear wave-function a linear combination of Slater determinants and…
The glass transition temperature $T_{\rm g}$ and the temperature $T_{\alpha}$ corresponding to the peak in the dielectric loss due to the $\alpha$-process have been simultaneously determined as functions of film thickness d through…
An approximate solution to the time-dependent density functional theory (TDDFT) response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition…
The practical success of density functional theory (DFT) is largely credited to the Kohn-Sham approach, which enables the exact calculation of the non-interacting electron kinetic energy via an auxiliary noninteracting system. Yet, the…
A new Monte-Carlo algorithm for calculating time-dependent radiative-transfer under the assumption of LTE is presented. Unlike flux-limited diffusion the method is polychromatic, includes scattering, and is able to treat the optically thick…
Simulations in the warm dense matter regime using finite temperature Kohn-Sham density functional theory (FT-KS-DFT), while frequently used, are computationally expensive due to the partial occupation of a very large number of high-energy…
In this paper we deal with the macroscopic electromagnetic response of a finite size dispersive dielectric object, in unbounded space, in the framework of quantum electrodynamics using the Heisenberg picture. We apply a Hopfield type scheme…
The electron dynamics in the ultra-high intensity laser pulse with radiation friction force in theLandau-Lifshitz form are studied. It is demonstrated that widely used approximation, where onlythe term dominating the dissipation of electron…
This paper develops solutions of fractional Fokker-Planck equations describing subdiffusion of probability densities of stochastic dynamical systems driven by non-Gaussian L\'evy processes, with space-time-dependent drift, diffusion and…
The statistical theory of the dipole flexoelectric (FE) polarization in liquid crystals is used to calculate the temperature dependence of order parameters, the elastic constants and the FE coefficients. Two systems with polar wedge-shaped…