Related papers: A new and efficient approach to time-dependent den…
Time-dependent density functional theory is widely used to describe excitations of many-fermion systems. In its many applications, 3D coordinate-space representation is used, and infinite-domain calculations are limited to a finite volume…
The optical properties of molecules close to plasmonic nanostructures greatly differ from their isolated molecule counterparts. To theoretically investigate such systems in a Quantum Chemistry perspective, one has to take into account that…
Nonlinearity in coherent fiber links is fundamentally driven by the temporal statistics and spectral structure of signal intensity. This paper develops a unified framework that links block-level energy statistics of shaped constellations to…
Boson peak dynamics in glasses produce a robust crossover in the terahertz (THz) dielectric response that standard Debye or Lorentz models do not capture. We develop a continuum description of this THz response, coupling an…
We present a new paradigm for the dynamical simulation of interacting many-boson open quantum systems. The method relies on a variational ansatz for the $n$-boson density matrix, in terms of a superposition of photon-added coherent states.…
Tracer-diffusion of small molecules through dense systems of chain polymers is studied within an athermal lattice model, where hard core interactions are taken into account by means of the site exclusion principle. An approximate mapping of…
We present a real-time propagation method for computing linear and nonlinear optical properties of molecules based on the Bethe-Salpeter equation. The method follows the time evolution of the one-particle density matrix under an external…
We extend the density functional perturbation theory formalism to the case of non-collinear magnetism. The main problem comes with the exchange-correlation (XC) potential derivatives, which are the only ones that are affected by the…
Here, we demonstrate the radiative polarization of high-energy electron beams in collisions with ultrashort pulsed bi-chromatic laser fields. Employing a Boltzmann kinetic approach for the electron distribution allows us to simulate the…
Optical tweezers setup is often used to probe the motion of individual tracer particle, which promotes the study of relaxation dynamics of a generic process confined in a harmonic potential. We uncover the dependence of ensemble- and…
In the new approach to study the optical response of periodic structures, successfully applied to study the optical properties of blue-emitting InGaN/GaN superlattices, the spontaneous charge polarization was neglected. To search the effect…
We investigate the accurate full broadband simulation of complex nonlinear optical processes. A mathematical model and numerical simulation techniques in the time domain are developed to simulate complex nonlinear optical processes without…
We present a time-dependent extension of logarithmic perturbation theory for nonrelativistic quantum dynamics governed by the Schr\"odinger equation, in which the logarithm of the wave function is expanded in powers of a coupling constant.…
We apply the quadrature-based perturbation method of Dalgarno and Lewis to the evaluation of the nonlinear optical response of quantum systems. This general operator method for perturbation theory allows us to derive exact expressions for…
The exact factorization of the time-dependent electron-nuclear wavefunction has been employed successfully in the field of quantum molecular dynamics simulations for interpreting and simulating light-induced ultrafast processes. In this…
Accurate determination of the complex effective permittivity is fundamental to optical material engineering, but it remains a critical metrology challenge for heterogeneous systems. In polymer blends and optical composites, scattering and…
We study the bispectrum in the Effective Field Theory of Large Scale Structure, consistently accounting for the effects of short-scale dynamics. We begin by proving that, as long as the theory is perturbative, it can be formulated to…
We develop a self-consistent first-principle method based on the density functional theory. Physical quantities, such as the density of states, Fermi energy and electron density are obtained using a time-dependent random state method…
We present a computationally tractable scheme of time-dependent transport phenomena within open-boundary time-dependent density-functional-theory. Within this approach all the response properties of a system are determined from the…
A novel covariant formalism for the treatment of the transfer and Compton scattering of partially polarized light is presented. This was initially developed to aid in the computation of relativistic corrections to the polarization generated…