Related papers: Application of time-dependent density functional t…
Circular dichroism is the differential rate of absorption of right- and left-handed circularly polarized light by chiral particles. Optical vortices which convey orbital angular momentum (OAM) possess a chirality associated with the…
Photoabsorption spectrum of the Xe@C$_{60}$ endohedral fullerene has been studied using the time-dependent-density-functional-theory (TDDFT), which represents the dynamical polarizability of an interacting electron system by an off-diagonal…
We present a comprehensive theoretical description for an irradiation of an ultrashort light pulse normally on thin materials based on first-principles time-dependent density functional theory. As the most elaborate scheme, we develop a…
The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…
Exploring the photoinduced dynamics of chiral states offers promising avenues for advanced control of condensed matter systems. Photoinduced or photoenhanced chirality in 1T-TiSe$_{2}$ has been suggested as a fascinating platform for…
We present an accurate and computationally efficient first-principles methodology to calculate the natural optical activity. Our approach is based on the long-wave density-functional perturbation theory and includes self-consistent field…
We illustrate the scope of Time Dependent Density Functional Theory (TDDFT) for strongly correlated (lattice) models out of equilibrium. Using the exact many body time evolution, we reverse engineer the exact exchange correlation (xc)…
In crystals with broken time-reversal symmetry, zone-center phonons can acquire a finite angular momentum via velocity-dependent forces on the nuclei. Despite having the same order of magnitude as the electron spin angular momentum, the…
We present a systematic study of the photo-absorption spectra of various Si$_{n}$H$_{m}$ clusters (n=1-10, m=1-14) using the time-dependent density functional theory (TDDFT). The method uses a real-time, real-space implementation of TDDFT…
We formulate a microscopic optical potential from chiral two- and three-body forces. The real and imaginary central terms of the optical potential are obtained from the nucleon self-energy in infinite matter, while the real spin-orbit term…
The optical spectra of two-dimensional (2D) periodic systems provide a challenge for time-dependent density-functional theory (TDDFT) because of the large excitonic effects in these materials. In this work we explore how accurately these…
Using time-dependent current-density functional theory, we derive analytically the dynamical exchange-correlation correction to the DC conductance of nanoscale junctions. The correction pertains to the conductance calculated in the…
This chapter is devoted to exact conditions in time-dependent density functional theory. Many conditions have been derived for the exact ground-state density functional, and several have played crucial roles in the construction of popular…
We formulate a time-dependent density functional theory (TDDFT) in terms of the density matrix to study ultrafast phenomena in semiconductor structures. A system of equations for the density matrix components, which is equivalent to the…
It has long been understood that dilute samples of chiral molecules such as rarefied gases should exhibit Rayleigh optical activity. We extend the existing theory by accounting for molecular dynamics and correlations, thus obtaining a more…
Excitonic effects in the optical absorption spectra of solids can be described with time-dependent density-functional theory (TDDFT) in the linear-response regime, using a simple class of approximate, long-range corrected (LRC)…
We discuss issues related to pairing dynamics in nuclear large amplitude collective motion. The examples of effects which are not properly described within BCS theory are presented. In the second part we review properties of TDDFT and in…
To optimize the interaction between chiral matter and highly twisted light, quantities that can help characterize chiral electromagnetic fields near nanostructures are needed. Here, by analogy with Poynting's theorem, we formulate the…
The time-dependent optical properties of microalgae are crucial for light transfer in photobioreactor (PBR) designs. Here, the time-dependent optical properties were derived using electromagnetic scattering theory informed by the…
When microspheres are illuminated by tightly focused vortex beams, they can be trapped in a non-equilibrium steady state where they orbit around the optical axis. By using the Mie-Debye theory for optical tweezers, we demonstrate that the…