Related papers: Efficient computation of optical excitations in tw…
Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…
The nonlocal correlation mechanism between excitonic pairs is considered for a two dimensional exciton system. On the base of the unitary decomposition of the usual electron operator, we include the electron phase degrees of freedom into…
A time-dependent formulation for electron-hole excitations in extended finite systems, based on the Bethe-Salpeter equation (BSE), is developed using a stochastic wave function approach. The time-dependent formulation builds on the…
Optical responses in an excitonic insulating (EI) system with strong electron correlation are studied. We adopt the two-orbital Hubbard model with a finite energy difference between the two orbitals where the spin state degree of freedom…
Electronic excitations and optical spectra of $CdF_{2}$ are calculated up to ultraviolet employing state-of-the-art techniques based on density functional theory and many-body perturbation theory. The GW scheme proposed by Hedin has been…
We present a fragment-based framework for analyzing exciton couplings within the $GW$-Bethe-Salpeter Equation formalism using localized molecular orbitals, and assess how excitonic states in molecular dimers can be decomposed into local and…
The solution of the Bethe-Salpeter equation within the framework of many-body perturbation theory has turned out to be a benchmark for ab-initio calculations of optical properties of semiconductors and insulators. Commonly, however, the…
We present ab-initio calculations of the excited state properties of liquid water in the framework of Many-Body Green's function formalism. Snapshots taken from molecular dynamics simulations are used as input geometries to calculate…
Within the well-established optical response function formalism, a new strategy with the central idea of employing the forward-backward stochastic Schr\"{o}dinger equations in a segmented way to accurately obtain the two-dimensional (2D)…
We present a high order perturbation approach to quantitatively calculate spectral densities in three distinct steps starting from the model Hamiltonian and the observables of interest. The approach is based on the perturbative continuous…
In this expository article, we present a systematic formal derivation of the Kubo formula for the linear-response current due to a time-harmonic electric field applied to non-interacting, spinless charged particles in a finite volume in the…
We calculate the nonequilibrium conductance of a system of two capacitively coupled quantum dots, each one connected to its own pair of conducting leads. The system has been used recently to perform pseudospin spectroscopy by controlling…
In this paper, we propose an efficient exponential integrator finite element method for solving a class of semilinear parabolic equations in rectangular domains. The proposed method first performs the spatial discretization of the model…
We have realized a quantum optics like Hanbury Brown and Twiss (HBT) experiment by partitioning, on an electronic beam-splitter, single elementary electronic excitations produced one by one by an on-demand emitter. We show that the…
We present converged ab-initio calculations of the optical absorption spectra of single-layer, bi-layer, and bulk MoS$_2$. Both the quasiparticle-energy calculations (on the level of the GW approximation) and the calculation of the…
This review aims to introduce the x-ray emission spectroscopy (XES) and resonant inelastic x-ray scattering (RIXS) techniques to the materials scientist working with magnetic semiconductors (e.g. semiconductors doped with 3d transition…
The Shubnikov - de Haas effect in quasi-two-dimensional normal metals is studied. The interlayer conductivity is calculated using the Kubo formula. The electron scattering on short-range is considered in the self-consistent Born…
The Bethe-Salpeter equation (BSE) combined with the Green's function GW method has successfully transformed into a robust computational tool to describe light-matter interactions and excitation spectra for molecules, solids, and materials…
Excitons govern the light-matter interaction in 2D gapped materials with intrinsically large binding energies. In spite of plentiful optical measurements in the visible for semiconducting transition-metal dichalcogenides, we still lack…
We propose a scheme for calculation of optical functions of a semiconductor with Rydberg excitons, for a wide interval of dimensions. We start with 2-dimensional structure, then going to thin films and ending on 3-dimensional bulk crystals.…