Related papers: Solving the Bethe-Salpeter Equation on a Subspace:…
We present a computational approach for exciton calculations in two-dimensional (2D) materials within the Bethe-Salpeter equation (BSE) framework, employing an atomistic description with point-like orbitals. Unlike widespread efficient…
Excitonic effects in optical spectra and electron-hole pair excitations are described by solutions of the Bethe-Salpeter equation (BSE) that accounts for the Coulomb interaction of excited electron-hole pairs. Although for the computation…
We present a method to compute optical spectra and exciton binding energies of molecules and solids based on the solution of the Bethe-Salpeter equation (BSE) and the calculation of the screened Coulomb interaction in finite field. The…
The Bethe-Salpeter Equation (BSE) can be applied to compute from first-principles optical spectra that include the effects of screened electron-hole interactions. As input, BSE calculations require single-particle states, quasiparticle…
Excitons in atomically-thin semiconductors necessarily lie close to a surface, and therefore their properties are expected to be strongly influenced by the surrounding dielectric environment. However, systematic studies exploring this role…
The lowest electronic excitations of benzene and a set of donor-acceptor molecular complexes are calculated for the gas phase and on the Al(111) surface using the many-body Bethe-Salpeter equation (BSE). The energy of the charge-transfer…
Protein electrostatics tune excitation energies in the Photosystem II reaction center (PSII-RC), yet a fully quantum-mechanical many-body description of how the surrounding protein environment renormalizes excitons has remained…
Monolayer semiconductors, given their thickness at the atomic scale, present unique electrostatic environments due to the sharp interfaces between the semiconductor film and surrounding materials. These interfaces significantly impact both…
Solving the Bethe-Salpeter equation (BSE) for the optical polarization functions is a first principles means to model optical properties of materials including excitonic effects. One almost ubiquitously used approximation neglects the…
The problem of calculating of the mass spectrum of the two-body Bethe-Salpeter equation is studied with no reduction to the three-dimensional ("quasipotential") equation. The method to find the ground state and excited states for a channel…
Excitonic effects in metals are commonly supposed to be weak, because the Coulomb interaction is strongly screened. We investigate the low-density regime of the homogeneous electron gas, where low-energy collective excitations and ghost…
In this work, we present a comprehensive theoretical and computational investigation of exciton fine structures of WSe$_2$-monolayers, one of the best known two-dimensional (2D) transition-metal dichalcogenides (TMD's), in various…
The optical response of quasi-one-dimensional systems is often dominated by tightly bound excitons, that significantly influence their basic electronic properties. Despite their importance for device performance, accurately predicting their…
We present a new method to solve the dynamical Bethe-Salpeter Equation numerically. The method allows one to investigate the effects of dynamical dielectric screening on the spectral position of excitons in transition-metal dichalcogenide…
The bound electron-hole pairs known as excitons govern the optical properties of insulating solids. While their behavior in equilibrium is well-understood theoretically, the nonequilibrium regime at high excitation densities-where phenomena…
Low-dimensional materials differ from their bulk counterpart in many respects. In particular, the screening of the Coulomb interaction is strongly reduced, which can have important consequences such as the significant increase of exciton…
Binding energy calculation in two-dimensional (2D) materials is crucial in determining their electronic and optical properties pertaining to enhanced Coulomb interactions between charge carriers due to quantum confinement and reduced…
The quest for exotic quantum magnetic ground states, including the Kitaev spin liquid and quantum spin-ices, has led to the discovery of several quantum materials where low energy pseudospin-$1/2$ doublets arise from the splitting of…
Binding energies calculated from using the Bethe-Salpeter equation in the simplest ladder approximation significantly differ from those obtained in the non-relativistic standard instantaneous approximation. While they should a priori be…
The Bethe-Salpeter equation (BSE) is the key equation in many-body perturbation theory based on Green's functions to access response properties. Within the $GW$ approximation to the exchange-correlation kernel, the BSE has been successfully…