相关论文: Core-hole excitations using the projector augmente…
We present a new feasible way to flatten the axial intensity oscillations for diffraction of a finite-sized Bessel beam, through designing a cardioid-like hole. The boundary formula of the cardioid-like hole is given analytically. Numerical…
An essential ingredient of a spectral method is the choice of suitable bases for test and trial spaces. On complex domains, these bases are harder to devise, necessitating the use of domain partitioning techniques such as the spectral…
we identify the intrinsic bulk pairing symmetry for both electron and hole-doped cuprates from the existing bulk- and nearly bulk-sensitive experimental results such as magnetic penetration depth, Raman scattering, single-particle…
In recent years, charge-channel orders in strongly correlated metals have attracted great attention. Famous examples are the electronic nematic orders in cuprates and iron-based superconductors, and Star-of-David order in kagome metals.…
The excitation scheme is essential for single-photon sources, as it governs exciton preparation, decay dynamics, and the spectral diffusion of emitted photons. While phonon-assisted excitation has shown promise in other quantum emitter…
Using the simple (symmetric) Hubbard dimer, we analyze some important features of the $GW$ approximation. We show that the problem of the existence of multiple quasiparticle solutions in the (perturbative) one-shot $GW$ method and its…
We present an ab initio study of core excitations of solid-state materials focussing on the role of electron-hole correlation. In the framework of an all-electron implementation of many-body perturbation theory into the exciting code, we…
We study the optical absorption spectra of small Ag_n (n=2,4,6,8) clusters using the Bethe-Salpeter equation (BSE) formalism with a Hamiltonian built from GW quasiparticle energies. Calculations are based on an effective core potential…
This work provides a self-consistent extension of the recently proposed density-based basis-set correction method for wave-function electronic-structure calculations [J. Chem. Phys. 149, 194301 (2018)]. In contrast to the previously used…
Accretion at sustained or episodic super-Eddington (SE) rates has been proposed as a pathway to grow efficiently light seeds produced by Pop-III stars. We investigate if SE accretion can be sustained onto a black hole (BH) with $M_{\odot}…
We compute the electronic band structure and optical properties of boron arsenide using the relativistic quasiparticle self-consistent $GW$ approach, including electron-hole interactions through solution of the Bethe-Salpeter equation. We…
Using a recently developed impurity solver we exemplify how dynamical mean field theory captures band excitations, resonances, edge singularities and excitons in core level x-ray absorption (XAS) and core level photo electron spectroscopy…
Many-body Green's functions theory within the GW approximation and the Bethe-Salpeter Equation (BSE) is implemented in the open-source VOTCA-XTP software, aiming at the calculation of electronically excited states in complex molecular…
We study the combined impact of random disorder and electron-electron, and electron-hole interactions on the absorption spectra of a three-dimensional Hubbard Hamiltonian. We determine the single-particle Green's function within the typical…
We explore the superconducting properties of the bilayer Hubbard model, which exhibits a high transition temperature ($T_{\rm c}$) for an $s_{\pm}$ pairing, using a cluster extension of the dynamical mean-field theory. Unlike the…
Computing the $GW$ quasiparticle bandstructure and Bethe-Salpeter Equation (BSE) absorption spectra for materials with spin-orbit coupling has commonly been done by treating $GW$ corrections and spin-orbit coupling as separate perturbations…
In a standard semiconductor laser, electrons and holes recombine via stimulated emission to emit coherent light, in a process that is far from thermal equilibrium. Exciton-polariton condensates -- sharing the same basic device structure as…
Modern imaging systems typically use single-carrier short pulses for transducer excitation. Coded signals together with pulse compression are successfully used in radar and communication to increase the amount of transmitted energy.…
We present a time-dependent computational approach to study Auger electron spectroscopy (AES) beyond the ultra-short core-hole relaxation time approximation and, as a test case, we apply it to the paradigmatic example of a one-dimensional…
The attosecond, time-resolved X-ray double-quantum-coherence (XDQC) four wave mixing signals of formamide at the nitrogen and oxygen K-edges are simulated using restricted excitation window time-dependent density functional theory…