相关论文: Efficient full frequency GW for metals using a mul…

We present a detailed appraisal of the optical and plasmonic properties of ordered alloys of the form Au$_{x}$Ag$_{y}$Cu$_{1-x-y}$, as predicted by means of first-principles many-body perturbation theory augmented by a semi-empirical…

The $GW$ approach of many-body perturbation theory (MBPT) has become a common tool for calculating the electronic structure of materials. However, with increasing number of published results, discrepancies between the values obtained by…

Double excitations are crucial to understanding numerous chemical, physical, and biological processes, but accurately predicting them remains a challenge. In this work, we explore the particle-particle random phase approximation (ppRPA) as…

Pre-plasma conditions strongly influence laser-plasma interactions in the multi-petawatt (MPW) regime, increasing the need for reliable early-time plasma evolution diagnostics. Among available pre-plasma diagnostics, interferometry remains…

The physics of electronic energy level alignment at interfaces formed between molecules and metals can in general be accurately captured by the \emph{ab initio} $GW$ approach. However, the computational cost of such $GW$ calculations for…

The random phase approximation (RPA) as formulated as an orbital-dependent, fifth-rung functional within the density functional theory (DFT) framework offers a promising approach for calculating the ground-state energies and the derived…

For materials which are incorrectly predicted by density functional theory to be metallic, an iterative procedure must be adopted in order to perform GW calculations. In this paper we test two iterative schemes based on the quasi-particle…

The $GW$ method for calculating quasi-particle energies of solids commonly begin from a DFT Hamiltonian and Kohn-Sham orbitals in a plane wave basis. Screening of the coulomb interaction is implemented using the inverse dielectric function…

We present techniques developed to calibrate and correct Murchison Widefield Array (MWA) low frequency (72-300 MHz) radio observations for polarimetry. The extremely wide field-of-view, excellent instantaneous (u, v)-coverage and…

Magnetic- and electric-dipole two-photon absorption (MED-TPA), recently introduced as a new spectroscopic technique for studying transitions between states of opposite parities, is investigated from a theoretical point of view. A new…

A closed-form thermodynamic pole approach,TPA, is developed for average description of the E1 radiative strength functions using the microcanonical ensemble for initial states. A semiclassical description of the collective excitation…

We present an implementation of the GW approximation for the electronic self-energy within the full-potential linearized augmented-plane-wave (FLAPW) method. The algorithm uses an all-electron mixed product basis for the representation of…

In this paper, we present an approximate expression for determining the effective permittivity describing the coherent propagation of an electromagnetic wave in random media. Under the Quasicrystalline Coherent Potential Approximation…

In principle, the Luttinger-Ward Green's function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact…

The calculation of self-energy corrections to the electron bands of a metal requires the evaluation of the intraband contribution to the polarizability in the small-q limit. When neglected, as in standard GW codes for semiconductors and…

We present a novel framework for designing multiplierless kernel machines that can be used on resource-constrained platforms like intelligent edge devices. The framework uses a piecewise linear (PWL) approximation based on a margin…

The optimized effective potential (OEP) method presents an unambiguous way to construct the Kohn-Sham potential corresponding to a given diagrammatic approximation for the exchange-correlation functional. The OEP from the random-phase…

The Random Phase Approximation (RPA) for correlation energy in the grid-based projector augmented wave (gpaw) code is accelerated by porting to the Graphics Processing Unit (GPU) architecture. The acceleration is achieved by grouping…

We present the results of calculations for Pu and Am performed using an implementation of self-consistent relativistic GW method. The key feature of our scheme is to evaluate polarizability and self-energy in real space and Matsubara's…

The O(alpha) electroweak radiative corrections to gamma gamma --> WW --> 4f within the electroweak Standard Model are calculated in double-pole approximation (DPA). Virtual corrections are treated in DPA, leading to a classification into…