Related papers: Screening in 2D: GW calculations for surfaces and …
Accurate and efficient predictions of the quasiparticle properties of complex materials remain a major challenge due to the convergence issue and the unfavorable scaling of the computational cost with respect to the system size.…
We calculate the long-wavelength static screening properties of both neutral and doped graphene in the framework of density-functional theory. We use a plane-wave approach with periodic images in the third dimension and truncate the Coulomb…
Excited-state calculations, notably for quasiparticle band structures, are nowadays routinely performed within the GW approximation for the electronic self-energy. Nevertheless, certain numerical approximations and simplifications are still…
In a previous paper a method was developed to subtract the interactions due to periodically replicated charges (or other long-range entities) in one spatial dimension. The method constitutes a generalized "electrostatic layer correction"…
Dynamical screening is a key property of charged many-particle systems. Its theoretical description is based on the $GW$ approximation that is extensively applied for ground-state and equilibrium situations but also for systems driven out…
A new method for estimation of intragranular strain fields in polycrystalline materials based on scanning three-dimensional X-ray diffraction data (scanning-3DXRD) is presented and evaluated. Given an apriori known anisotropic compliance,…
Despite its success in the study of spectroscopic properties, the $GW$ method presents specific methodological challenges when applied to systems with metallic screening. Here, we present an efficient and fully ab-initio implementation for…
The GW approximation has been widely accepted as an ab initio tool for calculating defect levels with many-electron effect included. However, the GW simulation cost increases dramatically with the system size, and, unfortunately, large…
The space-based gravitational wave (GW) detectors are expected to observe lensed GW events, offering new opportunities for cosmology and fundamental physics.Across the millihertz band, lensing effects transition from the wave-optics regime…
Overlapping gravitational wave (GW) signals are expected in the third-generation (3G) GW detectors, leading to one of the major challenges in GW data analysis. Inference of overlapping GW sources is complicated - it has been reported that…
We propose a simple additive approach to simulate X-ray photoelectron spectra (XPS) of macromolecules based on the $GW$ method. Single-shot $GW$ ($G_0W_0$) is a promising technique to compute accurate core-electron binding energies (BEs).…
The GW approach produces highly accurate quasiparticle energies, but its application to large systems is computationally challenging, which can be largely attributed to the difficulty in computing the inverse dielectric matrix. To address…
3D Gaussian Splatting (3DGS) has shown promising performance in novel view synthesis. Previous methods adapt it to obtaining surfaces of either individual 3D objects or within limited scenes. In this paper, we make the first attempt to…
Two iterative techniques are described for decomposing a long-slit spectrum into the individual spectra of the point sources along the slit and the spectrum of the underlying background. One technique imposes the strong constraint that the…
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…
Quantitative phase imaging has become a topic of considerable interest in the microscopy community. We have recently described one such technique based on the use of a partitioned detection aperture, which can be operated in a single shot…
Reconstructing 3D scenes from unconstrained image collections poses significant challenges due to variations in appearance. In this paper, we propose Scalable Micro-macro Wavelet-based Gaussian Splatting (SMW-GS), a novel method that…
3D reconstruction from unconstrained image collections presents substantial challenges due to varying appearances and transient occlusions. In this paper, we introduce Micro-macro Wavelet-based Gaussian Splatting (MW-GS), a novel approach…
Using the quasiparticle self-consistent GW (QSGW) and local-density (LD) approximations, we calculate the q-dependent static dielectric function, and derive an effective 2D dielectric function corresponding to screening of point charges. In…
This paper proposes a novel framework for large-scale scene reconstruction based on 3D Gaussian splatting (3DGS) and aims to address the scalability and accuracy challenges faced by existing methods. For tackling the scalability issue, we…