Related papers: Screening in 2D: GW calculations for surfaces and …
Computational spectrometers have mobile application potential, such as on-site detection and self-diagnosis, by offering compact size, fast operation time, high resolution, wide working range, and low-cost production. Although these…
The GW self-energy may become computationally challenging to evaluate because of frequency and momentum convolutions. These difficulties were recently addressed by the development of the multipole approximation (MPA) and the W-av methods:…
The purpose of this article is to study the behavior of a heterogeneous thin film whose microstructure oscillates on a scale that is comparable to that of the thickness of the domain. The argument is based on a 3D-2D dimensional reduction…
Molecule-metal interfaces have a broad range of applications in nanoscale materials science. Accurate characterization of their electronic structures from first-principles is key in understanding material and device properties. The GW…
We present a plane wave implementation of the G0W0 approximation within the projector augmented wave method code GPAW. The computed band gaps of ten bulk semiconductors and insulators deviate on average by 0.2 eV (~ 5 %) from the…
We present a scalable implementation of the $GW$ approximation using Gaussian atomic orbitals to study the valence and core ionization spectroscopies of molecules. The implementation of the standard spectral decomposition approach to the…
Imaging through dynamic scattering media, such as biological tissue, presents a fundamental challenge due to light scattering and the formation of speckle patterns. These patterns not only degrade image quality but also decorrelate rapidly,…
The multipole expansion has found limited applicability for optical dielectric resonators in inhomogeneous environment, such as on the surface of substrates. Here, we generalize the method of images to multipole analysis for light…
We apply the quasiparticle self-consistent GW method (QSGW) to slab models of ionic materials, LiF, KF, NaCl, MgO, and CaO, under electric field. Then we obtain the optical dielectric constants E(Slab) from the differences of the slopes of…
3D Gaussian Splatting (3DGS) has demonstrated impressive performance in scene reconstruction. However, most existing GS-based surface reconstruction methods focus on 3D objects or limited scenes. Directly applying these methods to…
Like light, gravitational waves can be gravitationally lensed by massive objects along their travel path. Strong lensing produces several images from the same binary coalescence and is forecasted to have a promising rate in ground-based…
Diffraction of light upon interaction with thick slabs of a dielectric material having a periodic modulation of its refractive index (or dielectric tensor) is typically studied with the aid of the method known as the rigorous coupled-wave…
Fully self-consistent GW (sc-GW) methods are now available to evaluate quasiparticle and spectral properties of various molecular and bulk systems. However, such techniques based on the full matrix of G and W are computationally demanding.…
The GW approximation in electronic structure theory has become a widespread tool for predicting electronic excitations in chemical compounds and materials. In the realm of theoretical spectroscopy, the GW method provides access to charged…
Classically, anisotropic surface wave tomography is treated as an optimisation problem where it proceeds through a linearised two-step approach. It involves the construction of 2D group or phase velocity maps for each considered period,…
Second harmonic generation (SHG) is forbidden in centrosymmetric molecular materials. However, a signal is frequently observed from interfaces where the symmetry is broken. Whereas the effect can be phenomenologically accommodated, an ab…
We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration, and do not require the explicit evaluation of virtual electronic…
Generalized ellipsometry, a non-destructive optical characterization technique, is employed to determine geometrical structure parameters and anisotropic dielectric properties of highly spatially coherent three-dimensionally nanostructured…
Previous surface reconstruction methods either suffer from low geometric accuracy or lengthy training times when dealing with real-world complex dynamic scenes involving multi-person activities, and human-object interactions. To tackle the…
Previous methods for the evaluation of the exfoliation of two-dimensional (2D) layered materials have drawbacks in computational efficiency and are unable to describe cases with semi-infinite substrates. Based on a Green's function surface…