相关论文: Efficient GW calculations for metals from an accur…

The GW approximation is a cornerstone of many-body perturbation theory for computing single-particle excitations, yet it fundamentally breaks down in strongly correlated systems where the single-reference picture fails. To overcome this…

The \emph{GW} approximation takes into account electrostatic self-interaction contained in the Hartree potential through the exchange potential. However, it has been known for a long time that the approximation contains self-screening error…

We solve the Dyson equation for atoms and diatomic molecules within the GW approximation, in order to elucidate the effects of self-consistency on the total energies and ionization potentials. We find GW to produce accurate energy…

In this paper, we propose a Gaussian Process (GP) emulator for the calculation of a) tomographic weak lensing band-power spectra, and b) coefficients of summary data massively compressed with the MOPED algorithm. In the former case…

Numerous linear and non-linear data-detection and precoding algorithms for wideband massive multi-user (MU) multiple-input multiple-output (MIMO) wireless systems that rely on orthogonal frequency-division multiplexing (OFDM) or…

We present a systematic study of the variables affecting the electronic and optical properties of two-dimensional(2D) crystals within \textit{ab initio} GW and GW plus Bethe Salpeter Equation (GW-BSE) calculations. As a prototypical 2D…

Next-generation gravitational wave (GW) experiments will explore higher frequency ranges, where GW wavelengths approach the size of the detector itself. In this regime, GWs may be detected not just through the well-known mechanical…

Graphene is one of the most researched two dimensional (2D) material due to its unique combination of mechanical, thermal and electrical properties. Special 2D structure of graphene enables it to exhibit a wide range of peculiar material…

We have developed a multi-objective optimization (MOO) procedure to construct modified-embedded-atom-method (MEAM) potentials with minimal manual fitting. This procedure has been applied successfully to develop a new MEAM potential for…

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…

We introduce a Gaussian approximation potential (GAP) for atomistic simulations of liquid and amorphous elemental carbon. Based on a machine-learning representation of the density-functional theory (DFT) potential-energy surface, such…

Charged excitations of the oligoacene family of molecules, relevant for astrophysics and technological applications, are widely studied and therefore provide an excellent system for benchmarking theoretical methods. In this work, we…

Strong lensing of gravitational wave (GW) sources allows the observer to see the GW source from different lines-of-sight (LOS) through the corresponding images, which provides a way for constraining the relative proper motion of the GW…

3D Gaussian Splatting (3DGS) has recently emerged in computer vision as a promising rendering technique. By adapting the principles of Elliptical Weighted Average (EWA) splatting to a modern differentiable pipeline, 3DGS enables real-time,…

We calculate the photoemission spectra of suspended and epitaxial doped graphene using an ab initio cumulant expansion of the Green's function based on the GW self-energy. Our results are compared to experiment and to standard GW…

The intrinsic alignment (IA) of galaxies has been shown to be a significant barrier to precision cosmic shear measurements. (Zhang, 2010, ApJ, 720, 1090) proposed a self-calibration technique for the power spectrum to calculate the induced…

In recent years, the $GW$ method has emerged as a reliable tool for computing core-level binding energies. The contour deformation (CD) technique has been established as an efficient, scalable, and numerically stable approach to compute the…

W projection is a commonly-used approach to allow interferometric imaging to be accelerated by Fast Fourier Transforms (FFTs), but it can require a huge amount of storage for convolution kernels. The kernels are not separable, but we show…

A radio interferometer indirectly measures the intensity distribution of the sky over the celestial sphere. Since measurements are made over an irregularly sampled Fourier plane, synthesising an intensity image from interferometric…

A new model independent method is presented for the analysis of pulsar timing data and the estimation of the spectral properties of an isotropic gravitational wave background (GWB). We show that by rephrasing the likelihood we are able to…