Related papers: Elimination of the linearization error and improve…
Numerical multiscale methods usually rely on some coupling between a macroscopic and a microscopic model. The macroscopic model is incomplete as effective quantities, such as the homogenized material coefficients or fluxes, are missing in…
Indoor long range wide area network (LoRaWAN) propagation is shaped by structural and time-varying environmental factors, which limit single-slope log-distance models and the standard log-normal shadowing assumption. We propose an…
The Liouville-Lanczos approach to linear-response time-dependent density-functional theory is generalized so as to encompass electron energy-loss and inelastic X-ray scattering spectroscopies in periodic solids. The computation of virtual…
Momentum dependent local-ansatz wavefunction approach (MLA) to the correlated electron systems in solids has been further developed to solve best a self-consistent equation for variational parameters at non half-filling. With use of the…
Beamforming in plane-wave imaging (PWI) is an essential step in creating images with optimal quality. Adaptive methods estimate the apodization weights from echo traces acquired by several transducer elements. Herein, we formulate…
We give improved bounds for our theorem in [GW09], which shows that a system of linear forms on $\mathbb{F}_p^n$ with squares that are linearly independent has the expected number of solutions in any linearly uniform subset of…
Rotations have become essential to state-of-the-art quantization pipelines for large language models (LLMs) by effectively smoothing outliers in weights and activations. However, further optimizing the rotation parameters offers only…
This paper summarises the theory and functionality behind Questaal, an open-source suite of codes for calculating the electronic structure and related properties of materials from first principles. The formalism of the linearised muffin-tin…
We review the simple linear muffin-tin orbital method in the atomic-spheres approximation and a tight-binding representation (TB-LMTO-ASA method), and show how it can be generalized to an accurate and robust Nth order muffin-tin orbital…
This note presents a combination of published and preliminary electroweak results from the four LEP collaborations and the SLD collaboration which were prepared for the 2000 summer conferences. Averages from Z0 resonance results are derived…
In this work we consider (hierarchical, Lagrange) reduced basis approximation and a posteriori error estimation for elasticity problems in affinley parametrized geometries. The essential ingredients of the methodology are: a Galerkin…
Extracting molecular properties from a wave function can be done through the linear response (LR) formalism or, equivalently, the equation of motion (EOM) formalism. For a simple model system, He in a 6-31G basis, it is here shown that…
We present mathematical and conceptual foundations for the task of robust amplitude estimation using engineered likelihood functions (ELFs), a framework introduced in Wang et al. [PRX Quantum 2, 010346 (2021)] that uses Bayesian inference…
A new framework to study electroweak physics at one-loop level in general ${\rm SU(2)_L \times U(1)_Y}$ theories is introduced. It separates the 1-loop corrections into two pieces: process specific ones from vertex and box contributions and…
Harmonic lasing in a free electron laser with a planar undulator (under the condition that the fundamental frequency is suppressed) might be a cheap and efficient way of extension of wavelength ranges of existing and planned X-ray FEL…
We develop new accelerated first-order algorithms in the Frank-Wolfe (FW) family for minimizing smooth convex functions over compact convex sets, with a focus on two prominent constraint classes: (1) polytopes and (2) matrix domains given…
We study various corrections of correlation functions to leading order in conformal perturbation theory, both on the cylinder and on the plane. Many problems on the cylinder are mathematically equivalent to those in the plane if we give the…
In Federated Learning (FL), with parameter aggregated by a central node, the communication overhead is a substantial concern. To circumvent this limitation and alleviate the single point of failure within the FL framework, recent studies…
We reexamine the recently introduced basis-set correction theory based on density-functional theory consisting in correcting the basis-set incompleteness error of wave-function methods using a density functional. We use a one-dimensional…
An analytic description of laser-assisted electron-atom scattering (LAES) in an elliptically polarized field is presented using time-dependent effective range (TDER) theory to treat both electron-laser and electron-atom interactions…