Related papers: Fully Analytic Nuclear Gradients for the Bethe--Sa…
We present an accurate approach to compute X-ray photoelectron spectra based on the $GW$ Green's function method, that overcomes shortcomings of common density functional theory approaches. $GW$ has become a popular tool to compute valence…
A simple model of nucleons coupled to angular momentum zero (s-pairs) occupying the valance shell of a semi-magic nuclei is considered. The model has a separable, orbit dependent pairing interaction which dominates over the kinetic term. It…
The combination of two-dimensional materials into heterostructures offers new opportunities for the design of optoelectronic devices with tunable properties. However, computing electronic and optical properties of such systems using…
The purpose of this paper is twofold. The first purpose is to find a fully Poincare invariant solution of the Bethe-Salpeter equation for excited quarkonia, however, the second, in fact, major focus is on the relevance of the space-time…
Level densities are often parametrized using the back-shifted Bethe formula (BBF) for nuclei that possess experimental data for s-wave neutron resonance average spacings and a complete discrete level sequence at low excitation energies.…
We use state-of-the art GW-BSE formalism to study electronic structure and optical properties of oxygen vacancies in $\alpha$-alumina. Many body perturbation theory within GW approximation in recent years have been used extensively to study…
We propose a novel Skew Gradient Embedding (SGE) framework for systematically reformulating thermodynamically consistent partial differential equation (PDE) models-capturing both reversible and irreversible processes-as generalized gradient…
The quantized neural networks (QNNs) can be useful for neural network acceleration and compression, but during the training process they pose a challenge: how to propagate the gradient of loss function through the graph flow with a…
The problem of calculating of the mass spectrum of the two-body Bethe-Salpeter equation is studied with no reduction to the three-dimensional ("quasipotential") equation. The method to find the ground state and excited states for a channel…
We study the ground-state properties and excitation spectrum of the Lieb-Liniger model, i.e. the one-dimensional Bose gas with repulsive contact interactions. We solve the Bethe-Ansatz equations in the thermodynamic limit by using an…
The summation method for the calculation of reactor $\bar{\nu}_e$ fluxes and spectra is methodically revised and improved. For the first time, a complete uncertainty budget accounting for all known effects likely to impact these…
The solution for the nucleon-nucleon T matrix in the framework of the covariant Bethe-Salpeter approach for a two spin-one-half particle system with a separable kernel of interaction is analyzed. The explicit analytical connection between…
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…
As a representative continuous-depth neural network approach, stochastic differential equation (SDE)-based Bayesian neural networks (BNNs) have attracted considerable attention due to their solid theoretical foundations and strong potential…
Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classical computer to optimize the parameters of a trial wave…
Beta decay is a fundamental process that governs nuclear stability and serves as a sensitive probe of the weak interaction and possible physics beyond the Standard Model of particle physics. However, precise measurements of complete $\beta$…
Successful modern generalized gradient approximations (GGA) are biased toward atomic energies. Restoration of the first-principles gradient expansion for the exchange energy over a wide range of density gradients eliminates this bias. We…
Analytic energy gradients with respect to nuclear motion are derived for non-singlet compounds in the natural orbital functional theory. We exploit the formulation for multiplets in order to obtain a simple formula valid for any…
The calculation of the equilibrium optical properties of bulk silicon by using the Bethe--Salpeter equation solved in the Kohn--Sham basis represents a cornerstone in the development of an ab--initio approach to the optical and electronic…
For the coefficients of the amplitude a set of simultaneous equations is derived in momentum space. By the auxiliary conditions they are equivalent to nonrelativistic equations and suitable for the investigation of two-nucleon system.