Related papers: Study of various few-body systems using Gaussian e…
Bayesian quantum estimation provides a robust framework for quantum technologies, especially in scenarios with limited data and minimal prior information. Yet, its application to continuous-variable Gaussian systems has remained limited and…
Using the finite simulation-cell homogeneous electron gas (HEG) as a model, we investigate the convergence of the correlation energy to the complete basis set (CBS) limit in methods utilising plane-wave wavefunction expansions. Simple…
We derive an asymptotic expansion for the log likelihood of Gaussian mixture models (GMMs) with equal covariance matrices in the low signal-to-noise regime. The expansion reveals an intimate connection between two types of algorithms for…
A numerical method optimizing the coefficients of the semi empirical mass formula or those of similar mass formulas is presented. The optimization is based on the least-squares adjustments method and leads to the resolution of a linear…
A simple scheme is described for introducing the correct cusps at nuclei into orbitals obtained from Gaussian basis set electronic structure calculations. The scheme is tested with all-electron variational quantum Monte Carlo (VMC) and…
We extend our previous Schwarzschild metric-based studies of gravitational--electromagnetic (GEM) coupling to rotating black holes by working directly in a curvature-based Newman--Penrose/Teukolsky framework on Kerr spacetime. Within a…
The study of wave packet is of great significance in quantum mechanics, optics and fluid mechanics. However, in order to solve the strict evolution behavior of wave packet, it is necessary not only to determine the parameters of various…
In this paper, we develop the constrained energy minimizing generalized multiscale finite element method (CEM-GMsFEM) with mixed boundary conditions (Dirichlet and Neumann) for the elasticity equations in high contrast media. By a special…
Nuclear cluster physics implicitly assumes a distinction between groups of degrees-of-freedom, that is the (frozen) intrinsic and (explicitly treated) relative cluster motion. We formulate a realistic and practical method to describe the…
The oscillator bases expansion stands as an efficient approximation method for the time-independent Schr\"odinger equation. The method, originally formulated with one non-linear variational parameter, can be extended to incorporate two such…
We present a $GW$ space-time algorithm for periodic systems in a Gaussian basis including spin-orbit coupling. We employ lattice summation to compute the irreducible density response and the self-energy, while we employ $k$-point sampling…
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 developed a method to calculate positions and widths of three-body resonances. The method combines the hyperspherical adiabatic approach, slow variable discretization method (Tolstikhin et al., J. Phys. B: At. Mol. Opt. Phys. 29, L389…
In this paper, we develop the constraint energy minimization generalized multiscale finite element method (CEM-GMsFEM) in mixed formulation applied to parabolic equations with heterogeneous diffusion coefficients. The construction of the…
We present an approach for GW calculations of quasiparticle energies with quasi-quadratic scaling by approximating high-energy contributions to the Green's function in its Lehmann representation with effective stochastic vectors. The method…
Gas electron multipliers (GEM) detectors are gaseous detectors widely used for tracking and imaging applications due to their good position resolution, high efficiency at high irradiation rates, among other factors. In the present work,…
The semi-exponential basis set of radial functions (A.M. Frolov, Physics Letters A {\bf 374}, 2361 (2010)) is used for variational computations of bound states in three-electron atomic systems. It appears that semi-exponential basis set has…
In this paper, we investigate the problem of electromagnetic (EM) wave scattering by one and many small perfectly conducting bodies and present a numerical method for solving it. For the case of one body, the problem is solved for a body of…
The three-body scattering problem in Coulombic systems is widespread, however yet unresolved problem by the mathematically rigorous methods. In this work this long term challenge has been undertaken by combining distorted waves and…
The Expectation-Maximization (EM) algorithm is one of the most popular methods used to solve the problem of parametric distribution-based clustering in unsupervised learning. In this paper, we propose to analyze a generalized EM (GEM)…