Related papers: Linear Augmented Slater-Type Orbital Method for Fr…
Based on the auxiliary subspace techniques, a hierarchical basis a posteriori error estimator is proposed for the Stokes problem in two and three dimensions. For the error estimator, we need to solve only two global diagonal linear systems…
We discuss the application of the local lattice technique of Maggs and Rossetto to problems that involve the motion of objects with different dielectric constants than the background. In these systems the simulation method produces a…
In this study, the one-center expansion formulas in terms of complete orthonormal sets of -exponential type orbitals (-ETOs,) are established for the Slater type orbitals (STOs) and Coulomb-Yukawa like correlated interaction potentials…
We focus on solving the clustered lasso problem, which is a least squares problem with the $\ell_1$-type penalties imposed on both the coefficients and their pairwise differences to learn the group structure of the regression parameters.…
A formalism based on the complex-scaling method is presented to solve the few particle scattering problem in configuration space using bound state techniques with trivial boundary conditions. Several applications to A=3,4 systems are…
The increasing number of Low Earth Orbit (LEO) satellites, driven by lower manufacturing and launch costs, is proving invaluable for Earth observation missions and low-latency internet connectivity. However, as the number of satellites…
In this paper, we study two kinds of structure-preserving splitting methods, including the Lie--Trotter type splitting method and the finite difference type method, for the stochasticlogarithmic Schr\"odinger equation (SlogS equation) via a…
A new class of soliton-like solutions is derived for the Grad-Shafranov (GS) equations. A mathematical analogy between the GS equation for MHD equilibria and the cubic Schr\"odinger (CS) equation for non-linear wave propagation forms the…
Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…
A finite element methodology for large classes of variational boundary value problems is defined which involves discretizing two linear operators: (1) the differential operator defining the spatial boundary value problem; and (2) a Riesz…
We describe recent progress in developing practical ab initio methods for which the computer effort is proportional to the number of atoms: linear scaling or O(N) methods. It is shown that the locality property of the density matrix gives a…
We present a systematic technique for constructing Lorentz covariant orbital-spin ($LS$) bases for matrix elements of local operators and the associated form factors, thereby extending the traditional multipole expansion to a Lorentz…
We introduce a space-time finite element method for the linear time-dependent Schr\"odinger equation with Dirichlet conditions in a bounded Lipschitz domain. The proposed discretization scheme is based on a space-time variational…
This work deals with the numerical solution of the Vlasov equation. This equation gives a kinetic description of the evolution of a plasma, and is coupled with Poisson's equation for the computation of the self-consistent electric field.…
In this series of eight papers we present the applications of methods from wavelet analysis to polynomial approximations for a number of accelerator physics problems. In this part we consider a model for spin-orbital motion: orbital…
We propose a nodal discontinuous Galerkin method for solving the nonlinear Riesz space fractional Schr\"{o}dinger equation and the strongly coupled nonlinear Riesz space fractional Schr\"{o}dinger equations. These problems have been…
This work describes the fully analytical method for calculation of the molecular integrals over Slater-type orbitals with non-integer principal quantum numbers. These integrals are expressed through relativistic molecular auxiliary…
An integrator for a class of stochastic Lie-Poisson systems driven by Stratonovich noise is developed. The integrator is suited for Lie-Poisson systems that also admit an isospectral formulation, which enables scalability to…
We present a variationally separable splitting technique for the generalized-$\alpha$ method for solving parabolic partial differential equations. We develop a technique for a tensor-product mesh which results in a solver with a linear cost…
We present different regularizations and numerical methods for the nonlinear Schr\"odinger equation with singular nonlinearity (sNLSE) including the regularized Lie-Trotter time-splitting (LTTS) methods and regularized Lawson-type…