Related papers: Simple high-accuracy method for solving bound-stat…
The gas of the interacted electrons is usually described within Kohn-Sham approximation by the set of Poisson and Schr\"{o}dinger equations with an effective potential for the single-particle wave functions. The solution of these equations…
We introduce an accurate and efficient method for a class of nonlocal potential evaluations with free boundary condition, including the 3D/2D Coulomb, 2D Poisson and 3D dipolar potentials. Our method is based on a Gaussian-sum approximation…
In solid-state physics, energies of molecular systems are usually computed with a plane-wave discretization of Kohn-Sham equations. A priori estimates of plane-wave convergence for periodic Kohn-Sham calculations with pseudopotentials have…
The implementation of the orbital minimization method (OMM) for solving the self-consistent Kohn-Sham (KS) problem for electronic structure calculations in a basis of non-orthogonal numerical atomic orbitals of finite-range is reported. We…
A simple methodology is suggested for the efficient calculation of certain central potentials having singularities. The generalized pseudospectral method used in this work facilitates {\em nonuniform} and optimal spatial discretization.…
We introduce a Monte-Carlo algorithm for the simulation of charged particles moving in the continuum. Electrostatic interactions are not instantaneous as in conventional approaches, but are mediated by a constrained, diffusing electric…
Many kernel methods suffer from high time and space complexities and are thus prohibitive in big-data applications. To tackle the computational challenge, the Nystr\"om method has been extensively used to reduce time and space complexities…
We use the tools of the J-matrix method to evaluate the S-matrix and then deduce the bound and resonance states energies for singular screened Coulomb potentials, both analytic and piecewise differentiable. The J-matrix approach allows us…
We study frequency domain electromagnetic scattering at a bounded, penetrable, and inhomogeneous obstacle $ \Omega \subset \mathbb{R}^3 $. From the Stratton-Chu integral representation, we derive a new representation formula when constant…
The D-dimensional Klein-Gordon (KG) wave equation with unequal scalar and time-like vector Cornell interactions is solved by the Laplace transform method. In fact, we obtained the bound state energy eigenvalues of the spinless relativistic…
The typical binding energy of heavy hadron spectroscopy makes the system accessible to perturbative calculations in terms of non-relativistic QCD. Within NRQCD the predictions of heavy quarkonium energy levels rely on the accurate…
We study the behavior of the complex potential between a heavy quark and its antiquark, which are in relative motion with respect to a hot and dense medium. The heavy quark-antiquark complex potential is obtained by correcting both the…
A major problem of kernel-based methods (e.g., least squares support vector machines, LS-SVMs) for solving linear/nonlinear ordinary differential equations (ODEs) is the prohibitive $O(an^3)$ ($a=1$ for linear ODEs and 27 for nonlinear…
In this paper the isogeometric Nystr\"om method is presented. It's outstanding features are: it allows the analysis of domains described by many different geometrical mapping methods in computer aided geometric design and it requires only…
In this paper, a two-grid temporal second-order scheme for the two-dimensional nonlinear Volterra integro-differential equation with weakly singular kernel is proposed to reduce the computation time and improve the accuracy of the scheme…
Kernel logistic regression (KLR) is a conventional nonlinear classifier in machine learning. With the explosive growth of data size, the storage and computation of large dense kernel matrices is a major challenge in scaling KLR. Even the…
Coulomb interactions of point charges can be calculated in $\mathcal{O}$(N) computation using the fast multipole method and direct calculations between charges nearby. It reduces computational cost dramatically, however, because of its…
The manuscript describes a quadrature rule that is designed for the high order discretization of boundary integral equations (BIEs) using the Nystr\"{o}m method. The technique is designed for surfaces that can naturally be parameterized…
The procedure commonly used in textbooks for determining the eigenvalues and eigenstates for a particle in an attractive Coulomb potential is not symmetric in the way the boundary conditions at $r=0$ and $r \rightarrow \infty$ are…
We study the quantum-mechanical bootstrap as it applies to the bound states of several central potentials in three dimensions. As part of this effort, we show how the bootstrap approach may be applied to ``non-algebraic'' potentials, such…