Related papers: Scalable Parallel Numerical Methods and Software T…
A revision of the recursive method proposed by S.A. Shakir [Am. J.Phys. \textbf{52}, 845 (1984)] to solve bound eigenvalues of the Schr\"odinger equation is presented. Equations are further simplified and generalized for computing wave…
We introduce a new real space super cell approximation method for treating the electronic states of disordered systems. This method is general and allows both randomness in the on-site energies and in the hopping integrals. In the special…
Unfitted finite element methods have emerged as a popular alternative to classical finite element methods for the solution of partial differential equations and allow modeling arbitrary geometries without the need for a boundary-conforming…
We present a class of exponential integrators to compute solutions of the stochastic Schr\"odinger equation arising from the modeling of open quantum systems. In order to be able to implement the methods within the same framework as the…
In this paper two types of multgrid methods, i.e., the Rayleigh quotient iteration and the inverse iteration with fixed shift, are developed for solving the Maxwell eigenvalue problem with discontinuous relative magnetic permeability and…
We propose an approximate solution of the time-dependent Schr\"odinger equation using the method of stationary states combined with a variational matrix method for finding the energies and eigenstates. We illustrate the effectiveness of the…
In this paper, a full (nested) multigrid scheme is proposed to solve eigenvalue problems. The idea here is to use the multilevel correction method to transform the solution of eigenvalue problem to a series of solutions of the corresponding…
In this paper a novel numerical approximation of parametric eigenvalue problems is presented. We motivate our study with the analysis of a POD reduced order model for a simple one dimensional example. In particular, we introduce a new…
The main goal of this paper is to study the nature of the support of the solution of suitable nonlinear Schr\"{o}dinger equations mainly the compactness of the support and its spatial localization. This question is very related with pure…
An alternating direction method of multipliers (ADMM) solver is described for optimal resource allocation problems with separable convex quadratic costs and constraints and linear coupling constraints. We describe a parallel implementation…
Analytical solutions of the N-dimensional Schr\"odinger equation for the newly proposed Varshni-Hulth\'en potential are obtained within the framework of Nikiforov-Uvarov method by using Greene-Aldrich approximation scheme to the centrifugal…
We consider radial complex scaling/perfectly matched layer methods for scalar resonance problems in homogeneous exterior domains. We introduce a new abstract framework to analyze the convergence of domain truncations and discretizations.…
We propose an eigensolver and the corresponding package, GCGE, for solving large scale eigenvalue problems. This method is the combination of damping idea, subspace projection method and inverse power method with dynamic shifts. To reduce…
Local-spin-density functional calculations may be affected by severe errors when applied to the study of magnetic and strongly-correlated materials. Some of these faults can be traced back to the presence of the spurious self-interaction in…
This paper aims at the efficient numerical solution of stochastic eigenvalue problems. Such problems often lead to prohibitively high dimensional systems with tensor product structure when discretized with the stochastic Galerkin method.…
The advent of massively parallel supercomputers, with their distributed-memory technology using many processing units, has favored the development of highly-scalable local low-order solvers at the expense of harder-to-scale global very…
The stochastic heavy ball momentum (SHBM) method has gained considerable popularity as a scalable approach for solving large-scale optimization problems. However, one limitation of this method is its reliance on prior knowledge of certain…
In this study, we give the variation of parameters method from a different viewpoint for the Nth order inhomogeneous linear ordinary difference equations with constant coefficient by means of delta exponential function . Advantage of this…
We present an effective numerical procedure, which is based on the computational scheme from [Heid et al., arXiv:1906.06954], for the numerical approximation of excited states of Schr\"odingers equation. In particular, this procedure…
This paper investigates a numerical probabilistic method for the solution of some semilinear stochastic partial differential equations (SPDEs in short). The numerical scheme is based on discrete time approximation for solutions of systems…