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We proposed a distributed approximating functional method for efficiently describing the electronic dynamics in atoms and molecules in the presence of the Coulomb singularities, using the kernel of a grid representation derived by using the…
We present an application of a nonstandard approximate method---the finite-rank approximation---to solving the time-independent Schr\"odinger equation for a bound-state problem. The method is illustrated on the example of a…
The finite element method (FEM) is a cornerstone numerical technique for solving partial differential equations (PDEs). Here, we present $\textbf{Qu-FEM}$, a fault-tolerant era quantum algorithm for the finite element method. In contrast to…
In this paper we suggest a new approach for the multichannel Coulomb scattering problem. The Schr\"{o}dinger equation for the problem is reformulated in the form of a set of inhomogeneous equations with a finite-range driving term. The…
This work focuses on a class of elliptic boundary value problems with diffusive, advective and reactive terms, motivated by the study of three-dimensional heterogeneous physical systems composed of two or more media separated by a selective…
We propose and analyse a novel surface finite element method that preserves the invariant regions of systems of semilinear parabolic equations on closed compact surfaces in $\mathbb{R}^3$ under discretisation. We also provide a…
This paper is devoted to the analysis of a numerical scheme based on the Finite Element Method for approximating the solution of Koiter's model for a linearly elastic elliptic membrane shell subjected to remaining confined in a prescribed…
In this article, we study numerical approximation of eigenvalue problems of the Schr\"{o}dinger operator $\displaystyle -\Delta u + \frac{c^2}{|x|^2}u$. There are three stages in our investigation: We start from a ball of any dimension, in…
In this work, we propose a mixed finite element method for solving elliptic multiscale problems based on a localized orthogonal decomposition (LOD) of Raviart-Thomas finite element spaces. It requires to solve local problems in small…
An adaptive finite element method is presented for the elastic scattering of a time-harmonic plane wave by a periodic surface. First, the unbounded physical domain is truncated into a bounded computational domain by introducing the…
We present a spectrally-accurate scheme to turn a boundary integral formulation for an elliptic PDE on a single unit cell geometry into one for the fully periodic problem. Applications include computing the effective permeability of…
A novel unified Hamiltonian approach is proposed to solve Maxwell-Schrodinger equation for modeling the interaction between classical electromagnetic (EM) fields and particles. Based on the Hamiltonian of electromagnetics and quantum…
This paper presents the exact ground state solution for a diatomic particle system with position-dependent complex mass under action of a complex Morse potential in the quantum domain. By solving the position-dependent Schr\"odinger…
The parallel orbital-updating approach is an orbital/eigenfunction iteration based approach for solving eigenvalue problems when many eigenpairs are required. It has been proven to be efficient, for instance, in electronic structure…
Optimally convergent (with respect to the regularity) quadratic finite element method for two dimensional obstacle problem on simplicial meshes is studied in (Brezzi, Hager, Raviart, Numer. Math, 28:431--443, 1977). There was no analogue of…
Consider the electromagnetic scattering of a time-harmonic plane wave by an open cavity which is embedded in a perfectly electrically conducting infinite ground plane. This paper is concerned with the numerical solutions of the transverse…
Solving the time-dependent Schr\"odinger equation is an important application area for quantum algorithms. We consider Schr\"odinger's equation in the semi-classical regime. Here the solutions exhibit strong multiple-scale behavior due to a…
We consider a finite element discretization for the dual Rudin--Osher--Fatemi model using a Raviart--Thomas basis for $H_0 (\mathrm{div};\Omega)$. Since the proposed discretization has splitting property for the energy functional, which is…
We present a computationally efficient approach to perform systematically convergent real-space all-electron Kohn-Sham DFT calculations for solids using an enriched finite element (FE) basis. The enriched FE basis is constructed by…
Elliptic interface problems whose solutions are $C^0$ continuous have been well studied over the past two decades. The well-known numerical methods include the strongly stable generalized finite element method (SGFEM) and immersed FEM…