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We use variable transformation from the real line to finite or semi-infinite spaces where we expand the regular solution of the 1D time-independent Schrodinger equation in terms of square integrable bases. We also require that the basis…
Periodic micromagnetic finite element method (PM-FEM) is introduced to solve periodic unit cell problems using the Landau-Lifshitz-Gilbert equation. PM-FEM is applicable to general problems with 1D, 2D, and 3D periodicities. PM-FEM is based…
We consider the one-dimensional linear free space Schr\"odinger equation on a bounded interval subject to homogeneous linear boundary conditions. We prove that, in the case of pseudoperiodic boundary conditions, the solution of the…
We present a method for efficiently finding solutions of L\"uscher's quantisation condition, the equation which relates two-particle scattering amplitudes to the discrete spectrum of states in a periodic spatial volume of finite extent such…
This paper introduces the Non-linear Partition of Unity Method, a novel technique integrating Radial Basis Function interpolation and Weighted Essentially Non-Oscillatory algorithms. It addresses challenges in high-accuracy approximations,…
We develop a quantum algorithm for solving high-dimensional fractional Poisson equations. By applying the Caffarelli-Silvestre extension, the $d$-dimensional fractional equation is reformulated as a local partial differential equation in…
We investigate the parallel one-level overlapping Schwarz method for solving finite element discretization of high-frequency Helmholtz equations. The resulting linear systems are large, indefinite, ill-conditioned, and complex-valued. We…
We present a new full-potential method to solve the one-body problem, for example, in the local density approximation. The method uses the augmented plane waves (APWs) and the generalized muffin-tin orbitals (MTOs) together as basis sets to…
We present a spectral finite-element formulation of the optimized effective potential (OEP) method for atomic structure calculations in the random phase approximation (RPA). In particular, we develop a finite-element framework that employs…
A previously developed quantum reduced-order model is revised and applied, together with the domain decomposition, to develop the quantum element method (QEM), a methodology for fast and accurate simulation of quantum eigenvalue problems.…
In this paper, we study a generalized finite element method for solving second-order elliptic partial differential equations with rough coefficients. The method uses local approximation spaces computed by solving eigenvalue problems on…
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…
This paper is concerned with a 1D Schr\"odinger scattering problem involving both oscillatory and evanescent regimes, separated by jump discontinuities in the potential function, to avoid "turning points". We derive a non-overlapping domain…
It is significant and challenging to solve eigenvalue problems of partial differential operators when many highly accurate eigenpair approximations are required. The adaptive finite element discretization based parallel orbital-updating…
The Schr\"odinger equation defines the dynamics of quantum particles which has been an area of unabated interest in physics. We demonstrate how simple transformations of the Schr\"odinger equation leads to a coupled linear system, whereby…
This paper presents key enhancements to our previous work~\cite{naghmouchi2024mixed} on a hybrid Benders decomposition (HBD) framework for solving mixed integer linear programs (MILPs). In our approach, the master problem is reformulated as…
In this paper, we study the dynamics of a class of nonlinear Schr\"odinger equation $ i u_t = \triangle u + u^p $ for $ x \in \mathbb{T}^d$. We prove that the PDE is integrable on the space of non-negative Fourier coefficients, in…
This paper provides a provably quasi-optimal preconditioning strategy of the linear Schr\"odinger eigenvalue problem with periodic potentials for a possibly non-uniform spatial expansion of the domain. The quasi-optimality is achieved by…
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…
We develop a new envelope-function formalism to describe electrons in slowly-varying inhomogeneously strained semiconductor crystals. A coordinate transformation is used to map a deformed crystal back to geometrically undeformed structure…