A multiscale finite element method for the Schrödinger equation with multiscale potentials

DOI10.1137/19M1236989MaRDI QIDQ5240799zbMATH OpenOpenAlexFDO

Authors Jingrun Chen, Dingjiong Ma, Zhiwen Zhang

Publication date 29 October 2019

Published in SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1901.00343

zbMATH Keywords

finite element methodSchrödinger equation

Mathematics Subject Classification ID

Schrödinger operator, Schrödinger equation (35J10) Finite element, Rayleigh-Ritz and Galerkin methods for initial value and initial-boundary value problems involving PDEs (65M60)

Abstract: In recent years, an increasing attention has been paid to quantum heterostructures with tailored functionalities, such as heterojunctions and quantum matematerials, in which quantum dynamics of electrons can be described by the Schr"{o}dinger equation with multiscale potentials. The model, however, cannot be solved by asymptoics-based approaches where an additive form of different scales in the potential term is required to construct the prescribed approximate solutions. In this paper, we propose a multiscale finite element method to solve this problem in the semiclassical regime. The localized multiscale basis are constructed using sparse compression of the Hamiltonian operator, and thus are "blind" to the specific form of the potential term. After an one-shot eigendecomposition, we solve the resulting system of ordinary differential equations explicitly for the time evolution. In our approach, the spatial mesh size is $H=mathcalO(epsilon)$ where $epsilon$ is the semiclassical parameter and the time stepsize $k$ is independent of $epsilon$. Numerical examples in one dimension with a periodic potential, a multiplicative two-scale potential, and a layered potential, and in two dimension with an additive two-scale potential and a checkboard potential are tested to demonstrate the robustness and efficiency of the proposed method. Moreover, first-order and second-order rates of convergence are observed in $H^1$ and $L^2$ norms, respectively.

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Cited in

(14)

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• High-order multiscale discontinuous Galerkin methods for the one-dimensional stationary Schrödinger equation
• Efficient multiscale methods for the semiclassical Schrödinger equation with time-dependent potentials
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• scientific article; zbMATH DE number 5557861 (Why is no real title available?)
• Superconvergence of time invariants for the Gross-Pitaevskii equation
• A multiscale reduced basis method for the Schrödinger equation with multiscale and random potentials
• Multiscale Analysis and Computation for a Stationary Schrödinger--Poisson System in Heterogeneous Nanostructures
• Recovery a Posteriori Error Estimates for General Convex Elliptic Optimal Control Problems Subject to Pointwise Control Constraints
• Multiscale analysis and numerical algorithm for the Schrödinger equations in heterogeneous media
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• Efficient numerical method for the Schrödinger equation with high-contrast potentials
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