Numerical approximation of the Schrödinger equation with concentrated potential

DOI10.1016/J.JCP.2019.109155MaRDI QIDQ2223210zbMATH OpenOpenAlexFDO

Authors Yanyan Li

Publication date 28 January 2021

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1908.01292

zbMATH Keywords

boundary integral equationscontour integral methodsconvolution quadraturefast and oblivious algorithmsSchrödinger equation

Mathematics Subject Classification ID

Schrödinger operator, Schrödinger equation (35J10) Numerical quadrature and cubature formulas (65D32) Fundamental solutions, Green's function methods, etc. for initial value and initial-boundary value problems involving PDEs (65M80)

Abstract: We present a family of algorithms for the numerical approximation of the Schr"odinger equation with potential concentrated at a finite set of points. Our methods belong to the so-called fast and oblivious convolution quadrature algorithms. These algorithms are special implementations of Lubich's Convolution Quadrature which allow, for certain applications in particular parabolic problems, to significantly reduce the computational cost and memory requirements. Recently it has been noticed that their use can be extended to some hyperbolic problems. Here we propose a new family of such efficient algorithms tailored to the features of the Green's function for Schr"odinger equations. In this way, we are able to keep the computational cost and the storage requirements significantly below existing approaches. These features allow us to perform reliable numerical simulations for longer times even in cases where the solution becomes highly oscillatory or seems to develop finite time blow-up. We illustrate our new algorithm with several numerical experiments.

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Cited in

(10)

• Numerical approximation of quadratic observables of Schrödinger-type equations in the semi-classical limit
• Efficient simulation of the Schrödinger equation with a piecewise constant positive potential
• Numerical methods for the Wigner equation with unbounded potential
• Fourier spectral method for a class of nonlinear Schrödinger models
• Numerical solution to the Schrödinger equation by constrained optimization
• Accelerated convergence for Schrödinger equations with non-smooth potentials
• Numerical calculation of wavefunctions near a strongly repulsive potential
• Soft computing artificial intelligence of Schrödinger time independent equation arises in Wheeler-DeWitt model of quantum cosmology
• High-accuracy numerical methods and convergence analysis for Schrödinger equation with incommensurate potentials
• Generalized convolution quadrature for non smooth sectorial problems

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