Numerical solutions of the spectral problem for arbitrary self-adjoint extensions of the one-dimensional Schrödinger equation

DOI10.1137/110856800zbMATH Open1279.65093arXiv1103.5588OpenAlexW1978918983MaRDI QIDQ2840397FDOQ2840397

J. M. Pérez-Pardo, A. Ibort

Publication date: 18 July 2013

Published in: SIAM Journal on Numerical Analysis (Search for Journal in Brave)

Abstract: A numerical algorithm to solve the spectral problem for arbitrary self-adjoint extensions of 1D regular Schroedinger operators is presented. It is shown that the set of all self-adjoint extensions of 1D regular Schroedinger operators is in one-to-one correspondence with the group of unitary operators on the finite dimensional Hilbert space of boundary data, and they are characterized by a generalized class of boundary conditions that include the well-known Dirichlet, Neumann, Robin, (quasi-)periodic boundary conditions, etc. The numerical algorithm is based on a nonlocal boundary extension of the finite element method and their convergence is proved. An appropriate basis of boundary functions must be introduced to deal with arbitrary boundary conditions and the conditioning of its computation is analyzed. Some significant numerical experiments are also discussed as well as the comparison with some standard algorithms. In particular it is shown that appropriate perturbations of standard boundary conditions for the free particle leads to the theoretically predicted result of very large absolute values of the negative groundlevels of the system as well as the localization of the corresponding eigenvectors at the boundary (edge states).

Full work available at URL: https://arxiv.org/abs/1103.5588

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zbMATH Keywords

convergencenumerical examplesstabilityalgorithmboundary element methodseigenvalue problemfinite element methodspectral problemSchrödinger operator

Mathematics Subject Classification ID

Boundary eigenvalue problems for ordinary differential equations (34B09) Boundary value problems on graphs and networks for ordinary differential equations (34B45) Eigenvalues, estimation of eigenvalues, upper and lower bounds of ordinary differential operators (34L15) Particular ordinary differential operators (Dirac, one-dimensional Schrödinger, etc.) (34L40) Sturm-Liouville theory (34B24) Numerical solution of eigenvalue problems involving ordinary differential equations (65L15) Applications of boundary value problems involving ordinary differential equations (34B60)

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