Absorbing Boundary Conditions for Variable Potential Schrödinger Equations via Titchmarsh-Weyl Theory

Fuente: arXiv
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Autori principali: Ehrhardt, Matthias, Zheng, Chunxiong
Natura: Preprint
Pubblicazione: 2024
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author Ehrhardt, Matthias
Zheng, Chunxiong
author_facet Ehrhardt, Matthias
Zheng, Chunxiong
contents We propose a novel approach to simulate the solution of the time-dependent Schrödinger equation with a general variable potential. The key idea is to approximate the Titchmarsh-Weyl m-function (exact Dirichlet-to-Neumann operator) by a rational function with respect to an appropriate spectral parameter. By using this method, we overcome the usual high-frequency restriction associated with absorbing boundary conditions in general variable potential problems. The resulting fast computational algorithm for absorbing boundary conditions ensures accuracy over the entire frequency range.
format Preprint
id arxiv_https___arxiv_org_abs_2408_00671
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Absorbing Boundary Conditions for Variable Potential Schrödinger Equations via Titchmarsh-Weyl Theory
Ehrhardt, Matthias
Zheng, Chunxiong
Numerical Analysis
Computational Physics
65M99, 81-08
We propose a novel approach to simulate the solution of the time-dependent Schrödinger equation with a general variable potential. The key idea is to approximate the Titchmarsh-Weyl m-function (exact Dirichlet-to-Neumann operator) by a rational function with respect to an appropriate spectral parameter. By using this method, we overcome the usual high-frequency restriction associated with absorbing boundary conditions in general variable potential problems. The resulting fast computational algorithm for absorbing boundary conditions ensures accuracy over the entire frequency range.
title Absorbing Boundary Conditions for Variable Potential Schrödinger Equations via Titchmarsh-Weyl Theory
topic Numerical Analysis
Computational Physics
65M99, 81-08
url https://arxiv.org/abs/2408.00671