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Absorbing Boundary Conditions for Variable Potential Schr\"odinger Equations via Titchmarsh-Weyl Theory

Numerical Analysis 2024-08-02 v1 Numerical Analysis Computational Physics

Abstract

We propose a novel approach to simulate the solution of the time-dependent Schr\"odinger 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.

Keywords

Cite

@article{arxiv.2408.00671,
  title  = {Absorbing Boundary Conditions for Variable Potential Schr\"odinger Equations via Titchmarsh-Weyl Theory},
  author = {Matthias Ehrhardt and Chunxiong Zheng},
  journal= {arXiv preprint arXiv:2408.00671},
  year   = {2024}
}