Krylov subspace methods for the Dirac equation
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Publication:310844
DOI10.1016/J.CPC.2014.11.008zbMATH Open1344.81009arXiv1407.7370OpenAlexW1970337650MaRDI QIDQ310844FDOQ310844
Authors: Randolf Beerwerth, Heiko Bauke 
Publication date: 8 September 2016
Published in: Computer Physics Communications (Search for Journal in Brave)
Abstract: The Lanczos algorithm is evaluated for solving the time-independent as well as the time-dependent Dirac equation with arbitrary electromagnetic fields. We demonstrate that the Lanczos algorithm can yield very precise eigenenergies and allows very precise time propagation of relativistic wave packets. The unboundedness of the Dirac Hamiltonian does not hinder the applicability of the Lanczos algorithm. As the Lanczos algorithm requires only matrix-vector products and inner products, which both can be efficiently parallelized, it is an ideal method for large-scale calculations. The excellent parallelization capabilities are demonstrated by a parallel implementation of the Dirac Lanczos propagator utilizing the Message Passing Interface standard.
Full work available at URL: https://arxiv.org/abs/1407.7370
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Time-dependent Schrödinger equations and Dirac equations (35Q41) Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Software, source code, etc. for problems pertaining to quantum theory (81-04)
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Cited In (16)
- A simple pseudospectral method for the computation of the time-dependent Dirac equation with perfectly matched layers
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- Numerical solutions of the time‐dependent Schrödinger equation with position‐dependent effective mass
- Exact solutions for a Dirac-type equation with N-fold Darboux transformation
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