Krylov subspace methods for the Dirac equation

DOI10.1016/J.CPC.2014.11.008MaRDI QIDQ310844zbMATH OpenOpenAlexFDO

Authors Randolf Beerwerth, Heiko Bauke

Publication date 8 September 2016

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1407.7370

zbMATH Keywords

Krylov subspace methodsDirac equationLanczos algorithm

Mathematics Subject Classification ID

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)

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.

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Cited in

(16)

• A simple pseudospectral method for the computation of the time-dependent Dirac equation with perfectly matched layers
• scientific article; zbMATH DE number 5041940 (Why is no real title available?)
• 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
• A case study in scalability: An ADI method for the two-dimensional time-dependent Dirac equation
• Optimized spatial matrix representations of quantum Hamiltonians
• Galerkin method for unsplit 3-D Dirac equation using atomically/kinetically balanced B-spline basis
• Application of block Krylov subspace algorithms to the Wilson-Dirac equation with multiple right-hand sides in lattice QCD
• Dirac_Laczos
• Krylov subspace spectral methods for the time-dependent Schrödinger equation with non-smooth potentials
• Pseudospectral computational methods for the time-dependent Dirac equation in static curved spaces
• FFT-split-operator code for solving the Dirac equation in 2+1 dimensions
• Computational performance of simple and efficient sequential and parallel Dirac equation solvers
• Numerical method for unitary systems
• DiracSolver: a tool for solving the Dirac equation
• WKB method for the Dirac equation with a scalar-vector coupling

Describes a project that uses

Uses Software

• Dirac++
• Boost
• CUDA
• LAPACK
• ALTDSE

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