A new approach for determining the time step when propagating with the Lanczos algorithm

DOI10.1016/J.CPC.2010.07.020zbMATH Open1217.65135OpenAlexW2042931186MaRDI QIDQ548942FDOQ548942

Authors: Tucker jun. Carrington, N. Mohan Kumar 

Publication date: 30 June 2011

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2010.07.020

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zbMATH Keywords

Chebyshev expansionLanczos methodtime stepwavepacketstime-dependent Schroedinger equationunitary time evolution

Mathematics Subject Classification ID

Numerical methods for initial value problems involving ordinary differential equations (65L05)

Cites Work

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• A Fourier method solution for the time dependent Schrödinger equation as a tool in molecular dynamics
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• On monotonicity of the Lanczos approximation to the matrix exponential
• Solution of the Schrödinger equation by a spectral method
• Error Analysis of the Lanczos Algorithm for Tridiagonalizing a Symmetric Matrix
• Computational Variants of the Lanczos Method for the Eigenproblem
• Error estimates for Krylov subspace approximations of matrix exponentials
• On time-step bounds in unitary quantum evolution using the Lanczos method
• The Anderson Model of Localization: A Challenge for Modern Eigenvalue Methods

Cited In (4)

• A comparison of different propagation schemes for the time dependent Schrödinger equation
• On time-step bounds in unitary quantum evolution using the Lanczos method
• Estimating the critical time-step in explicit dynamics using the Lanczos method
• Computable upper error bounds for Krylov approximations to matrix exponentials and associated \(\varphi\)-functions

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