Multiple extremal eigenpairs by the power method

  • Authors:

  • J. E. Gubernatis;T. E. Booth

  • Affiliations:

  • Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA;Applied Physics Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA

  • Venue:
  • Journal of Computational Physics
  • Year:
  • 2008

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Abstract

We report the production and benchmarking of several refinements of the power method that enable the computation of multiple extremal eigenpairs of very large matrices. In these refinements we used an observation by Booth that has made possible the calculation of up to the 10th eigenpair for simple test problems simulating the transport of neutrons in the steady state of a nuclear reactor. Here, we summarize our techniques and efforts to-date on determining mainly just the two largest or two smallest eigenpairs. To illustrate the effectiveness of the techniques, we determined the two extremal eigenpairs of a cyclic matrix, the transfer matrix of the two-dimensional Ising model, and the Hamiltonian matrix of the one-dimensional Hubbard model.