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A way to detect bad iDMRG convergence stemming from the presence of a domain wall. #243

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tomohiro-soejima opened this issue May 4, 2023 · 0 comments
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@tomohiro-soejima
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This issue is half-way between a documentation improvement and a feature request. The main problem I want to address is the follwing:

Sometimes iDMRG can converge to a state with a domain wall, and this wreaks havoc on the algorithm. Two things that go particularly wrong:

  1. E_DMRG and E_MPO will be different. Sometimes the difference is as large as the norm of the Hamiltonian itself!
  2. norm_err does not go down even though the state itself is converged.
    I have detailed this observation in this pull request: Add a notebook about how a domain wall can cause bad behavior. tenpy_notebooks#2

With this in mind, my requests are

  1. Can you take a look at the notebook, and comment if the content looks appropriate?
  2. Can we brainstorm about ways to detect the behavior coming from a domain wall?
    a. I can imagine reporting the difference between E_DMRG and E_MPO and emitting a warning might be a good way to start (although I understand computing E_MPO is often prohibitively expensive).
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