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Demo: X-ray Absorption Spectroscopy #1390

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Before submitting

Please complete the following checklist when submitting a PR:

  • Ensure that your tutorial executes correctly, and conforms to the
    guidelines specified in the README.

  • Remember to do a grammar check of the content you include.

  • All tutorials conform to
    PEP8 standards.
    To auto format files, simply pip install black, and then
    run black -l 100 path/to/file.py.

When all the above are checked, delete everything above the dashed
line and fill in the pull request template.


Title:

Summary:

Relevant references:

Possible Drawbacks:

Related GitHub Issues:


If you are writing a demonstration, please answer these questions to facilitate the marketing process.

  • GOALS — Why are we working on this now?

Show a PL implementation of a recent paper.*

  • AUDIENCE — Who is this for?

Chemistry researchers

  • KEYWORDS — What words should be included in the marketing post?

X-ray absorption spectroscopy, compressed double-factorized Hamiltonians, time-domain, optimization, product formulas, commercial application, battery cathodes

  • Which of the following types of documentation is most similar to your file?
    (more details here)
  • Tutorial
  • Demo
  • How-to

@colinjdale colinjdale self-assigned this May 30, 2025
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github-actions bot commented Jun 2, 2025

Thank you for opening this pull request.

You can find the built site at this link.

Deployment Info:

  • Pull Request ID: 1390
  • Deployment SHA: 523972c378eeac83725a7722f04f05109ebe2245
    (The Deployment SHA refers to the latest commit hash the docs were built from)

Note: It may take several minutes for updates to this pull request to be reflected on the deployed site.

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