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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 thenrun
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.
Show a PL implementation of a recent paper.*
Chemistry researchers
X-ray absorption spectroscopy, compressed double-factorized Hamiltonians, time-domain, optimization, product formulas, commercial application, battery cathodes
(more details here)