Controlling Effective Hamiltonians: Broadband Pulsed Dynamic Nuclear Polarization by Constrained Random Walk and Non-linear Optimization
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arXiv
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| Main Authors: | Nielsen, Anders B., Carvalho, Jose P., Wili, Nino, Jensen, Filip V., Goodwin, David L., Untidt, Thomas S., Tosner, Zdenek, Nielsen, Niels Chr. |
|---|---|
| Format: | Preprint |
| Published: |
2025
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