Density-Functional Tight Binding Meets Maxwell: Unraveling the Mysteries of (Strong) Light-Matter Coupling Efficiently
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arXiv
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| Main Authors: | Sidler, Dominik, Bustamante, Carlos M., Bonafe, Franco P., Ruggenthaler, Michael, Sukharev, Maxim, Rubio, Angel |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
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