A Transcorrelated Wave-Function Framework for Solids: An Application to Bulk and Defected Silicon
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arXiv
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| Main Authors: | Simula, Kristoffer, Hauskrecht, Johannes, Christlmaier, Evelin Martine Corvid, Lopez-Rios, Pablo, Kats, Daniel, Usvyat, Denis, Alavi, Ali |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | |
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