Real-Space Chemistry on Quantum Computers: A Fault-Tolerant Algorithm with Adaptive Grids and Transcorrelated Extension
Fuente:
arXiv
Guardado en:
| Autores principales: | Feniou, César, Cherfan, Christopher, Zylberman, Julien, Claudon, Baptiste, Piquemal, Jean-Philip, Giner, Emmanuel |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
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| Materias: | |
| Acceso en línea: | |
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