Quantum circuit and mapping algorithms for wavepacket dynamics: case study of anharmonic hydrogen bonds in protonated and hydroxide water clusters
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arXiv
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| Main Authors: | Saha, Debadrita, Richerme, Philip, Iyengar, Srinivasan S. |
|---|---|
| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | |
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