Published November 7, 2025
| Version v2
Dataset
Open
Supporting Information for "Modal Backflow Neural Quantum States for Anharmonic Vibrational Calculations"
Authors/Creators
- 1. Department of Chemistry and Applied Biosciences, ETH Zurich
Description
This data set contains data and codes for reproducing anharmonic vibrational calculations using modal backflow neural quantum states for randomized Watson Hamiltonians and ab initio molecules (chlorine dioxide, formaldehyde, and acetonitrile).
Files
nqs4vib.zip
Files
(8.0 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:0157d5e70080f1d156fdb49087cd0d88
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8.0 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Preprint: 10.48550/arXiv.2511.03061 (DOI)
Software
- Programming language
- Python