Supporting Information for "Modal Backflow Neural Quantum States for Anharmonic Vibrational Calculations"

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Ding, Lexin, Reiher, Markus
DOI: 10.5281/zenodo.17552425
Cited by: 1

Abstract

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).

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
12 March 2026
Document type
Dataset