Which state are you converging? A spin audit of sample-based quantum diagonalization benchmarks on iron–sulfur clusters — supplementary code and data
Summary
This Zenodo entry provides data and code for a preprint on SQD/QSCI benchmarks for iron–sulfur clusters. It introduces spin-audit checks like exact ⟨S²⟩ and S²-Gram spectra to verify convergence to the target spin state. The findings show that the numerically stable lowest energy does not correspond to a singlet, and hardware sampling offers no clear energy advantage; the work emphasizes reporting spin moments as a core benchmark and includes a complete reproduction archive.