purestatelabs

4 ms·

1. 1.▲
   by purestatelabs 14d ago

   Thanks for digging up the old threads. The 1/2 you found is the reduced cluster: one extra electron turns one iron into Fe(II) with S = 2, and 5/2 coupled antiparallel to 2 leaves 1/2. This model is the oxidized form, two Fe(
2. 2.▲
   by purestatelabs 18d ago

   I've submitted the underlying paper here twice before as a Zenodo link, but it didn't get much discussion. I wrote this new post to be more accessible to non-chemists, plus a couple of things have happened since the last time. Fir
3. 3.▲
   Quantum computing's flagship chemistry results don't say which state they found(blog.purestatelabs.com)

   1 points by purestatelabs 18d ago|1 comments
4. 4.▲
   Spin audit of SQD/QSCI quantum-chemistry benchmarks on iron–sulfur clusters(zenodo.org)

   19 points by purestatelabs 2mo ago|1 comments
5. 5.▲
   by purestatelabs 2mo ago

   It's disclosed in the paper, not hidden. An AI agent ran the computations and tooling under my direction, and the disclosure says explicitly that agent-executed work should not be taken on trust. That's why every quantitative clai
6. 6.▲
   by purestatelabs 2mo ago

   1) Not physics. I came at this from the computing side and taught myself the chemistry. 2) +1 and -1. Trace 0, determinant -1, so λ² - 1. Eigenvectors (1,1)/√2 and (1,-1)/√2. Fair worry. Easier to run it than argue about it — two
7. 7.▲
   Spin audit of SQD/QSCI quantum-chemistry benchmarks on iron–sulfur clusters(zenodo.org)

   9 points by purestatelabs 2mo ago|6 comments