{
  "model": "Hchain",
  "lattice": "chain",
  "n_sites": 10,
  "boundary": "O",
  "params": {
    "N_up": 5,
    "N_dn": 5,
    "R": 1.41729,
    "basis": "STO-6G"
  },
  "instance_id": "Hchain/chain_10_O_R1.41729_sto6g",
  "rows": [
    {
      "energy": -5.22856,
      "sigma": null,
      "energy_variance": null,
      "dof": 10,
      "einf": null,
      "v_score": null,
      "method": "FCI",
      "ansatz": null,
      "method_detail": "",
      "method_as_published": "FCI",
      "family": "other",
      "bound_type": "exact",
      "bound_type_reason": "FCI in STO-6G",
      "reference": "Nicholas H. Stair, Francesco A. Evangelista, Exploring Hilbert space on a budget: Novel benchmark set and performance metric for testing electronic structure methods in the regime of strong correlation, The Journal of Chemical Physics 153, 104108 (2020), arXiv:2005.11349, doi:10.1063/5.0014928",
      "peer_reviewed": true,
      "source": "track3-2026-10-20",
      "provenance": "primary",
      "verified": {
        "checked_on": "2026-10-20",
        "method": "source text of arXiv:2005.11349 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading (Sonnet reader)",
        "reported_as": "−5.228560 Ha per total; R = 0.75 Å = 1.41729 bohr",
        "note": "Table I (H10 1D Chain, EFCI/Eh); sources/2005.11349.txt line 425; version read: arXiv text; no journal version found | column header 'EFCI /Eh' (line 424); H10 total of about -5.4 Eh implies nuclear repulsion is included; STO-6G stated line 323; r is nearest-neighbour H-H distance (line 375) | Nuclear repulsion not stated in text; inferred from magnitude. Ecorr column (-0.1082 etc.) not a row: HF reference energy not printed. Ring, 2D triangular sheet and pyramid rows are not in scope. | reader confidence medium",
        "secondary_of": null
      },
      "corrections": [
        {
          "field": "method",
          "from": "EFCI /Eh",
          "to": "FCI",
          "checked_on": "2026-10-24",
          "reported_as": "−5.228560",
          "location": "Table I column header 'EFCI /Eh' (E_FCI in units of Eh); Sec. III: 'Theground-statesingletenergies ... were calculated using FCI, ACI, and DMRG.' and 'FCI and ACI computations were performed using our open-source code Forte.144' (sources/2005.11349.txt lines 316-343)",
          "version_read": "arXiv:2005.11349v2 (19 Aug 2020; identical to the project copy sources/2005.11349.pdf, md5 dc52c737) and arXiv:2005.11349v1 (22 May 2020), pypdf layout mode; data release github.com/evangelistalab/hydrogen-models-data at commit 65d2e3c (2020-08-24), H_10_1Dchain_PECs/FCI_basis-STO6G.dat. Journal version J. Chem. Phys. 153, 104108 (2020), doi:10.1063/5.0014928, not reached: pubs.aip.org and doi.org returned HTTP 403 with a Cloudflare challenge to node fetch on 2026-10-24 (another group in this run got HTTP 429 from the automation browser the same day); OSTI copies (osti.gov/biblio/1658972, purl/1803730, both submitted versions per OpenAlex) not reachable from the sandbox.",
          "conversion": "none",
          "reason": "RULES §3: `method` is the method's name alone. 'EFCI /Eh' is the table's column header (energy symbol plus unit), not a method name; the paper names the method FCI, and every other exact track-3 row uses 'FCI'. Value confirmed: Table I, row 'H10 1DChain', r = 0.75 Å, column 'EFCI /Eh' prints '−5.228560' in v2 and v1 alike; data release FCI_basis-STO6G.dat line '0.750    -5.228560'; QMBL pyscf FCI (fci/results.jsonl, Hchain/chain_10_O_R1.41729_sto6g) gives -5.228559990 Ha, |diff| = 1.0e-8 Ha, S^2 = 1.9e-13 (singlet). Stored eps -0.522856 x 10 = -5.22856 Ha. R = 0.75 Å x 1.8897261 = 1.417295 bohr -> 1.41729. Geometry from chain_geom.py: 10 H atoms on z at ±r/2, ±3r/2, ..., ±9r/2 (equal spacing r, open chain). Nuclear repulsion included (agreement with the pyscf total, which includes E_nuc = 13.610214 Ha, to 1e-8). Basis STO-6G (Sec. III). Bound type exact (FCI in the basis) agrees with RULES §13.4. No other row on this instance in the track-3 pass file, the held file or data/ (data/Hchain does not exist): no duplicate.",
          "source_entry": "h-p-2005-11349#0 (qmbl-verify 2026-10-23/24, correction; skeptic upheld)"
        },
        {
          "field": "peer_reviewed",
          "from": null,
          "to": true,
          "checked_on": "2026-10-24",
          "reported_as": "Crossref 10.1063/5.0014928: 'Exploring Hilbert space on a budget: Novel benchmark set and performance metric for testing electronic structure methods in the regime of strong correlation', The Journal of Chemical Physics 153, 104108, issued 2020-09-09",
          "location": "api.crossref.org/works?query.bibliographic=... (2026-10-24); OpenAlex doi:10.1063/5.0014928 lists the JCP publishedVersion and PubMed 32933298",
          "version_read": "arXiv:2005.11349v2 (19 Aug 2020; identical to the project copy sources/2005.11349.pdf, md5 dc52c737) and arXiv:2005.11349v1 (22 May 2020), pypdf layout mode; data release github.com/evangelistalab/hydrogen-models-data at commit 65d2e3c (2020-08-24), H_10_1Dchain_PECs/FCI_basis-STO6G.dat. Journal version J. Chem. Phys. 153, 104108 (2020), doi:10.1063/5.0014928, not reached: pubs.aip.org and doi.org returned HTTP 403 with a Cloudflare challenge to node fetch on 2026-10-24 (another group in this run got HTTP 429 from the automation browser the same day); OSTI copies (osti.gov/biblio/1658972, purl/1803730, both submitted versions per OpenAlex) not reachable from the sandbox.",
          "conversion": "none",
          "reason": "The paper is published in J. Chem. Phys. 153, 104108 (2020). gen/refs.mjs sets peer_reviewed from the DOI field of the arXiv API entry, and this arXiv entry carries no DOI or journal_ref, so the publication was missed. The same cause makes the row's evidence string say 'no journal version found' (gen/readers.mjs line 77); with peer_reviewed true it would say 'journal copy not reached', which is the true state on 2026-10-24.",
          "source_entry": "h-p-2005-11349#1 (qmbl-verify 2026-10-23/24, correction; skeptic upheld)"
        },
        {
          "field": "reference",
          "from": "Nicholas H. Stair, Francesco A. Evangelista, Exploring Hilbert space on a budget: Novel benchmark set and performance metric for testing electronic structure methods in the regime of strong correlation, arXiv:2005.11349",
          "to": "Nicholas H. Stair, Francesco A. Evangelista, Exploring Hilbert space on a budget: Novel benchmark set and performance metric for testing electronic structure methods in the regime of strong correlation, The Journal of Chemical Physics 153, 104108 (2020), arXiv:2005.11349, doi:10.1063/5.0014928",
          "checked_on": "2026-10-24",
          "reported_as": "Crossref DOI 10.1063/5.0014928, container 'The Journal of Chemical Physics', volume 153, article 104108, issued 2020",
          "location": "Crossref record (2026-10-24)",
          "version_read": "arXiv:2005.11349v2 (19 Aug 2020; identical to the project copy sources/2005.11349.pdf, md5 dc52c737) and arXiv:2005.11349v1 (22 May 2020), pypdf layout mode; data release github.com/evangelistalab/hydrogen-models-data at commit 65d2e3c (2020-08-24), H_10_1Dchain_PECs/FCI_basis-STO6G.dat. Journal version J. Chem. Phys. 153, 104108 (2020), doi:10.1063/5.0014928, not reached: pubs.aip.org and doi.org returned HTTP 403 with a Cloudflare challenge to node fetch on 2026-10-24 (another group in this run got HTTP 429 from the automation browser the same day); OSTI copies (osti.gov/biblio/1658972, purl/1803730, both submitted versions per OpenAlex) not reachable from the sandbox.",
          "conversion": "none",
          "reason": "Reference lacks the journal citation and DOI (same cause as peer_reviewed: refs.mjs only reads the DOI from the arXiv API entry). Format follows the refs.mjs output for papers with a DOI.",
          "source_entry": "h-p-2005-11349#2 (qmbl-verify 2026-10-23/24, correction; skeptic upheld)"
        }
      ]
    }
  ],
  "url": "https://qmbl.org/i/Hchain/chain_10_O_R1.41729_sto6g/",
  "per_site_divisor": 10,
  "per_site_label": "E/N (Ha)",
  "best": {
    "exact": {
      "energy": -5.22856,
      "sigma": null,
      "method": "FCI",
      "ansatz": null,
      "method_detail": "",
      "reference": "Nicholas H. Stair, Francesco A. Evangelista, Exploring Hilbert space on a budget: Novel benchmark set and performance metric for testing electronic structure methods in the regime of strong correlation, The Journal of Chemical Physics 153, 104108 (2020), arXiv:2005.11349, doi:10.1063/5.0014928",
      "bound_type": "exact",
      "energy_per_site": -0.522856
    },
    "variational": null,
    "projected": null,
    "extrapolated": null,
    "approximate": null,
    "below_exact": []
  },
  "no_best_reason": null,
  "record": {
    "energy": -5.22856,
    "sigma": null,
    "method": "FCI",
    "ansatz": null,
    "method_detail": "",
    "reference": "Nicholas H. Stair, Francesco A. Evangelista, Exploring Hilbert space on a budget: Novel benchmark set and performance metric for testing electronic structure methods in the regime of strong correlation, The Journal of Chemical Physics 153, 104108 (2020), arXiv:2005.11349, doi:10.1063/5.0014928",
    "bound_type": "exact",
    "energy_per_site": -0.522856
  },
  "no_record_reason": null
}