{
  "model": "Hchain",
  "lattice": "chain",
  "n_sites": 8,
  "boundary": "O",
  "params": {
    "N_up": 4,
    "N_dn": 4,
    "R": 1.51178,
    "basis": "STO-3G"
  },
  "instance_id": "Hchain/chain_8_O_R1.51178_sto3g",
  "rows": [
    {
      "energy": -4.24252,
      "sigma": null,
      "energy_variance": null,
      "dof": 8,
      "einf": null,
      "v_score": null,
      "method": "VQE",
      "ansatz": null,
      "method_detail": "UCCSD ansatz, TenCirChem",
      "method_as_published": "UCCSD (TenCirChem)",
      "family": "VQE / circuit",
      "bound_type": "variational",
      "bound_type_reason": "UCCSD unitary ansatz, energy is an expectation value (not in RULES list; text says error vs FCI, reducible with more excitations)",
      "reference": "Weitang Li, Jonathan Allcock, Lixue Cheng et al., TenCirChem: An Efficient Quantum Computational Chemistry Package for the NISQ Era, Journal of Chemical Theory and Computation 19, 3966-3981 (2023), arXiv:2303.10825, doi:10.1021/acs.jctc.3c00319",
      "peer_reviewed": true,
      "source": "track3-2026-10-20",
      "provenance": "primary",
      "verified": {
        "checked_on": "2026-10-20",
        "method": "source text of arXiv:2303.10825 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": "-4,242.52 mHa per total; R = 0.8 Å = 1.51178 bohr",
        "note": "Table 1; sources/2303.10825.txt line 658; version read: arXiv text; journal copy not reached (publisher returned HTTP 403 or a login page, 2026-10-21); read again when reachable (RULES.md §8) | Table 1 header line 650 'Energy Error (mH) (mH)'; line 636-637 'STO-3G ... interatomic distance set to 0.8 Å'; thousands separator comma: -2,167.55 mH = -2.16755 Ha | Unit mH printed in header only; inferred from magnitude and header. Boundary not stated, open assumed. Nuclear repulsion not stated. Table also prints error vs FCI in mH (would imply FCI = energy - error, not printed itself). | reader confidence medium",
        "secondary_of": null,
        "second_read": {
          "checked_on": "2026-10-24",
          "scope": "value",
          "method": "arXiv:2303.10825v2 (15 Jun 2023) PDF, own pypdf extraction (plain mode chosen by the layout/plain rule; file sources/2303.10825v2-layout.txt in the verify cache), cross-read against arXiv:2303.10825v1 PDF (layout mode, sources/2303.10825v1-layout.txt): Table 1 identical in v1 and v2. Journal version (J. Chem. Theory Comput. 19, 3966-3981 (2023), doi:10.1021/acs.jctc.3c00319) not reached: pubs.acs.org returned HTTP 403 for the landing page and the PDF on 2026-10-24; OpenAlex lists no open publisher copy (green OA = arXiv only).",
          "location": "Table 1, row H8, column 'Energy (mH)'; v2 text line 658 'H8 16 200 108 CPU 1.9 -4,242.52 0.88'; v1 layout line 1742",
          "reported_as": "-4,242.52 (mH), total energy of H8",
          "conversion": "-4,242.52 mHa = -4.24252 Ha total; stored eps -0.5303150000000001 x 8 = -4.24252 Ha",
          "note": "Instance: Table 1 caption + text lines 634-637 ('chains of increasing numbers of hydrogen atoms, using an STO-3G basis set. Atoms in each chain are uniformly distributed with an interatomic distance set to 0.8 Å'); 0.8 / 0.529177210903 = 1.511781 bohr -> R1.51178; neutral closed-shell (line 579 'Currently, TenCirChem only supports closed-shell molecules', RHF initial state) -> N_up = N_dn = 4; finite molecule -> O. Nuclear repulsion included: Eq. (1) line 96-100 'H = Σ hpq a†p aq + 1/2 Σ hpqrs a†p a†q ar as + Enuc', e_core line 580; this settles the stored note 'Nuclear repulsion not stated' (that note can be updated). QMBL FCI (fci/results.jsonl, pyscf, R = 0.8 Å STO-3G, E_nuc included) -4.2433910 Ha; printed UCCSD - QMBL FCI = 0.8710 mHa vs printed 'Error (mH)' 0.88. Row lies above FCI (variational, consistent). bound_type variational agrees (VQE/UCCSD expectation value from the exact 'civector' engine, lines 629-631; L-BFGS-B minimum, lines 583-586). 108 parameters (Table 1). Own computation by the authors with their library; code link URL and quote at lines 474-475 confirmed. peer_reviewed true confirmed by Crossref (JCTC 19(13) 3966-3981, published 2023-06-15). No other row on the instance in passes/track3/sweep-rows-2026-10-20-hydrogen.json; data/Hchain does not exist (track 3 not loaded): no duplicate. reported_as format ('mHa per total; R = ...') is the generator's suffix; the printed cell is '-4,242.52' under 'Energy (mH)'.",
          "secondary_of": null,
          "source_entry": "h-p-2303-10825#2 (qmbl-verify 2026-10-23/24, verified)"
        }
      },
      "artifacts": {
        "code": "https://github.com/tencent-quantum-lab/TenCirChem",
        "read_from": {
          "quote": "The source code is hosted on the GitHub repository https://github. com/tencent-quantum-lab/TenCirChem.",
          "location": "2.5 Installing and contributing to TenCirChem (sources/2303.10825.txt, lines 474-475)",
          "checked_on": "2026-10-22",
          "pass": "passes/track3/code-links-2026-10-22-hydrogen.json"
        }
      },
      "sampled": false,
      "corrections": [
        {
          "field": "sampled",
          "to": false,
          "reported_as": "-4,242.52 mHa per total; R = 0.8 Å = 1.51178 bohr",
          "location": "Table 1; sources/2303.10825.txt line 658; version read: arXiv text; journal copy not reached (publisher returned HTTP 403 or a login page, 2026-10-21); read again when reachable (RULES.md §8)",
          "checked_on": "2026-10-20",
          "reason": "Deterministic, not a Monte Carlo estimate, as the track-3 reader recorded it (pass row `sampled`); the method string alone reads the other way (units.mjs, isSampled).",
          "source_entry": "passes/track3/sweep-rows-2026-10-20-hydrogen.json"
        }
      ]
    }
  ],
  "url": "https://qmbl.org/i/Hchain/chain_8_O_R1.51178_sto3g/",
  "per_site_divisor": 8,
  "per_site_label": "E/N (Ha)",
  "best": {
    "exact": null,
    "variational": {
      "energy": -4.24252,
      "sigma": null,
      "method": "VQE",
      "ansatz": null,
      "method_detail": "UCCSD ansatz, TenCirChem",
      "reference": "Weitang Li, Jonathan Allcock, Lixue Cheng et al., TenCirChem: An Efficient Quantum Computational Chemistry Package for the NISQ Era, Journal of Chemical Theory and Computation 19, 3966-3981 (2023), arXiv:2303.10825, doi:10.1021/acs.jctc.3c00319",
      "bound_type": "variational",
      "energy_per_site": -0.530315
    },
    "projected": null,
    "extrapolated": null,
    "approximate": null,
    "below_exact": []
  },
  "no_best_reason": null,
  "record": {
    "energy": -4.24252,
    "sigma": null,
    "method": "VQE",
    "ansatz": null,
    "method_detail": "UCCSD ansatz, TenCirChem",
    "reference": "Weitang Li, Jonathan Allcock, Lixue Cheng et al., TenCirChem: An Efficient Quantum Computational Chemistry Package for the NISQ Era, Journal of Chemical Theory and Computation 19, 3966-3981 (2023), arXiv:2303.10825, doi:10.1021/acs.jctc.3c00319",
    "bound_type": "variational",
    "energy_per_site": -0.530315
  },
  "no_record_reason": null
}