{
  "model": "Hchain",
  "lattice": "chain",
  "n_sites": 10,
  "boundary": "O",
  "params": {
    "N_up": 5,
    "N_dn": 5,
    "R": 1,
    "basis": "aug-cc-pVQZ"
  },
  "instance_id": "Hchain/chain_10_O_R1_augccpvqz",
  "rows": [
    {
      "energy": -4.1566,
      "sigma": null,
      "energy_variance": null,
      "dof": 10,
      "einf": null,
      "v_score": null,
      "method": "HF",
      "ansatz": null,
      "method_detail": "",
      "method_as_published": "HF",
      "family": "mean field",
      "bound_type": "variational",
      "bound_type_reason": "the energy of a stated wave function (Hartree-Fock, DMRG at a stated bond dimension, MRCI, VMC, a neural-network state); an upper bound in the instance's basis (RULES.md 13.4; assigned during source reading)",
      "reference": "M. Motta, C. Genovese, F. Ma, Z.-H. Cui, R. Sawaya, G. K.-L. Chan, N. Chepiga, P. Helms, C. Jiménez-Hoyos, A. J. Millis, U. Ray, E. Ronca, H. Shi, S. Sorella, E. M. Stoudenmire, S. R. White & S. Zhang, Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases, Phys. Rev. X 10, 031058 (2020), arXiv:1911.01618, doi:10.1103/PhysRevX.10.031058",
      "peer_reviewed": true,
      "source": "track3-2026-10-20",
      "provenance": "primary",
      "verified": {
        "checked_on": "2026-10-20",
        "method": "source text of arXiv:1911.01618 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading",
        "reported_as": "-0.41566 per atom (HF column)",
        "note": "SI Table III, row \"aug-QZ\" (NAO 460), HF column; sources/1911.01618-anc-si.txt line 1275; version read: APS Supplemental Material (si.pdf, sources/1911.01618-PhysRevX.10.031058-si.txt) and the arXiv ancillary SI; identical | Hartree per atom, total energy with nuclear repulsion: the cc-pVDZ HF value -0.40101 matches RHF/cc-pVDZ of the 2017 data set (-4.010066006349 for H10).",
        "secondary_of": null,
        "second_read": {
          "checked_on": "2026-10-24",
          "scope": "value",
          "method": "APS Supplemental Material of Phys. Rev. X 10, 031058 (si.pdf, published 2020-09-14; text identical byte for byte to the arXiv:1911.01618v2 ancillary SI) and arXiv:1911.01618v1 ancillary SI; pypdf layout mode (extract.py); same numbers in both",
          "location": "SI Sec. D.1 \"Gaussian basis convergence\", Table III (H10 molecule at OBC, R = 1.0 aB), row aug-QZ (NAO 460), HF column; APS SI p. 21 (text line 1216), arXiv v1 anc SI p. 20 (line 1295)",
          "reported_as": "-0.41566 (HF column, per atom, Hartrees)",
          "conversion": "-0.41566 x 10 = -4.1566 Ha",
          "note": "Instance: H10 equally spaced, open, R = 1.0 bohr, neutral closed shell (caption 'H10 molecule at OBC (R = 1.0 aB)'); basis label aug-QZ (NAO 460) matches aug-cc-pVQZ by NAO (aug-cc-pVQZ has 46 spherical functions per H). Correlation energy row allowed (13.3): reference HF printed in the same row. bound_type variational (RULES 13.4: RHF/UHF variational) agrees. Own computation, peer reviewed (PRX 10, 031058). No sigma in source (deterministic). Not a duplicate: no other row on this instance has this method. No independent same-method value exists on this instance to cross-check the Hamiltonian; see the ambiguous entries on the cc-pVxZ HF rows for the same table.",
          "secondary_of": null,
          "source_entry": "h-p-1911-01618#11 (qmbl-verify 2026-10-23/24, verified)"
        }
      }
    },
    {
      "energy": -4.3918,
      "sigma": null,
      "energy_variance": null,
      "dof": 10,
      "einf": null,
      "v_score": null,
      "method": "MP2",
      "ansatz": null,
      "method_detail": "HF reference",
      "method_as_published": "MP2 [HF reference]",
      "family": "FCIQMC / CC",
      "bound_type": "approximate",
      "bound_type_reason": "finite-order perturbation theory, GW, or a perturbative correction to coupled cluster (track 3, 2026-10-21); error of unknown sign (RULES.md 13.4; assigned during source reading)",
      "reference": "M. Motta, C. Genovese, F. Ma, Z.-H. Cui, R. Sawaya, G. K.-L. Chan, N. Chepiga, P. Helms, C. Jiménez-Hoyos, A. J. Millis, U. Ray, E. Ronca, H. Shi, S. Sorella, E. M. Stoudenmire, S. R. White & S. Zhang, Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases, Phys. Rev. X 10, 031058 (2020), arXiv:1911.01618, doi:10.1103/PhysRevX.10.031058",
      "peer_reviewed": true,
      "source": "track3-2026-10-20",
      "provenance": "primary",
      "verified": {
        "checked_on": "2026-10-20",
        "method": "source text of arXiv:1911.01618 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading",
        "reported_as": "HF -0.41566 + MP2 correlation -0.02352 per atom",
        "note": "SI Table III, row \"aug-QZ\" (NAO 460), HF and MP2 columns; sources/1911.01618-anc-si.txt line 1275; version read: APS Supplemental Material (si.pdf, sources/1911.01618-PhysRevX.10.031058-si.txt) and the arXiv ancillary SI; identical | Hartree per atom, total energy with nuclear repulsion: the cc-pVDZ HF value -0.40101 matches RHF/cc-pVDZ of the 2017 data set (-4.010066006349 for H10).",
        "secondary_of": null,
        "second_read": {
          "checked_on": "2026-10-24",
          "scope": "value",
          "method": "APS Supplemental Material of Phys. Rev. X 10, 031058 (si.pdf, published 2020-09-14; text identical byte for byte to the arXiv:1911.01618v2 ancillary SI) and arXiv:1911.01618v1 ancillary SI; pypdf layout mode (extract.py); same numbers in both",
          "location": "SI Sec. D.1 \"Gaussian basis convergence\", Table III (H10 molecule at OBC, R = 1.0 aB), row aug-QZ (NAO 460), HF and MP2 columns; APS SI p. 21 (text line 1216), arXiv v1 anc SI p. 20 (line 1295)",
          "reported_as": "HF -0.41566, MP2 correlation -0.02352 (per atom, Hartrees)",
          "conversion": "(-0.41566) + (-0.02352) = -0.43918 per atom; x 10 = -4.3918 Ha",
          "note": "Instance: H10 equally spaced, open, R = 1.0 bohr, neutral closed shell (caption 'H10 molecule at OBC (R = 1.0 aB)'); basis label aug-QZ (NAO 460) matches aug-cc-pVQZ by NAO (aug-cc-pVQZ has 46 spherical functions per H). Correlation energy row allowed (13.3): reference HF printed in the same row. bound_type approximate (13.4: finite-order PT) agrees. Own computation, peer reviewed (PRX 10, 031058). No sigma in source (deterministic). Not a duplicate: no other row on this instance has this method (the 2017 data set has no MP2). No independent same-method value exists on this instance to cross-check the Hamiltonian; see the ambiguous entries on the cc-pVxZ HF rows for the same table.",
          "secondary_of": null,
          "source_entry": "h-p-1911-01618#12 (qmbl-verify 2026-10-23/24, verified)"
        }
      },
      "sampled": false,
      "corrections": [
        {
          "field": "sampled",
          "to": false,
          "reported_as": "HF -0.41566 + MP2 correlation -0.02352 per atom",
          "location": "SI Table III, row \"aug-QZ\" (NAO 460), HF and MP2 columns; sources/1911.01618-anc-si.txt line 1275; version read: APS Supplemental Material (si.pdf, sources/1911.01618-PhysRevX.10.031058-si.txt) and the arXiv ancillary SI; identical",
          "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_10_O_R1_augccpvqz/",
  "per_site_divisor": 10,
  "per_site_label": "E/N (Ha)",
  "best": {
    "exact": null,
    "variational": {
      "energy": -4.1566,
      "sigma": null,
      "method": "HF",
      "ansatz": null,
      "method_detail": "",
      "reference": "M. Motta, C. Genovese, F. Ma, Z.-H. Cui, R. Sawaya, G. K.-L. Chan, N. Chepiga, P. Helms, C. Jiménez-Hoyos, A. J. Millis, U. Ray, E. Ronca, H. Shi, S. Sorella, E. M. Stoudenmire, S. R. White & S. Zhang, Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases, Phys. Rev. X 10, 031058 (2020), arXiv:1911.01618, doi:10.1103/PhysRevX.10.031058",
      "bound_type": "variational",
      "energy_per_site": -0.41566000000000003
    },
    "projected": null,
    "extrapolated": null,
    "approximate": {
      "energy": -4.3918,
      "sigma": null,
      "method": "MP2",
      "ansatz": null,
      "method_detail": "HF reference",
      "reference": "M. Motta, C. Genovese, F. Ma, Z.-H. Cui, R. Sawaya, G. K.-L. Chan, N. Chepiga, P. Helms, C. Jiménez-Hoyos, A. J. Millis, U. Ray, E. Ronca, H. Shi, S. Sorella, E. M. Stoudenmire, S. R. White & S. Zhang, Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases, Phys. Rev. X 10, 031058 (2020), arXiv:1911.01618, doi:10.1103/PhysRevX.10.031058",
      "bound_type": "approximate",
      "energy_per_site": -0.43918
    },
    "below_exact": []
  },
  "no_best_reason": null,
  "record": {
    "energy": -4.1566,
    "sigma": null,
    "method": "HF",
    "ansatz": null,
    "method_detail": "",
    "reference": "M. Motta, C. Genovese, F. Ma, Z.-H. Cui, R. Sawaya, G. K.-L. Chan, N. Chepiga, P. Helms, C. Jiménez-Hoyos, A. J. Millis, U. Ray, E. Ronca, H. Shi, S. Sorella, E. M. Stoudenmire, S. R. White & S. Zhang, Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases, Phys. Rev. X 10, 031058 (2020), arXiv:1911.01618, doi:10.1103/PhysRevX.10.031058",
    "bound_type": "variational",
    "energy_per_site": -0.41566000000000003
  },
  "no_record_reason": null
}