{
  "density_tolerance": 1e-12,
  "energy_tolerance_Eh": 1e-13,
  "final_basis_size": 8,
  "final_iterations": 16,
  "final_occupied_energy_Eh": -0.917732772323599,
  "final_total_energy_Eh": -2.861492180485973,
  "license": "MIT",
  "minimal_demonstrator_basis_size": 2,
  "model": "closed-shell helium RHF in one-centre s-Gaussian bases",
  "nuclear_charge": 2.0,
  "numpy": "2.3.5",
  "outputs": [
    "hartree-fock-helium-basis-convergence.csv",
    "hartree-fock-helium-scf-history.csv",
    "hartree-fock-helium-minimal-matrices.json",
    "hartree-fock-helium-metadata.json"
  ],
  "platform": "Windows-11-10.0.26200-SP0",
  "published_exponent_order": [
    0.6,
    1.8,
    0.2,
    5.4,
    16.2,
    48.6,
    145.8,
    437.4
  ],
  "python": "3.12.13",
  "random_seed": null,
  "reference_values": {
    "helium_exact_nonrelativistic_clamped_nucleus": {
      "energy_Eh": -2.9037243770341195,
      "source_doi": "10.1002/qua.10344"
    },
    "helium_hartree_fock_limit": {
      "energy_Eh": -2.861679995612239,
      "source_doi": "10.2477/jccjie.2024-0032"
    }
  },
  "units": "Hartree atomic units",
  "validation": {
    "basis_energy_nonincreasing": true,
    "basis_monotonic_max_delta_Eh": -0.000432289687768872,
    "closed_shell_orbital_relation": true,
    "closed_shell_total_relation": true,
    "coulomb_double_counting_relation": true,
    "density_electron_count": true,
    "density_idempotency_norm": 4.40570620609461e-15,
    "density_metric_idempotency": true,
    "double_counting_relation_error_Eh": 8.881784197001252e-16,
    "eri_permutation_symmetry": true,
    "eri_symmetry_max_error": 1.7763568394002505e-15,
    "finite_basis_above_exact": true,
    "finite_basis_above_hf_limit": true,
    "finite_basis_gap_to_exact_Eh": 0.04223219654814647,
    "fock_commutator": true,
    "generalized_eigenpair": true,
    "hartree_fock_correlation_energy_magnitude_Eh": 0.042044381421880495,
    "hf_basis_error_Eh": 0.00018781512626597774,
    "orbital_relation_error_Eh": 1.1102230246251565e-16,
    "overlap_normalization": true,
    "overlap_normalization_error": 2.886579864025407e-15,
    "total_relation_error_Eh": 8.881784197001252e-16
  }
}