files / problems / simon-ionization-excess / compute / q4 / certs / smallz.json

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{
  "not_a_new_bound": true,
  "is_new_bound": false,
  "status": "residue",
  "record": [
    "Lieb Phys. Rev. A 29 (1984): Nc < 2Z+1",
    "Nam arXiv:1009.2367v3: Nc < 1.22 Z + 3 Z^{1/3}",
    "HPS arXiv:2504.18487v1 Prop. 2.4\u20132.5 (printed remainders)",
    "q1 remainder tightening 2.953 / 3.892 / 3.9781",
    "q3 dent (Z>=4): N_c < 1.1118 Z + 3.966 Z^{1/3} via beta3 >= 0.899526"
  ],
  "constants": {
    "b2": 1.2071067811865475,
    "b3": 1.1184337992027067,
    "q3_leading": 1.1118,
    "q3_Z4_remainder": 3.966
  },
  "at": [
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      },
      "hps_s2_printed": {
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      },
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      "q3_simp_printed": null,
      "best_published_name": "lieb",
      "best_published_nmax": 4,
      "best_including_q3_name": "lieb",
      "best_including_q3_nmax": 4,
      "q3_excludes_extra_vs_published": false,
      "unsettled": [
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    {
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        "U": 7.986748710922225,
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      "hps_s3_printed": null,
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      "hps_simp_q1": null,
      "q3_simp_printed": null,
      "best_published_name": "lieb",
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      "best_including_q3_name": "lieb",
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    {
      "Z": 4,
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        "U": 9.642203155904598,
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      "hps_s2_printed": {
        "U": 9.52713423857206,
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      "hps_s3_printed": {
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      "hps_s3_q1": {
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      "hps_simp_printed": {
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    {
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      "hps_simp_q1": {
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      "best_published_name": "lieb",
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      "best_including_q3_name": "lieb",
      "best_including_q3_nmax": 10,
      "q3_excludes_extra_vs_published": false,
      "unsettled": [
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    },
    {
      "Z": 6,
      "lieb": {
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      "nam": {
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      "hps_s2_q1": {
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      "hps_s3_printed": {
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      "hps_s3_q1": {
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      "hps_simp_printed": {
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      "hps_simp_q1": {
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      "q3_simp_printed": {
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      "best_published_name": "hps_s2_q1",
      "best_published_nmax": 12,
      "best_including_q3_name": "hps_s2_q1",
      "best_including_q3_nmax": 12,
      "q3_excludes_extra_vs_published": false,
      "unsettled": [
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      ]
    }
  ],
  "q3_integer_exclusion_at_Z_ge_4": {
    "any_extra_integer_excluded_vs_lieb_nam_hps_printed": false,
    "by_Z": [
      {
        "Z": 4,
        "published_nmax": 8,
        "with_q3_nmax": 8,
        "extra_excluded": false
      },
      {
        "Z": 5,
        "published_nmax": 10,
        "with_q3_nmax": 10,
        "extra_excluded": false
      },
      {
        "Z": 6,
        "published_nmax": 12,
        "with_q3_nmax": 12,
        "extra_excluded": false
      }
    ]
  },
  "finite_Z_try": {
    "nam_lemma1_at_lieb_edge_and_Z2_candidates": [
      {
        "Z": 2,
        "N": 4,
        "alpha_lower": 0.5590169943749475,
        "lhs_lower": 1.6770509831248424,
        "lemma1_rhs": 2.539716357669188,
        "contradiction": false,
        "margin": 0.8626653745443456
      },
      {
        "Z": 3,
        "N": 6,
        "alpha_lower": 0.5590169943749475,
        "lhs_lower": 2.7950849718747373,
        "lemma1_rhs": 3.6178210015629273,
        "contradiction": false,
        "margin": 0.82273602968819
      },
      {
        "Z": 4,
        "N": 8,
        "alpha_lower": 0.5590169943749475,
        "lhs_lower": 3.913118960624632,
        "lemma1_rhs": 4.68,
        "contradiction": false,
        "margin": 0.7668810393753676
      },
      {
        "Z": 5,
        "N": 10,
        "alpha_lower": 0.5590169943749475,
        "lhs_lower": 5.031152949374527,
        "lemma1_rhs": 5.73250779461084,
        "contradiction": false,
        "margin": 0.7013548452363132
      },
      {
        "Z": 6,
        "N": 12,
        "alpha_lower": 0.574653828931107,
        "lhs_lower": 6.321192118242177,
        "lemma1_rhs": 6.778405684936265,
        "contradiction": false,
        "margin": 0.4572135666940884
      },
      {
        "Z": 2,
        "N": 3,
        "alpha_lower": 0.5590169943749475,
        "lhs_lower": 1.118033988749895,
        "lemma1_rhs": 2.6538198052060253,
        "contradiction": false,
        "margin": 1.5357858164561304
      },
      {
        "Z": 2,
        "N": 4,
        "alpha_lower": 0.5590169943749475,
        "lhs_lower": 1.6770509831248424,
        "lemma1_rhs": 2.539716357669188,
        "contradiction": false,
        "margin": 0.8626653745443456
      }
    ],
    "he4_hylleraas_product": {
      "separated_He_plus_2H": {
        "trial": "He_Hylleraas_at_infinity_plus_2H_1s",
        "Z": 2,
        "N": 4,
        "energy_upper": -3.8911170212765955,
        "hylleraas_core_exact": -2.8911170212765955,
        "hydrogenic_1s_exact": -0.5
      },
      "compact_attempt": {
        "trial": "Hylleraas_1s2_times_exp(-zeta(r3+r4))^2_outer_1s_only",
        "best_energy_if_repulsion_ignored": -5.738768755651595,
        "best_zeta": 1.6853750000000003,
        "valid_variational_upper": false,
        "reason": "core\u2013outer repulsion omitted; energy too negative"
      },
      "q1_three_electron_hydrogenic_1s2_2s_upper": -7.289057803205487,
      "separated_upper_above_N3_upper": true,
      "proves_N4_nonbinding": false,
      "note": "Separated He+2H gives a legal upper bound E(4,2) <= -54353/18800 - 1. Comparing to the q1 N=3 hydrogenic upper does not prove E(4,2) >= E(3,2). Variational uppers alone cannot prove non-binding."
    }
  },
  "N0_minus_Z": {
    "can_move_this_session": false,
    "reason": "No verified integer envelope beats Lieb at Z=2..6. The q3 leading dent is Z>=4 and does not tighten integer caps. A leading coefficient >1 cannot prove a Z-independent excess bound on N0(Z)-Z."
  },
  "punch": "Best published integer bound at Z=2..6 remains Lieb Nc<=2Z. The q3 simplified envelope 1.1118 Z + 3.966 Z^{1/3} beats the printed HPS leading at Z>=4 as reals but excludes no extra integer N beyond Lieb/Nam/HPS printed. Nam Lemma 1 at the Lieb edge and a four-electron Hylleraas product trial for Z=2, N=4 do not yield a dent. N0(Z)-Z bounded cannot move here."
}