# Paper 1 data

Generated by `four/papers/p1/build.mjs` from `four/atom/js/table.js` (baked by `four/atom/tools/bake.mjs` from
`four/atom/js/atom.js`). Do not edit; rebuild. Atomic units throughout (hartree, bohr) unless a field says eV.

- `table4.json` / `.csv`: the 4D table, 140 elements (Z = 1–140), with open subshells' terms resolved (section 6): the d- and f-block elements searched again and every candidate's energy corrected where Hund's first rule fails (`termtable.json`).
- `table4-hundspin.json` / `.csv`: supplement S1, the same table with every open subshell given Hund spins (the bake as it stands, `atom/js/table.js`).
- `table3.json` / `.csv`: the same solver in three dimensions, 36 elements, beside the measured values.

| field | meaning |
|---|---|
| `Z` | nuclear charge (a point nucleus, declared stable) |
| `name`, `symbol` | 4D: our element's name with its first letter moved on, where the element answers to one of ours (`atom/js/names.js`); `null` for the elements with no counterpart. 3D: ours |
| `counterpart` | 4D only: which of our elements it answers to, by its place in the table, or `null` |
| `period`, `block` | its row (rows end at the noble gases) and its block (s, p, d, f) |
| `noble` | every occupied subshell full and its outermost electron a p (or 1s²) |
| `config` | the ground configuration the solver found (lowest total energy among converged fields) |
| `E_hartree` | total energy of the neutral atom |
| `ion_hartree`, `ion_eV` | first ionization energy, E(Z, Z−1 electrons) − E(Z, Z) |
| `outermost` | the subshell the ionized electron leaves |
| `electron_affinity_eV` | E(neutral) − E(anion), the anion searched for its own ground state (runner run ions-1); bound if positive, `null` if no anion settled. In ours it is trustworthy above about 0.7 eV and fails for H⁻ and the alkalis (section 6) |
| `cation_rearranged` | 4D main table: where the ion's own ground state is lower than taking one electron from the atom's configuration, its configuration (the ionization is that ion's) |
| `hund_correction_eV` | 4D main table only: the ground configuration's open subshells' term correction (lowest term − lowest maximum-spin term; 0 where Hund's first rule holds) |
| `orbitals` | per occupied subshell: occupation, orbital energy, ⟨r⟩, ⟨r²⟩. In the CSV, `<subshell><occ>:<e>:<⟨r⟩>`, space-separated |
| `config_measured` | 3D only: Madelung's order with chromium's and copper's exceptions |
| `config_match` | 3D only: the solver's configuration equals the measured one (as sets of subshells) |
| `ion_measured_eV`, `ion_error_pct` | 3D only: NIST's first ionization energy, and ours against it |

The model: V = −Z/r with the D-dimensional kinetic operator, spherically averaged Hartree field, local exchange from
the D-dimensional electron gas with an own-share correction, no correlation, non-relativistic. See `../OUTLINE.md`.