# Chemistry Bond Energies Benchmark (Public Export)

Date: 2026-02-27
Originator: FluxMateria
Machine-readable artifacts: `chemistry_bond_energies_benchmark.json`, `chemistry_bond_energies_benchmark.csv`

## Methodology

Bond dissociation energies predicted from first principles using the FluxMateria geometric engine.
Single bonds, double bonds, and triple bonds all covered. Zero fitted parameters.

## Headline Metrics

| Metric | Value |
|---|---|
| Bonds validated | 906 |
| Mean \|error\| | 0.2893% |
| Max \|error\| | 6.9738% |
| Within 1.0% | 870/906 (96%) |

## Top-10 Largest Errors

| Bond | Pred (eV) | Exp (eV) | Error% |
|---|---|---|---|
| Hg-I | 0.3851 | 0.3600 | +6.974% |
| Be-Be | 0.0944 | 0.1000 | -5.642% |
| K-Rb | 0.5777 | 0.5490 | +5.223% |
| Rb-Cs | 0.5331 | 0.5080 | +4.941% |
| Na-K | 0.6976 | 0.6740 | +3.504% |
| Na-Cs | 0.6426 | 0.6220 | +3.310% |
| Tl-Tl | 0.4403 | 0.4300 | +2.404% |
| Cs-Cs | 0.4403 | 0.4500 | -2.147% |
| Pb-Au | 1.4027 | 1.3780 | +1.795% |
| K-Cs | 0.5484 | 0.5390 | +1.747% |

## Sources

1. CRC Handbook of Chemistry and Physics, 97th Edition.
2. M.D. Morse et al., Utah Morse R2PI spectroscopy (TM dimers).
3. Y.-R. Luo, Comprehensive Handbook of Chemical Bond Energies, CRC Press, 2007.
4. NIST Chemistry WebBook, webbook.nist.gov.