A Bound Helium Dianion Does Not Exist

A mix of human-written and AI-generated textHuman understanding: some partsmath-ph — Mathematical Physicsmath.SP — Spectral Theory

Contributed by Alec Shelley ↗, Daniel Tartakovsky ↗

Version 1 / Nov 03, 2026 / CC BY 4.0

Abstract

For a non-relativistic atom with ZZ protons and NN bound electrons, Lieb proved in 1984 that N<2Z+1N<2Z+1. Several improved bounds have been developed, but they all leave open the question of whether a bound helium dianion can exist. We prove that the answer is no. The ground-state energies of the four- and three-electron helium Hamiltonians coincide, E4(Z=2)=E3(Z=2)E_4(Z{=}2)=E_3(Z{=}2), so a helium nucleus binds at most three electrons. A weighted form of Lieb's identity reduces the problem to the nonnegativity of an explicit two-electron Schrodinger operator mm, and Barta's inequality further reduces it to the pointwise nonnegativity of an explicit function of three variables. We prove the nonnegativity of this function by a combination of analytic estimates and a computer-assisted certification in interval arithmetic, and we publish the certificate with the paper.

Provenance statement

The mathematical approach was developed by the authors in conversation with Anthropic’s Claude (Claude Fable), building on Lieb’s 1984 identity and the author's own unpublished improvements to it. Claude wrote the code for the computer-assisted certification and drafted the manuscript; a second Claude instance ran the computation on Stanford’s Sherlock cluster (about 560 CPU core-hours). The manuscript was written in parts by a human and in parts by Fable. The certificate and code are archived at Zenodo (10.5281/zenodo.23753889, 10.5281/zenodo.23754394).

Tools used

Anthropic
Claude Fable

References

  1. M. Reed, B. Simon, Methods of Modern Mathematical Physics IV: Analysis of Operators , Academic Press (1978), Theorem XIII.17.
  2. E. H. Lieb, Bound on the maximum negative ionization of atoms and molecules, Phys. Rev. A 29 , 3018--3028 (1984).
  3. P. T. Nam, New bounds on the maximum ionization of atoms, Commun. Math. Phys. 312 , 427--445 (2012).
  4. R. D. Benguria, J. M. González-Brantes, T. Tubino, New bounds on the excess charge for atomic systems, arXiv:2207.08328.arXiv
  5. D. Hundertmark, N. Pattakos, M. R. Schulz, On the excess charge problem of atoms, arXiv:2504.18487.arXiv
  6. OpenAI, Uniform excess charge for Coulomb molecules and the outer radius of neutral atoms, OpenAI Math Release preprint, September 24, 2026, https://github.com/openai/math (AI-generated, unrefereed).link
  7. M. Hofacker, Rigorous lower bounds for atomic and ionic ground-state energies, arXiv:2610.34480.arXiv
  8. A. I. Boldyrev, M. Gutowski, J. Simons, Small multiply charged anions as building blocks in chemistry, Acc. Chem. Res. 29 , 497--502 (1996).
  9. T. Andersen, Atomic negative ions: structure, dynamics and collisions, Phys. Rep. 394 , 157--313 (2004).
  10. S. Agmon, Lectures on Exponential Decay of Solutions of Second-Order Elliptic Equations , Princeton University Press (1982).
Show all 16 referencesShow fewer references
  1. H. Nakashima, H. Nakatsuji, Solving the Schrödinger equation for helium atom and its isoelectronic ions with the free iterative complement interaction (ICI) method, J. Chem. Phys. 127 , 224104 (2007).
  2. C. L. Pekeris, Ground state of two-electron atoms, Phys. Rev. 112 , 1649--1658 (1958).
  3. C. N. Yang, Concept of off-diagonal long-range order and the quantum phases of liquid He and of superconductors, Rev. Mod. Phys. 34 , 694--704 (1962).
  4. T. Hales et al., A formal proof of the Kepler conjecture, Forum Math. Pi 5 , e2 (2017).
  5. W. Tucker, Validated Numerics: A Short Introduction to Rigorous Computations , Princeton University Press (2011).
  6. R. E. Moore, R. B. Kearfott, M. J. Cloud, Introduction to Interval Analysis , SIAM (2009).

Version history

  1. v1Submitted by Alec ShelleyInitial depositCurrentNov 03, 2026