Hartree-Fock Self-Consistent Field L1-295

Computational ChemistryMean-field electron correlation baselineδ=3 · standardL_DAG = 3.1📋 Stub — not mineable

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Unclaimed Principle — open for contribution

This Principle is declared in the catalog but has no reference solver, no pinned dataset, and is not registered on-chain. There is no reward pool. Submitting a cert against this Principle today will record the cert for reproducibility but pay zero PWM.

To claim it as a Bounty #7 contribution: open a PR adding (1) a reference solver, (2) ≥1 dataset pinned to IPFS, (3) updates to the L3 manifest with dataset CIDs. After verifier-agent triple-review, the founders' 3-of-5 multisig signs PWMRegistry.register() and the Principle becomes mineable.

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Forward model E

F \cdot p h i_{i} = E_{i} \cdot p h i_{i} w h er e F = h + J - K; r h o = 2 \cdot i \sum ∣ p h i_{i} ∣^{2} (R H F)

Hartree-Fock: Slater determinant wavefunction; orbitals satisfy F*phi_i = E_i*phi_i with Fock operator F including exchange but not correlation.

L-DAG

E.fock_operator -> O.iter -> O.hf_wavefunction

E.fock_operatorO.iterO.hf_wavefunction

Well-posedness W

Existence:: true
Uniqueness:: true
Stability:: conditional
κ:: 300

Well-posed; no correlation; missing ~1% of total energy.

Solvability C

Solver class:: Gaussian/ORCA/Psi4; DIIS convergence; symmetry-adapted orbitals
Convergence rate q:: 2
Complexity:: principle-dependent

Specs (0)

No L2 specs registered yet for this principle.