Post-Hartree-Fock Correlated Methods (MP2, CCSD, CI) L1-296

Computational ChemistryElectron correlation beyond mean-fieldδ=10 · hardL_DAG = 4📋 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.

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Forward model E

E_{c} or r_{M} P 2 = ij ab \sum ∣ < ij ∣∣ ab > ∣^{2} / (E_{i} + E_{j} - E_{a} - E_{b}); E_{C} C S D v ia C C am pl i t u d es T 1, T 2

Post-HF: recover correlation energy via MP2 (Moller-Plesset 2nd order), CCSD (coupled-cluster singles+doubles), CCSD(T), CI (configuration interaction), FCI.

L-DAG

E.hf_reference -> E.correlation_expand -> E.eigensolve -> O.correlated_energy

E.hf_referenceE.correlation_expandE.eigensolveO.correlated_energy

Well-posedness W

Existence:: true
Uniqueness:: true
Stability:: conditional
κ:: 2000

Formally well-defined; convergence with basis slow (1/N^3 for CCSD); scaling N^6-N^7 limits size.

Solvability C

Solver class:: Psi4, CFOUR, Molpro, ORCA; DF-MP2 / DLPNO-CCSD(T) for scaling reduction
Convergence rate q:: 2
Complexity:: principle-dependent

Specs (0)

No L2 specs registered yet for this principle.