Tight-Binding Electronic Structure L1-318

Quantum MechanicsMinimal-basis electronic modelsδ=3 · standardL_DAG = 3📋 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

(H - E \cdot S) c = 0; H_{i} j = S l a t er - K os t er h o pp in g, S_{i} j o v er l a p

Tight-binding: H = sum_i epsilon_i |i><i| + sum_<ij> t_ij |i><j|; localized basis; parameters from Slater-Koster or DFT-fit.

L-DAG

E.SK_parameters -> E.eigensolve -> O.DOS_band

E.SK_parametersE.eigensolveO.DOS_band

Well-posedness W

Existence:: true
Uniqueness:: true
Stability:: conditional
κ:: 150

Well-posed; TB parameter fit from DFT is regularized.

Solvability C

Solver class:: Slater-Koster matrix element; DFTB or NRL-TB parameterization
Convergence rate q:: 2
Complexity:: principle-dependent

Specs (0)

No L2 specs registered yet for this principle.