Lattice + DFT n(r) + Bethe-Weizsäcker
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Schrödinger KS Orbitals + V_xc(GGA)
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Nernst + Butler-Volmer + Marcus + DH
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| Signature | Mass (u) | B.E./A (MeV) | Spin | State | E° (V) | ΔG (kJ/mol) | E_Nernst (V) | E_KS (eV) | j_BV (A/m²) | k_Marcus | γ± (DH) | Status |
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Full Computational Proofs