Algorithmic construction of exact extremal states for fermionic moment polytopes: a certified census through rank 10
James Orlando
Abstract
The generalized Pauli constraints of Altunbulak and Klyachko [Comm. Math. Phys. 282, 287 (2008)] characterize the moment polytopes of fermionic natural occupation numbers. Two vertices of the ∧4H9 polytope—(16,16,16,6,6,6,6,6,6)/21 and (20,14,14,14,14,4,4,4,4)/23—were verified in that work “only numerically,” and the completeness of the published ∧4H10constraint list rests on them. We close both gaps with explicit states whose extremality admits elementary, hand-checkable proofs: a seven-determinant real state for the first vertex, and an eight-determinant state for the second carrying a single nontrivial phase, cos γ = 3/(4√14)—to our knowledge the first genuinely complex extremal state exhibited for these polytopes. Real amplitudes are provably insufficient within its mechanism class; whether any real state attains this vertex remains open. The construction motivates a general notion of weighted-design extremal states (independent-set support, integer weights, exactly diagonal one-body reduced density matrix), for which vertex attainability reduces to integer combinatorics. An exhaustive census shows that all vertices of the ∧3H6 and ∧3H7 polytopes and 22 of the 38 vertices of ∧3H8 are design-attainable, while the second open ∧4H9 vertex is provably not (mixed-integer infeasibility certificate): its extremal states necessarily involve phase interference between one-hop-connected configurations, and an exhaustive enumeration further shows no real-amplitude single-block state exists, so the interference is irreducibly complex. The historically difficult vertices—including the exotic (5,5,5,5,2,2,2,2) family of ∧3H8—all fall in the interference class. We relate the dichotomy to the superselection rule of Liebert et al. [Phys. Rev. Research 7, 023247 (2025)], report the first computations of canonical forms and adjoint degrees (in the sense of Arkani-Hamed–Bai–Lam) for all rigorously solved fermionic moment polytopes, and describe the numerical methods—an alternating-projection solver for prescribed occupation spectra and a sparsifying flow run as a multi-start swarm—by which the explicit state was found before being proved.