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arXiv · 2604.19063

Seniority Eigenstate Configuration Interaction

Thomas M Henderson·Guo P. Chen·Gustavo E. Scuseria
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Abstract

Zero-seniority methods have shown great promise for the description of strongly-correlated electronic systems. Other seniority sectors have been much less explored, and in particular the maximal seniority sector and zero seniority have the same underlying algebraic structure. We introduce a seniority eigenstate configuration interaction in which the wave function is constrained to have good fixed local seniority for each paired orbital, by which we mean we partition orbitals into a pairing set with seniority zero, and a spin set with seniority one. We show how to build the effective Hamiltonian for this ansatz, and demonstrate that high-seniority wave functions have unexpectedly excellent accuracy for strongly-correlated fermionic systems, with accuracy competitive with or better than seniority zero for the Hubbard model and for the dissociation of the nitrogen molecule.

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Thomas M Henderson, Guo P. Chen, Gustavo E. Scuseria. 2026-04-21. Seniority Eigenstate Configuration Interaction. https://arxiv.org/abs/2604.19063

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