Seniority Eigenstate Configuration Interaction
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.
Cite
@article{arxiv.2604.19063,
title = {Seniority Eigenstate Configuration Interaction},
author = {Thomas M Henderson and Guo P. Chen and Gustavo E. Scuseria},
journal= {arXiv preprint arXiv:2604.19063},
year = {2026}
}
Comments
Submitted to J. Chem. Phys