Reduced density matrices of Richardson-Gaudin states in the Gaudin algebra basis

Eigenvectors of the reduced Bardeen-Cooper-Schrieffer Hamiltonian have recently been employed as a variational wavefunction ansatz in quantum chemistry. This wavefunction is a mean-field of pairs of electrons (geminals). In this contribution, we report optimal expressions for their reduced density matrices in both the original physical basis and the basis of the Richardson-Gaudin pairs. Physical basis expressions were originally reported by Gorohovsky and Bettelheim [Phys. Rev. B 84, 224503 (2011)]. In each case, the expressions scale like O(N⁴), with the most expensive step being the solution of linear equations. Analytic gradients are also reported in the physical basis. These expressions are an important step toward practical mean-field methods to treat strongly correlated electrons.