Beyond a Richardson-Gaudin Mean-Field: Slater-Condon Rules and Perturbation Theory
- PMID: 39007410
- DOI: 10.1021/acs.jpca.4c02857
Beyond a Richardson-Gaudin Mean-Field: Slater-Condon Rules and Perturbation Theory
Abstract
Richardson-Gaudin states provide a basis of the Hilbert space for strongly correlated electrons. In this study, optimal expressions for the transition density matrix elements between Richardson-Gaudin states are obtained with a cost comparable with the corresponding reduced density matrix elements. Analogues of the Slater-Condon rules are identified based on the number of near-zero singular values of the RG state overlap matrix. Finally, a perturbative approach is shown to be close in quality to a configuration interaction of Richardson-Gaudin states while being feasible to compute.
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