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. 2024 Jul 25;128(29):6033-6045.
doi: 10.1021/acs.jpca.4c02857. Epub 2024 Jul 15.

Beyond a Richardson-Gaudin Mean-Field: Slater-Condon Rules and Perturbation Theory

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Beyond a Richardson-Gaudin Mean-Field: Slater-Condon Rules and Perturbation Theory

Paul A Johnson. J Phys Chem A. .

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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