Beyond a Richardson-Gaudin mean-field: Slater-Condon rules and perturbation theory
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arXiv
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| Format: | Preprint |
| Published: |
2024
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| _version_ | 1866913338140655616 |
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| author | Johnson, Paul A. |
| author_facet | Johnson, Paul A. |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2405_00279 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Beyond a Richardson-Gaudin mean-field: Slater-Condon rules and perturbation theory Johnson, Paul A. Chemical Physics Strongly Correlated Electrons 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. |
| title | Beyond a Richardson-Gaudin mean-field: Slater-Condon rules and perturbation theory |
| topic | Chemical Physics Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2405.00279 |