Richardson-Gaudin states of non-zero seniority III: The Perfect-Pairing limit
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arXiv
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| Format: | Preprint |
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2026
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| _version_ | 1866914618288373760 |
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| author | Johnson, Paul A. |
| author_facet | Johnson, Paul A. |
| contents | Strongly correlated electrons can be treated with a configuration interaction of Slater determinants grouped by number of unpaired electrons with exponential cost. The first two papers in this series demonstrated that single reference methods built from Richardson-Gaudin states gave results of similar quality at polynomial cost. In this contribution, the states are simplified substantially yielding the perfect-pairing state as a reference along with its low-lying excitations. The states are much simpler, the computational cost is substantially reduced, and there is no sacrifice in numerical accuracy. Second-order Epstein-Nesbet perturbative corrections for the valence electrons are similar in quality to the complete active space self-consistent field. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2605_31582 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Richardson-Gaudin states of non-zero seniority III: The Perfect-Pairing limit Johnson, Paul A. Chemical Physics Strongly Correlated Electrons Strongly correlated electrons can be treated with a configuration interaction of Slater determinants grouped by number of unpaired electrons with exponential cost. The first two papers in this series demonstrated that single reference methods built from Richardson-Gaudin states gave results of similar quality at polynomial cost. In this contribution, the states are simplified substantially yielding the perfect-pairing state as a reference along with its low-lying excitations. The states are much simpler, the computational cost is substantially reduced, and there is no sacrifice in numerical accuracy. Second-order Epstein-Nesbet perturbative corrections for the valence electrons are similar in quality to the complete active space self-consistent field. |
| title | Richardson-Gaudin states of non-zero seniority III: The Perfect-Pairing limit |
| topic | Chemical Physics Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2605.31582 |