Uncovering relationships between the electronic self-energy and coupled-cluster doubles theory
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arXiv
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| Format: | Preprint |
| Veröffentlicht: |
2025
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| _version_ | 1866909775364620288 |
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| author | Coveney, Christopher J. N. |
| author_facet | Coveney, Christopher J. N. |
| contents | We derive the coupled-cluster doubles (CCD) amplitude equations by introduction of the particle-hole-time decoupled electronic self-energy. The resulting analysis leads to an expression for the ground state correlation energy that is exactly of the form obtained in coupled-cluster doubles theory. We demonstrate the relationship to the ionization potential/electron affinity equation-of-motion coupled-cluster doubles (IP/EA-EOM-CCD) eigenvalue problem by coupling the reverse-time self-energy contributions while maintaining particle-hole separability. The formal relationships established are demonstrated by exact solution of the Hubbard dimer. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2505_18910 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Uncovering relationships between the electronic self-energy and coupled-cluster doubles theory Coveney, Christopher J. N. Strongly Correlated Electrons Materials Science Chemical Physics We derive the coupled-cluster doubles (CCD) amplitude equations by introduction of the particle-hole-time decoupled electronic self-energy. The resulting analysis leads to an expression for the ground state correlation energy that is exactly of the form obtained in coupled-cluster doubles theory. We demonstrate the relationship to the ionization potential/electron affinity equation-of-motion coupled-cluster doubles (IP/EA-EOM-CCD) eigenvalue problem by coupling the reverse-time self-energy contributions while maintaining particle-hole separability. The formal relationships established are demonstrated by exact solution of the Hubbard dimer. |
| title | Uncovering relationships between the electronic self-energy and coupled-cluster doubles theory |
| topic | Strongly Correlated Electrons Materials Science Chemical Physics |
| url | https://arxiv.org/abs/2505.18910 |