Uncovering Relationships between the Electronic Self-Energy and Coupled-Cluster Doubles Theory
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.
Authors
- Christopher J. N. Coveney (ORCID: https://orcid.org/0000-0003-3044-2224)
Institutions
- University of Oxford (GB)
Publication Details
- Journal
- The Journal of Physical Chemistry A
- Published
- 2025-09-10
- DOI
- https://doi.org/10.1021/acs.jpca.5c03750
- Citations
- 1
- Primary Topic
- Advanced Chemical Physics Studies
- Type
- article
- Field-Weighted Citation Impact
- 1.25