English

Uncovering relationships between the electronic self-energy and coupled-cluster doubles theory

Strongly Correlated Electrons 2025-09-09 v3 Materials Science Chemical Physics

Abstract

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.

Keywords

Cite

@article{arxiv.2505.18910,
  title  = {Uncovering relationships between the electronic self-energy and coupled-cluster doubles theory},
  author = {Christopher J. N. Coveney},
  journal= {arXiv preprint arXiv:2505.18910},
  year   = {2025}
}