The three channels of many-body perturbation theory: GW, particle-particle, and electron-hole T-matrix self-energies
Abstract
We derive the explicit expression of the three self-energies that one encounters in many-body perturbation theory: the well-known GW self-energy, as well as the particle-particle and electron-hole T-matrix self-energies. Each of these can be easily computed via the eigenvalues and eigenvectors of a different random-phase approximation linear eigenvalue problem that completely defines their corresponding response function. For illustrative and comparative purposes, we report the principal ionization potentials of a set of small molecules computed at each level of theory. The performance of these schemes on strongly correlated systems (B2 and C2) is also discussed.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- November 2023
- DOI:
- 10.1063/5.0176898
- arXiv:
- arXiv:2309.04167
- Bibcode:
- 2023JChPh.159r4113O
- Keywords:
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- Physics - Chemical Physics;
- Condensed Matter - Materials Science;
- Condensed Matter - Strongly Correlated Electrons;
- Nuclear Theory
- E-Print:
- 13 pages, 6 figures