The three channels of many-body perturbation theory: $GW$, particle-particle, and electron-hole $T$-matrix self-energies
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arXiv
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| Autori principali: | , , |
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| Natura: | Preprint |
| Pubblicazione: |
2023
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| _version_ | 1866911785973448704 |
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| author | Orlando, Roberto Romaniello, Pina Loos, Pierre-François |
| author_facet | Orlando, Roberto Romaniello, Pina Loos, Pierre-François |
| contents | 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 (RPA) 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 (\ce{B2} and \ce{C2}) is also discussed. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2309_04167 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | The three channels of many-body perturbation theory: $GW$, particle-particle, and electron-hole $T$-matrix self-energies Orlando, Roberto Romaniello, Pina Loos, Pierre-François Chemical Physics Materials Science Strongly Correlated Electrons Nuclear Theory 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 (RPA) 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 (\ce{B2} and \ce{C2}) is also discussed. |
| title | The three channels of many-body perturbation theory: $GW$, particle-particle, and electron-hole $T$-matrix self-energies |
| topic | Chemical Physics Materials Science Strongly Correlated Electrons Nuclear Theory |
| url | https://arxiv.org/abs/2309.04167 |