Litcius/Paper detail

The three channels of many-body perturbation theory: <i>GW</i>, particle–particle, and electron–hole <i>T</i>-matrix self-energies

Roberto Orlando, Pina Romaniello, Pierre‐François Loos

2023The Journal of Chemical Physics23 citationsDOIOpen Access PDF

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.

Topics & Concepts

Eigenvalues and eigenvectorsPerturbation theory (quantum mechanics)PhysicsElectronRandom phase approximationRandom matrixPerturbation (astronomy)Many-body problemQuantum mechanicsGW approximationQuasiparticleSuperconductivityAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesQuantum, superfluid, helium dynamics