6 papers
Reference Energies for Non-Relativistic Core Ionization Potentials
Antoine Marie, Loris Burth, Pierre-François Loos
Deep-lying core electrons carry highly localized, site-specific information that forms the basis of X-ray photoelectron spectroscopy. Accurately predicting their associated core io…
An Algebraic-Diagrammatic Construction for Vertex Corrections to the Self-Energy
Antoine Marie, Johannes Tölle, Pierre-François Loos
The approximation -- the second-order self-energy beyond -- is known to violate some fundamental analytic properties of the self-energy. In particular, its lack of posi…
Parquet theory for molecular systems: Formalism and static kernel parquet approximation
Antoine Marie, Pierre-François Loos
The approximation has become a method of choice for predicting quasiparticle properties in solids and large molecular systems, owing to its favorable accuracy-cost balance. Ho…
Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation
Antoine Marie, Pina Romaniello, Xavier Blase +1
The Bethe-Salpeter equation has been extensively employed to compute the two-body electron-hole propagator and its poles which correspond to the neutral excitation energies of the…
Anomalous propagators and the particle-particle channel: Hedin's equations
Antoine Marie, Pina Romaniello, Pierre-François Loos
Hedin's equations provide an elegant route to compute the exact one-body Green's function (or propagator) via the self-consistent iteration of a set of non-linear equations. Its fi…
Reference Energies for Valence Ionizations and Satellite Transitions
Antoine Marie, Pierre-François Loos
Upon ionization of an atom or a molecule, another electron (or more) can be simultaneously excited. These concurrently generated states are called "satellites" (or shake-up transit…