activity
20232026
most citedReference Energies for Valence Ionizations and Satellite Transitions

33 citations · 84 across the 9 of their papers we have counts for

collaborators

9 papers

physics.chem-ph2026

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…

physics.chem-ph2026

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…

physics.chem-ph2025★ 3 cited

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…

physics.chem-ph2024★ 12 cited

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…

physics.chem-ph2024★ 15 cited

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…

physics.chem-ph2024★ 1 cited

Cumulant Green's function methods for molecules

Pierre-François Loos, Antoine Marie, Abdallah Ammar

The cumulant expansion of the Green's function is a computationally efficient beyond- approach renowned for its significant enhancement of satellite features in materials. In c…

physics.chem-ph2024★ 33 cited

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…

physics.chem-ph2024★ 17 cited

Can Handle Multireference Systems?

Abdallah Ammar, Antoine Marie, Mauricio Rodríguez-Mayorga +2

Due to the infinite summation of bubble diagrams, the approximation of Green's function perturbation theory has proven particularly effective in the weak correlation regime, w…

physics.chem-ph2023★ 3 cited

The Approximation: A Quantum Chemistry Perspective

Antoine Marie, Abdallah Ammar, Pierre-François Loos

We provide an in-depth examination of the approximation of Green's function many-body perturbation theory by detailing both its theoretical and practical aspects in the realm…