378 citations · 5.1k across the 129 of their papers we have counts for
131 papers
Transcorrelated Random-Phase Approximation
Abdallah Ammar, Enzo Monino, Anthony Scemama +2
We extend the random-phase approximation (RPA) to the non-Hermitian transcorrelated (TC) Hamiltonian, which explicitly includes three-body interactions generated by a Jastrow corre…
Connection between and Extended Coupled Cluster
Johannes Tölle, Marios-Petros Kitsaras, Andreas Irmler +2
Coupled-cluster (CC) theory and Green's function many-body perturbation theory (MBPT) have long evolved as distinct yet complementary frameworks for describing electronic correlati…
Connections between Richardson-Gaudin States, Perfect-Pairing, and Pair Coupled-Cluster Theory
Paul A. Johnson, Charles-Émile Fecteau, Samuel Nadeau +2
Slater determinants underpin most electronic structure methods, but orbital-based approaches often struggle to describe strong correlation efficiently. Geminal-based theories, by c…
Analytic gradients based on a double-similarity transformation equation-of-motion coupled-cluster treatment
Marios-Petros Kitsaras, Johannes Tölle, Pierre-François Loos
The accurate prediction of ionization potentials (IPs) is central to understanding molecular reactivity, redox behavior, and spectroscopic properties. While vertical IPs can be acc…
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…
The QUEST Database of Highly-Accurate Excitation Energies
Pierre-François Loos, Martial Boggio-Pasqua, Aymeric Blondel +2
We report theoretical best estimates of vertical transition energies (VTEs) for a large number of excited states and molecules: the \textsc{quest} database. This database includes…