72 citations · 268 across the 13 of their papers we have counts for
3 papers · 1 filter
Accurate full configuration interaction correlation energy estimates for five- and six-membered rings
Yann Damour, Mickaël Véril, Fábris Kossoski +4
Following our recent work on the benzene molecule [\href{https://doi.org/10.1063/5.0027617}{J.~Chem.~Phys.~\textbf{153}, 176101 (2020)}], itself motivated by the blind challenge of…
Variational coupled cluster for ground and excited states
Antoine Marie, Fábris Kossoski, Pierre-François Loos
In single-reference coupled-cluster (CC) methods, one has to solve a set of non-linear polynomial equations in order to determine the so-called amplitudes which are then used to co…
Excited States From State Specific Orbital Optimized Pair Coupled Cluster
Fábris Kossoski, Antoine Marie, Anthony Scemama +2
The pair coupled cluster doubles (pCCD) method (where the excitation manifold is restricted to electron pairs) has a series of interesting features. Among others, it provides groun…