17 citations · 31 across the 6 of their papers we have counts for
4 papers · 1 filter
Compactification of Determinant Expansions via Transcorrelation
Abdallah Ammar, Anthony Scemama, Pierre-François Loos +1
Although selected configuration interaction (SCI) algorithms can tackle much larger Hilbert spaces than the conventional full CI (FCI) method, the scaling of their computational co…
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…
Go Green: Selected Configuration Interaction as a More Sustainable Alternative for High Accuracy
Pierre-François Loos, Yann Damour, Abdallah Ammar +3
Recently, a new distributed implementation of the full configuration interaction (FCI) method has been reported [Gao et al. J. Chem Theory Comput. 2024, 20, 1185]. Thanks to a hybr…
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…