171 citations · 1.2k across the 40 of their papers we have counts for
4 papers · 1 filter
Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model
Diata Traore, Emmanuel Giner, Julien Toulouse
We reexamine the recently introduced basis-set correction theory based on density-functional theory consisting in correcting the basis-set incompleteness error of wave-function met…
Accurate energies of transition metal atoms, ions, and monoxides using selected configuration interaction and density-based basis-set corrections
Yuan Yao, Emmanuel Giner, Tyler A. Anderson +2
The semistochastic heat-bath configuration interaction (SHCI) method is a selected configuration interaction plus perturbation theory method that has provided near-full configurati…
Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments?
Emmanuel Giner, Diata Traore, Barthélemy Pradines +1
This work provides a self-consistent extension of the recently proposed density-based basis-set correction method for wave-function electronic-structure calculations [J. Chem. Phys…
A new form of transcorrelated Hamiltonian inspired by range-separated DFT
Emmanuel Giner
The present work introduces a new form of explicitly correlated factor in the context of the transcorrelated methods. The new correlation factor is obtained from the r 12 …