21 citations · 37 across the 4 of their papers we have counts for
3 papers · 1 filter
Shortcut to Chemically Accurate Quantum Computing via Density-based Basis-set Correction
Diata Traore, Olivier Adjoua, César Feniou +8
Using GPU-accelerated state-vector emulation, we propose to embed a quantum computing ansatz into density-functional theory via density-based basis-set corrections (DBBSC) to obtai…
Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method
Diata Traore, Julien Toulouse, Emmanuel Giner
We present the first application to real molecular systems of the recently proposed linear-response theory for the density-based basis-set correction method [J. Chem. Phys. 158, 23…
A density-fitting implementation of the density-based basis-set correction method
Andreas Heßelmann, Emmanuel Giner, Peter Reinhardt +3
This work reports an efficient density-fitting implementation of the density-based basis-set correction (DBBSC) method in the MOLPRO software. This method consists in correcting th…