17 citations · 121 across the 30 of their papers we have counts for
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math.NA2022★ 6 cited
Numerical stability and efficiency of response property calculations in density functional theory
Eric Cancès, Michael F. Herbst, Gaspard Kemlin +2
Response calculations in density functional theory aim at computing the change in ground-state density induced by an external perturbation. At finite temperature these are usually…
math.NA2022★ 9 cited
Linear scaling computation of forces for the domain-decomposition linear Poisson--Boltzmann method
Abhinav Jha, Michele Nottoli, Aleksandr Mikhalev +2
The Linearized Poisson--Boltzmann (LPB) equation is a popular and widely accepted model for accounting solvent effects in computational (bio-) chemistry. In the present article we…