22 citations · 68 across the 11 of their papers we have counts for
Showing 2017 · math.NAShow all
2 papers · 2 filters
math.NA2017★ 14 cited
Projector augmented-wave method: an analysis in a one-dimensional setting
Mi-Song Dupuy
In this article, a numerical analysis of the projector augmented-wave (PAW) method is presented, restricted to the case of dimension one with Dirac potentials modeling the nuclei i…
math.NA2017★ 19 cited
Variational projector augmented-wave method: theoretical analysis and preliminary numerical results
Xavier Blanc, Eric Cancès, Mi-Song Dupuy
In Kohn-Sham electronic structure computations, wave functions have singularities at nuclear positions. Because of these singularities, plane-wave expansions give a poor approximat…