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20062023
most citedAdaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation

199 citations · 1.3k across the 122 of their papers we have counts for

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Showing 2012Show all

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math.NA2012★ 80 cited

A parallel sweeping preconditioner for heterogeneous 3D Helmholtz equations

Jack Poulson, Björn Engquist, Siwei Li +1

A parallelization of a sweeping preconditioner for 3D Helmholtz equations without large cavities is introduced and benchmarked for several challenging velocity models. The setup an…

physics.comp-ph2012★ 8 cited

Element orbitals for Kohn-Sham density functional theory

Lin Lin, Lexing Ying

We present a method to discretize the Kohn-Sham Hamiltonian matrix in the pseudopotential framework by a small set of basis functions automatically contracted from a uniform basis…