activity
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

collaborators
Showing 2011Show all

2 papers · 1 filter

physics.comp-ph2011★ 15 cited

Optimized local basis set for Kohn-Sham density functional theory

Lin Lin, Jianfeng Lu, Lexing Ying +1

We develop a technique for generating a set of optimized local basis functions to solve models in the Kohn-Sham density functional theory for both insulating and metallic systems.…

math.NA2011★ 199 cited

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

Lin Lin, Jianfeng Lu, Lexing Ying +1

Kohn-Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn-Sham Hamilton…