Publications [#346699] of Jianfeng Lu

Papers Published

1. Lin, L; Lu, J; Ying, L, Numerical methods for Kohn-Sham density functional theory, Acta Numerica, vol. 28 (May, 2019), pp. 405-539 [doi]
   (last updated on 2026/01/15)

   Abstract:
   Kohn-Sham density functional theory (DFT) is the most widely used electronic structure theory. Despite significant progress in the past few decades, the numerical solution of Kohn-Sham DFT problems remains challenging, especially for large-scale systems. In this paper we review the basics as well as state-of-the-art numerical methods, and focus on the unique numerical challenges of DFT.