Name
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. |
Year | DOI | Venue |
|---|---|---|
2019 | 10.1017/S0962492919000047 | Acta Numer. |
Field | DocType | Volume |
Mathematical analysis,Mathematical physics,Kohn–Sham equations,Density functional theory,Numerical analysis,Mathematics | Journal | 28 |
ISSN | Citations | PageRank |
0962-4929 | 1 | 0.36 |
References | Authors | |
0 | 3 | |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Lin Lin | 1 | 60 | 9.15 |
| Jianfeng Lu | 2 | 136 | 38.65 |
| Lexing Ying | 3 | 1273 | 103.92 |