10 citations · 15 across the 4 of their papers we have counts for
Showing math.NAShow all
2 papers · 1 filter
math.NA2021
Numerical Analysis of the Multiple Scattering Theory for Electronic Structure Calculations
Xiaoxu Li, Huajie Chen, Xingyu Gao
The multiple scattering theory (MST) is one of the most widely used methods in electronic structure calculations. It features a perfect separation between the atomic configurations…
math.NA2019★ 4 cited
A discontinuous Galerkin scheme for full-potential electronic structure calculations
Xiaoxu Li, Huajie Chen
In this paper, we construct an efficient numerical scheme for full-potential electronic structure calculations of periodic systems. In this scheme, the computational domain is deco…