8 citations · 8 across the 1 of their papers we have counts for
2 papers
math.NA2014★ 8 cited
A Parallel Orbital-Updating Approach for Electronic Structure Calculations
Xiaoying Dai, Xingao Gong, Aihui Zhou +1
In this paper, we propose an orbital iteration based parallel approach for electronic structure calculations. This approach is based on our understanding of the single-particle equ…
physics.comp-ph2013
Gradient type optimization methods for electronic structure calculations
Xin Zhang, Jinwei Zhu, Zaiwen Wen +1
The density functional theory (DFT) in electronic structure calculations can be formulated as either a nonlinear eigenvalue or direct minimization problem. The most widely used app…