15 citations · 69 across the 23 of their papers we have counts for
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math.NA2021
Convergent and orthogonality preserving schemes for approximating the Kohn-Sham orbitals
Xiaoying Dai, Liwei Zhang, Aihui Zhou
To obtain convergent numerical approximations without using any orthogonalization operations is of great importance in electronic structure calculations. In this paper, we propose…
physics.comp-ph2021★ 1 cited
Layer-splitting methods for time-dependent Schrödinger equations of incommensurate systems
Ting Wang, Huajie Chen, Aihui Zhou +1
This work considers numerical methods for the time-dependent Schrödinger equation of incommensurate systems. By using a plane wave method for spatial discretization, the incommensu…