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• Orbital-Free Density Functional Theory for Molecular Structure Calculations

  Huajie Chen & Aihui Zhou

  2018-08-14

  38928 4231 Pages:1-28

• Convergent and Orthogonality Preserving Schemes for Approximating the Kohn-Sham Orbitals

  Xiaoying Dai, Liwei Zhang, Aihui Zhou

  2023-01-13

  39353 3560 Pages:1-25

• A Convergence Analysis of a Structure-Preserving Gradient Flow Method for the All-Electron Kohn-Sham Model

  Yedan Shen, Ting Wang, Jie Zhou, Guanghui Hu

  2023-08-29

  30786 2599 Pages:597-621

• A Moving Mesh Isogeometric Method Based on Harmonic Maps

  Tao Wang, Xucheng Meng, Ran Zhang, Guanghui Hu

  2025-10-22

  3981 279 Pages:903-926