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

  Xiaoying Dai, Liwei Zhang, Aihui Zhou

  2023-01-13

  39469 3672 Pages:1-25

• Orbital-Free Density Functional Theory for Molecular Structure Calculations

  Huajie Chen & Aihui Zhou

  2018-08-14

  38993 4310 Pages:1-28