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Peer-reviewedLicence not statedPhysical Review Letters

Deep-Learning Density Functional Theory Hamiltonian in Real Space

  • Zilong Yuan1
  • Zechen Tang1
  • Honggeng Tao1
  • Xiaoxun Gong2,1,3
  • Zezhou Chen1
  • Yuxiang Wang1
  • He Li1
  • Yang Li1
  • Zhiming Xu1
  • Minghui Sun1
  • Boheng Zhao1
  • Si Chen4,5
3 more authors
  • Chong Wang1
  • Wenhui Duan6,5,1
  • Yong Xu6,5,1
6 affiliations
  1. 1Tsinghua University
  2. 2Lawrence Berkeley National Laboratory
  3. 3University of California at Berkeley
  4. 4Beihang University
  5. 5Suzhou National Laboratory
  6. 6Frontier Science Center for Quantum Information
Open at sourcePDFDOICite

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Cite

BibTeXRIS
BibTeX
@article{yuan2026deeplearning,
  title = {{Deep-Learning Density Functional Theory Hamiltonian in Real Space}},
  author = {Zilong Yuan and Zechen Tang and Honggeng Tao and Xiaoxun Gong and Zezhou Chen and Yuxiang Wang and He Li and Yang Li and Zhiming Xu and Minghui Sun and Boheng Zhao and Si Chen and Chong Wang and Wenhui Duan and Yong Xu},
  journal = {Physical Review Letters},
  year = {2026},
  month = jun,
  doi = {10.1103/mbhs-vlby},
  url = {http://arxiv.org/abs/2407.14379},
}
RIS
TY  - JOUR
TI  - Deep-Learning Density Functional Theory Hamiltonian in Real Space
AU  - Zilong Yuan
AU  - Zechen Tang
AU  - Honggeng Tao
AU  - Xiaoxun Gong
AU  - Zezhou Chen
AU  - Yuxiang Wang
AU  - He Li
AU  - Yang Li
AU  - Zhiming Xu
AU  - Minghui Sun
AU  - Boheng Zhao
AU  - Si Chen
AU  - Chong Wang
AU  - Wenhui Duan
AU  - Yong Xu
PY  - 2026
DA  - 2026/06/15
JO  - Physical Review Letters
DO  - 10.1103/mbhs-vlby
UR  - http://arxiv.org/abs/2407.14379
SN  - 0031-9007
SN  - 1079-7114
SN  - 1092-0145
ER  -