How to Cite

If you use LibRPA in your work, please consider citing:

• R. Shi, P. Lin, M.-Y. Zhang, L. He, and X. Ren, Subquadratic-scaling real-space random phase approximation correlation energy calculations for periodic systems with numerical atomic orbitals, Phys. Rev. B 109, 035103 (2024).

  @article{ShiR2024PRB,
    title = {Subquadratic-scaling real-space random phase approximation correlation energy calculations for periodic systems with numerical atomic orbitals},
    author = {Shi, Rong and Lin, Peize and Zhang, Min-Ye and He, Lixin and Ren, Xinguo},
    date = {2024-01-02},
    year = 2024,
    journal = {Phys. Rev. B},
    volume = {109},
    number = {3},
    pages = {035103},
    doi = {10.1103/PhysRevB.109.035103},
  }
  

• R. Shi, M.-Y. Zhang, P. Lin, L. He, and X. Ren, LibRPA: A software package for low-scaling first-principles calculations of random phase approximation electron correlation energy based on numerical atomic orbitals, Comput. Phys. Commun. 309, 109496 (2025).

  @article{ShiR2025CPC,
    title = {{{LibRPA}}: {{A}} software package for low-scaling first-principles calculations of random phase approximation electron correlation energy based on numerical atomic orbitals},
    author = {Shi, Rong and Zhang, Min-Ye and Lin, Peize and He, Lixin and Ren, Xinguo},
    date = {2025-04-01},
    year = 2025,
    journal = {Comput. Phys. Commun.},
    volume = {309},
    pages = {109496},
    doi = {10.1016/j.cpc.2024.109496},
  }
  

• M.-Y. Zhang, P. Lin, R. Shi, and X. Ren, Low-scaling GW calculations of quasi-particle energies for extended systems within the numerical atomic orbital framework, J. Chem. Theory Comput. 22, 5770 (2026).

  @article{ZhangMY26LibRPA,
    title = {Low-scaling {{GW}} calculations of quasi-particle energies for extended systems within the numerical atomic orbital framework},
    author = {Zhang, Min-Ye and Lin, Peize and Shi, Rong and Ren, Xinguo},
    date = {2026-05-20},
    year = 2026,
    journal = {J. Chem. Theory Comput.},
    volume = {22},
    number = {11},
    pages = {5770--5788},
    doi = {10.1021/acs.jctc.6c00618},
  }