The Coulomb singularity corrections in plane-wave electronic structure calculations: Implementation and benchmarking

Yexuan Lin, Sheng Chen, Linhao Wang, Xilin Yin, Zhaolong Luo, Wentiao Wu, Xinhui Cui, Xinming Qin, Wei Hu, Jinlong Yang

Open source

DOI
10.1063/5.0298749
Published
2026-01-16
Container
The Journal of Chemical Physics
Publisher
AIP Publishing
Open access
unknown

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BibTeX

@article{allodium:10.1063/5.0298749,
  title = {The Coulomb singularity corrections in plane-wave electronic structure calculations: Implementation and benchmarking},
  author = {Yexuan Lin and Sheng Chen and Linhao Wang and Xilin Yin and Zhaolong Luo and Wentiao Wu and Xinhui Cui and Xinming Qin and Wei Hu and Jinlong Yang},
  year = {2026},
  journal = {The Journal of Chemical Physics},
  doi = {10.1063/5.0298749},
  url = {https://doi.org/10.1063/5.0298749}
}

RIS

TY  - JOUR
TI  - The Coulomb singularity corrections in plane-wave electronic structure calculations: Implementation and benchmarking
AU  - Yexuan Lin
AU  - Sheng Chen
AU  - Linhao Wang
AU  - Xilin Yin
AU  - Zhaolong Luo
AU  - Wentiao Wu
AU  - Xinhui Cui
AU  - Xinming Qin
AU  - Wei Hu
AU  - Jinlong Yang
PY  - 2026
JO  - The Journal of Chemical Physics
DO  - 10.1063/5.0298749
UR  - https://doi.org/10.1063/5.0298749
ER  - 

APA

Lin, Y., Chen, S., Wang, L., Yin, X., Luo, Z., Wu, W., Cui, X., Qin, X., Hu, W., & Yang, J. (2026). The Coulomb singularity corrections in plane-wave electronic structure calculations: Implementation and benchmarking. The Journal of Chemical Physics. https://doi.org/10.1063/5.0298749

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