Analytical nuclear gradients for the CC2 method using pair-natural orbitals based on localized virtual molecular orbitals for ground states

Manami Hayashi, Shunya Nagae, Masaaki Saitow, Takeshi Yanai

Open source

DOI
10.1063/5.0351295
Published
2026-10-26
Container
The Journal of Chemical Physics
Publisher
AIP Publishing
Open access
unknown

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BibTeX

@article{allodium:10.1063/5.0351295,
  title = {Analytical nuclear gradients for the CC2 method using pair-natural orbitals based on localized virtual molecular orbitals for ground states},
  author = {Manami Hayashi and Shunya Nagae and Masaaki Saitow and Takeshi Yanai},
  year = {2026},
  journal = {The Journal of Chemical Physics},
  doi = {10.1063/5.0351295},
  url = {https://doi.org/10.1063/5.0351295}
}

RIS

TY  - JOUR
TI  - Analytical nuclear gradients for the CC2 method using pair-natural orbitals based on localized virtual molecular orbitals for ground states
AU  - Manami Hayashi
AU  - Shunya Nagae
AU  - Masaaki Saitow
AU  - Takeshi Yanai
PY  - 2026
JO  - The Journal of Chemical Physics
DO  - 10.1063/5.0351295
UR  - https://doi.org/10.1063/5.0351295
ER  - 

APA

Hayashi, M., Nagae, S., Saitow, M., & Yanai, T. (2026). Analytical nuclear gradients for the CC2 method using pair-natural orbitals based on localized virtual molecular orbitals for ground states. The Journal of Chemical Physics. https://doi.org/10.1063/5.0351295

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