EmbASI: An extensible Pythonic framework for DFT-in-DFT and WF-in-DFT embedding

Gabriel Bramley, Pavel V. Stishenko, Oscar van Vuren, Volker Blum, Andrew J. Logsdail

Open source

DOI
10.1063/5.0349619
Published
2026-11-04
Container
The Journal of Chemical Physics
Publisher
AIP Publishing
Open access
unknown

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BibTeX

@article{allodium:10.1063/5.0349619,
  title = {EmbASI: An extensible Pythonic framework for DFT-in-DFT and WF-in-DFT embedding},
  author = {Gabriel Bramley and Pavel V. Stishenko and Oscar van Vuren and Volker Blum and Andrew J. Logsdail},
  year = {2026},
  journal = {The Journal of Chemical Physics},
  doi = {10.1063/5.0349619},
  url = {https://doi.org/10.1063/5.0349619}
}

RIS

TY  - JOUR
TI  - EmbASI: An extensible Pythonic framework for DFT-in-DFT and WF-in-DFT embedding
AU  - Gabriel Bramley
AU  - Pavel V. Stishenko
AU  - Oscar van Vuren
AU  - Volker Blum
AU  - Andrew J. Logsdail
PY  - 2026
JO  - The Journal of Chemical Physics
DO  - 10.1063/5.0349619
UR  - https://doi.org/10.1063/5.0349619
ER  - 

APA

Bramley, G., Stishenko, P. V., Vuren, O. V., Blum, V., & Logsdail, A. J. (2026). EmbASI: An extensible Pythonic framework for DFT-in-DFT and WF-in-DFT embedding. The Journal of Chemical Physics. https://doi.org/10.1063/5.0349619

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