Introducing a dielectric bath embedding theory for embedded electronic structure calculations in heterogeneous catalysis.

Lee K, Fawcett C, Zhao Q

Open source

DOI
10.1063/5.0323151
Published
2026 Mar 21
Container
The Journal of chemical physics
Publisher
Not recorded
Open access
unknown

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BibTeX

@article{allodium:10.1063/5.0323151,
  title = {Introducing a dielectric bath embedding theory for embedded electronic structure calculations in heterogeneous catalysis.},
  author = {Lee K and Fawcett C and Zhao Q},
  year = {2026},
  journal = {The Journal of chemical physics},
  doi = {10.1063/5.0323151},
  url = {https://doi.org/10.1063/5.0323151}
}

RIS

TY  - JOUR
TI  - Introducing a dielectric bath embedding theory for embedded electronic structure calculations in heterogeneous catalysis.
AU  - Lee K
AU  - Fawcett C
AU  - Zhao Q
PY  - 2026
JO  - The Journal of chemical physics
DO  - 10.1063/5.0323151
UR  - https://doi.org/10.1063/5.0323151
ER  - 

APA

K, L., C, F., & Q, Z. (2026). Introducing a dielectric bath embedding theory for embedded electronic structure calculations in heterogeneous catalysis.. The Journal of chemical physics. https://doi.org/10.1063/5.0323151

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