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PreprintLicence not statedChemRxiv

Q-Chem/CP2K software interface for projection-based, pseudoperiodic wavefunction-in-DFT embedding

  • Ar. M. Fonlon1,2
  • Elena Kolodzeiski3,4,5,6
  • Dustin R. Broderick
  • Kay Carter-Fenk1,2,7,8,9
  • Christopher J. Mundy9
  • Christopher J. Stein5,6,10
  • John M. Herbert1,2
10 affiliations
  1. 1Department of Chemistry & Biochemistry
  2. 2The Ohio State University
  3. 3Department of Chemistry, Quantum Chemistry
  4. 4echnical University of Darmstadt
  5. 5Department of Chemistry and Catalysis Research Center, School of Natural Sciences
  6. 6Technical University of Munich
  7. 7Department of Chemistry
  8. 8University of Pittsburgh
  9. 9Pacific Northwest National Laboratory
  10. 10Atomistic Modeling Center, Munich Data Science Institute,
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Cite

BibTeXRIS
BibTeX
@misc{fonlon2026qchemcp2k,
  title = {{Q-Chem/CP2K software interface for projection-based, pseudoperiodic wavefunction-in-DFT embedding}},
  author = {Ar. M. Fonlon and Elena Kolodzeiski and Dustin R. Broderick and Kay Carter-Fenk and Christopher J. Mundy and Christopher J. Stein and John M. Herbert},
  howpublished = {ChemRxiv},
  year = {2026},
  month = sep,
  doi = {10.26434/chemrxiv.15004875/v2},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15004875/v2},
}
RIS
TY  - UNPB
TI  - Q-Chem/CP2K software interface for projection-based, pseudoperiodic wavefunction-in-DFT embedding
AU  - Ar. M. Fonlon
AU  - Elena Kolodzeiski
AU  - Dustin R. Broderick
AU  - Kay Carter-Fenk
AU  - Christopher J. Mundy
AU  - Christopher J. Stein
AU  - John M. Herbert
PY  - 2026
DA  - 2026/09/22
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15004875/v2
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15004875/v2
ER  -