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Update citations (dftd4#278)
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‎CITATION.bib

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@article{dftd4-1,
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author = {Eike Caldeweyher and Christoph Bannwarth and Stefan Grimme},
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journal = {J. Chem. Phys.},
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title = {Extension of the D3 dispersion coefficient model},
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year = {2017},
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month = {7},
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number = {3},
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pages = {034112},
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volume = {147},
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doi = {10.1063/1.4993215},
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publisher = {{AIP} Publishing}
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}
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@article{dftd4-2,
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author = {Eike Caldeweyher and Sebastian Ehlert and Andreas Hansen and Hagen Neugebauer and Sebastian Spicher and Christoph Bannwarth and Stefan Grimme},
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journal = {J. Chem. Phys.},
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title = {A generally applicable atomic-charge dependent London dispersion correction},
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year = {2019},
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month = {4},
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number = {15},
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pages = {154122},
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volume = {150},
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doi = {10.1063/1.5090222},
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publisher = {{AIP} Publishing}
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}
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@article{dftd4-periodic,
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author = {Eike Caldeweyher and Jan-Michael Mewes and Sebastian Ehlert and Stefan Grimme},
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journal = {Phys. Chem. Chem. Phys.},
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title = {Extension and evaluation of the D4 London-dispersion model for periodic systems},
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year = {2020},
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number = {16},
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pages = {8499--8512},
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volume = {22},
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doi = {10.1039/d0cp00502a},
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publisher = {Royal Society of Chemistry ({RSC})}
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}
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@article{dftd4-rsh,
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author = {Friede, Marvin and Ehlert, Sebastian and Grimme, Stefan and Mewes, Jan-Michael},
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title = {Do Optimally Tuned Range-Separated Hybrid Functionals Require a Reparametrization of the Dispersion Correction? It Depends},
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journal = {Journal of Chemical Theory and Computation},
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volume = {19},
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number = {22},
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pages = {8097-8107},
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year = {2023},
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doi = {10.1021/acs.jctc.3c00717},
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note = {PMID: 37955590},
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url = {https://doi.org/10.1021/acs.jctc.3c00717}
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}
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@article{dftd4-actinides,
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author = {Wittmann, Lukas and Gordiy, Igor and Friede, Marvin and Helmich-Paris, Benjamin and Grimme, Stefan and Hansen, Andreas and Bursch, Markus},
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title = {Extension of the D3 and D4 London dispersion corrections to the full actinides series},
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journal = {Phys. Chem. Chem. Phys.},
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year = {2024},
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volume = {26},
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issue = {32},
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pages = {21379-21394},
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publisher = {The Royal Society of Chemistry},
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doi = {10.1039/D4CP01514B},
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url = {http://dx.doi.org/10.1039/D4CP01514B},
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}

‎README.md

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DOI: [10.1039/D0CP00502A](https://doi.org/10.1039/D0CP00502A)
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chemrxiv: [10.26434/chemrxiv.10299428](https://doi.org/10.26434/chemrxiv.10299428.v1)
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<br>
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In the range-separate hybrid context:
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Marvin Friede, Sebastian Ehlert, Stefan Grimme and Jan-Michael Mewes, *J. Chem. Theory Comput.*, **2023**, 19 (22), 8097-8107.
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DOI: [10.1021/acs.jctc.3c00717](10.1021/acs.jctc.3c00717)
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<br>
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Extension to Fr, Ra, and full Actinide series:
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Lukas Wittmann, Igor Gordiy, Marvin Friede, Benjamin Helmich-Paris, Stefan Grimme, Andreas Hansen and Markus Bursch, *Phys. Chem. Chem. Phys.*, **2024**, 26, 21379-21394.
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DOI: [10.1039/D4CP01514B](10.1039/D4CP01514B)
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<br>
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Citations can also be viewed via `dftd4 --citation` or in the [BibTeX file](CITATION.bib).
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## License
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‎app/help.f90

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" | Mulliken Center for Theoretical Chemistry |",&
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" | University of Bonn |",&
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" ----------------------------------------------------------- ",""
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end subroutine header
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"ChemRxiv: 10.26434/chemrxiv.7430216.v2", &
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"", &
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"Periodic DFTD4 model:", &
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"Eike Caldeweyher, Jan-Michael Mewes, Sebastian Ehlert", &
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"and Stefan Grimme, Phys. Chem. Chem. Phys., 2020, 22, 8499-8512.", &
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"Eike Caldeweyher, Jan-Michael Mewes, Sebastian Ehlert and Stefan Grimme,", &
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"Phys. Chem. Chem. Phys., 2020, 22, 8499-8512.", &
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"DOI: 10.1039/D0CP00502A", &
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"ChemRxiv: 10.26434/chemrxiv.10299428.v1", &
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"", &
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"DFTD4 for range-separated hybrids:", &
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"Marvin Friede, Sebastian Ehlert, Stefan Grimme, Jan-Michael Mewes,", &
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"J. Chem. Theory Comput., 2023, 19 (22), 8097-8107.", &
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"DOI: 10.1021/acs.jctc.3c00717", &
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"", &
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"Extension to Fr, Ra, and full Actinide series:", &
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"Lukas Wittmann, Igor Gordiy, Marvin Friede, Benjamin Helmich-Paris, ", &
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"Stefan Grimme, Andreas Hansen and Markus Bursch,", &
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"Phys. Chem. Chem. Phys., 2024, 26, 21379-21394.", &
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"DOI: 10.1039/D4CP01514B", &
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"", &
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"Smooth D4S model:", &
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"Nikolay V. Tkachenko, Linus B. Dittmer, Rebecca Tomann", &
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"and Martin Head-Gordon, J. Phys. Chem. Lett., 2024, 15, 42, 10629–10637.", &
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"Nikolay V. Tkachenko, Linus B. Dittmer, Rebecca Tomann and Martin Head-Gordon, ", &
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"J. Phys. Chem. Lett., 2024, 15, 42, 10629-10637.", &
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"DOI: 10.1021/acs.jpclett.4c02653", &
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"ChemRxiv: 10.26434/chemrxiv-2024-31x2z", &
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""
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"ChemRxiv: 10.26434/chemrxiv-2024-31x2z"
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end subroutine citation
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"", &
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"You should have received a copy of the Lesser GNU General Public License", &
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"along with dftd4. If not, see <https://www.gnu.org/licenses/>."
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end subroutine license
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‎doc/index.rst

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DOI: `10.1039/D0CP00502A <https://dx.doi.org/10.1039/D0CP00502A>`__
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chemrxiv: `10.26434/chemrxiv.10299428 <https://dx.doi.org/10.26434/chemrxiv.10299428>`__
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- Marvin Friede, Sebastian Ehlert, Stefan Grimme and Jan-Michael Mewes,
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*J. Chem. Theory Comput.*, **2023**, 19 (22), 8097-8107.
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DOI: `10.1021/acs.jctc.3c00717 <10.1021/acs.jctc.3c00717>`__
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- Lukas Wittmann, Igor Gordiy, Marvin Friede, Benjamin Helmich-Paris, Stefan Grimme, Andreas Hansen and Markus Bursch,
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*Phys. Chem. Chem. Phys.*, **2024**, 26, 21379-21394.
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DOI: `10.1039/D4CP01514B <10.1039/D4CP01514B>`__
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- Nikolay V. Tkachenko, Linus B. Dittmer, Rebecca Tomann and Martin Head-Gordon,
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*J. Phys. Chem. Lett.*, **2024**, 15, 42, 10629–10637.
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DOI: `10.1021/acs.jpclett.4c02653 <https://dx.doi.org/10.1021/acs.jpclett.4c02653>`__
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chemrxiv: `10.26434/chemrxiv-2024-31x2z <https://dx.doi.org/10.26434/chemrxiv-2024-31x2z>`__
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Citations can also be viewed via `dftd4 --citation` or in the `BibTeX file <https://github.com/dftd4/dftd4/CITATION.bib>`__.
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.. toctree::
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Recipes <recipe/index>

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