DFT-D4 dispersion correction
============================

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These pages describe usage and functionality of the `dftd4`_ library.
The *dftd4* project provides an implementation of the generally applicable, charge dependent London-dispersion correction, termed DFT-D4.

.. _dftd4: https://github.com/dftd4/dftd4

References
----------

- Eike Caldeweyher, Christoph Bannwarth and Stefan Grimme,
  *J. Chem. Phys.*, **2017**, 147, 034112.
  DOI: `10.1063/1.4993215 <https://dx.doi.org/10.1063/1.4993215>`__

- Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen, Hagen Neugebauer, Sebastian Spicher, Christoph Bannwarth and Stefan Grimme,
  *J. Chem. Phys.*, **2019**, 150, 154122.
  DOI: `10.1063/1.5090222 <https://dx.doi.org/10.1063/1.5090222>`__
  chemrxiv: `10.26434/chemrxiv.7430216 <https://dx.doi.org/10.26434/chemrxiv.7430216>`__

- Eike Caldeweyher, Jan-Michael Mewes, Sebastian Ehlert and Stefan Grimme,
  *Phys. Chem. Chem. Phys.*, **2020**, 22, 8499-8512.
  DOI: `10.1039/D0CP00502A <https://dx.doi.org/10.1039/D0CP00502A>`__
  chemrxiv: `10.26434/chemrxiv.10299428 <https://dx.doi.org/10.26434/chemrxiv.10299428>`__

- Marvin Friede, Sebastian Ehlert, Stefan Grimme and Jan-Michael Mewes,
  *J. Chem. Theory Comput.*, **2023**, 19 (22), 8097-8107.
  DOI: `10.1021/acs.jctc.3c00717 <10.1021/acs.jctc.3c00717>`__

- Lukas Wittmann, Igor Gordiy, Marvin Friede, Benjamin Helmich-Paris, Stefan Grimme, Andreas Hansen and Markus Bursch, 
  *Phys. Chem. Chem. Phys.*, **2024**, 26, 21379-21394.
  DOI: `10.1039/D4CP01514B <10.1039/D4CP01514B>`__

- Nikolay V. Tkachenko, Linus B. Dittmer, Rebecca Tomann and Martin Head-Gordon,
  *J. Phys. Chem. Lett.*, **2024**, 15, 42, 10629–10637.
  DOI: `10.1021/acs.jpclett.4c02653 <https://dx.doi.org/10.1021/acs.jpclett.4c02653>`__
  chemrxiv: `10.26434/chemrxiv-2024-31x2z <https://dx.doi.org/10.26434/chemrxiv-2024-31x2z>`__


Citations can also be viewed via `dftd4 --citation` or in the `BibTeX file <https://github.com/dftd4/dftd4/CITATION.bib>`__.


.. toctree::

   Recipes <recipe/index>
   References <reference/index>
