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{"references": ["Eike Caldeweyher, Christoph Bannwarth and Stefan Grimme, J. Chem. Phys., 2017, 147, 034112. DOI: 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 chemrxiv: 10.26434/chemrxiv.7430216", "Eike Caldeweyher, Jan-Michael Mewes, Sebastian Ehlert and Stefan Grimme, Phys. Chem. Chem. Phys., 2020, just accepted. DOI: 10.1039/D0CP00502A chemrxiv: 10.26434/chemrxiv.10299428"]}
Reference implementation of the DFT-D4 dispersion correction for molecular and 3D periodic systems. New Features in this release parameters for DFTB parameters for revDSD double hybrid functionals serialization of calculation results to JSON or TOML
dispersion-correction, quantum-chemistry, density-functional-theory, dft-d
dispersion-correction, quantum-chemistry, density-functional-theory, dft-d
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