A CSOV study of the difference between HF and DFT intermolecular interaction energy values: The importance of the charge transfer contribution

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https://hal.archives-ouvertes.fr/hal-02126803
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 10:21:57 PM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

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Jean-Philip Piquemal, Antonio Marquez, Olivier Parisel, Claude Giessner-Prettre. A CSOV study of the difference between HF and DFT intermolecular interaction energy values: The importance of the charge transfer contribution. Journal of Computational Chemistry, Wiley, 2005, 26 (10), pp.1052-1062. ⟨10.1002/jcc.20242⟩. ⟨hal-02126803⟩

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