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New intermolecular benchmark calculations on the water dimer: SAPT and supermolecular post-Hartree-Fock approaches

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https://hal.archives-ouvertes.fr/hal-02126824
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Sunday, May 12, 2019 - 10:59:00 PM
Last modification on : Thursday, March 31, 2022 - 8:20:02 AM

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P. Reinhardt, J-P. Piquemal. New intermolecular benchmark calculations on the water dimer: SAPT and supermolecular post-Hartree-Fock approaches. International Journal of Quantum Chemistry, Wiley, 2009, 109 (14), pp.3259-3267. ⟨10.1002/qua.22299⟩. ⟨hal-02126824⟩

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