Van der Waals Interaction Energies of Helium, Neon, and Argon with Naphthalene
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The Hartree−Fock and the Hartree−Fock−Clementi−Corongiu methods (Clementi, E.; Corongiu, G. Theochem. 2001, 543, 39) are selected to compute van der Waals potentials in the systems He2, HeNe, HeAr, Ne2, NeAr, Ar2, benzene−He, benzene−Ne, and benzene−Ar and to determine the parameters needed for HF-CC computations of van der Waals interaction energies of naphthalene−He, naphthalene−Ne, and naphthalene−Ar; shallow double wells are predicted for the above naphthalene systems.