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A computational strategy for the evaluation of the crystal lattice constantsand cohesive energy of the weakly bound molecular solids is proposed. Thestrategy is based on the high level ab initio coupled-cluster determination ofthe pairwise additive contribution to the interaction energy. Thezero-point-energy correction and non-additive contributions to the interactionenergy are treated using density functional methods. The experimental crystallattice constants of the solid benzene are reproduced, and the value of 480meV/molecule is calculated for its cohesive energy.

Ab initio investigation of intermolecular interactions in solid benzene