We present density-functional calculations for the interaction energy ofmonosubstituted benzene dimers. Our approach utilizes a recently developedfully nonlocal correlation energy functional, which has been applied to thepure benzene dimer and several other systems with promising results. Theinteraction energy as a function of monomer distance was calculated for fourdifferent substituents in a sandwich and two T-shaped configurations. Inaddition, we considered two methods for dealing with exchange, namely using therevPBE generalized gradient functional as well as full Hartree-Fock. Ourresults are compared with other methods, such as Moller-Plesset andcoupled-cluster calculations, thereby establishing the usefulness of ourapproach. Since our density-functional based method is considerably faster thanother standard methods, it provides a computational inexpensive alternative,which is of particular interest for larger systems where standard calculationsare too expensive or infeasible.
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