Analysis of van der Waals Interaction Energies from Quantum Chemistry: Aromatic Clusters and Rare Gas Dimers

The weak van der Waals (vdW) interactions in aromatic clusters and rare gas systems are studied using ab initio quantum chemistry and the Hartree-Fock Dispersion (HFD) method. The results, extrapolated to the complete basis set limit and along with comparisons to experiment, are used to understand and explain a fortuitous cancellation of errors in the benzene interaction calculations. Additionally, interesting results are found for the all-electron calculations for argon.