The density-functional based symmetry-adapted perturbation theory [SAPT(DFT)] has been applied to the argon, krypton, and benzene dimers. It is shown that--at a small fraction of computational costs--SAPT(DFT) can provide similar accuracies for the interaction energies as high-level wave-function based methods with extrapolations to the complete basis set limits. This accuracy is significantly higher than that of any other DFT or DFT-based approaches proposed to date.
@article{arxiv.physics/0501023,
title = {Accurate interaction energies from perturbation theory based on Kohn-Sham model},
author = {Rafał Podeszwa and Krzysztof Szalewicz},
journal= {arXiv preprint arXiv:physics/0501023},
year = {2007}
}