most citedAccurate interaction energies from perturbation theory based on Kohn-Sham model

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physics.chem-ph2005★ 2 cited

Accurate interaction energies from perturbation theory based on Kohn-Sham model

Rafał Podeszwa, Krzysztof Szalewicz

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 c…

physics.chem-ph2002

Multiple solutions of CCD equations for PPP model of benzene

Rafał Podeszwa, Leszek Z. Stolarczyk, Karol Jankowski +1

To gain some insight into the structure and physical significance of the multiple solutions to the coupled-cluster doubles (CCD) equations corresponding to the Pariser-Parr-Pople (…