| Literature DB >> 29141433 |
Christof Holzer1, Wim Klopper1.
Abstract
A method for calculating intermolecular induction and dispersion energies based on a GW description of the monomers and employing response functions from the Bethe-Salpeter equation is proposed. Calculations on a test set of 10 weakly bound complexes with GW-based symmetry-adapted perturbation theory (GW-SAPT) show an improved performance in comparison with symmetry-adapted perturbation theory based on density-functional theory (DFT-SAPT).Entities:
Year: 2017 PMID: 29141433 DOI: 10.1063/1.5007929
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488