| Literature DB >> 19256590 |
Benjamin G Janesko1, Thomas M Henderson, Gustavo E Scuseria.
Abstract
We recently demonstrated a connection between the random phase approximation (RPA) and coupled cluster theory [G. E. Scuseria et al., J. Chem. Phys. 129, 231101 (2008)]. Based on this result, we here propose and test a simple scheme for introducing long-range RPA correlation into density functional theory. Our method provides good thermochemical results and models van der Waals interactions accurately.Entities:
Year: 2009 PMID: 19256590 DOI: 10.1063/1.3090814
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488