Long-range-corrected hybrids including random phase approximation correlation.
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.
Janesko
Benjamin G
BG
Department of Chemistry, Rice University, Houston, Texas 77005, USA.
Henderson
Thomas M
TM
Scuseria
Gustavo E
GE