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.
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Dates
Type | When |
---|---|
Created | 16 years, 6 months ago (Feb. 27, 2009, 7:32 p.m.) |
Deposited | 2 years ago (Aug. 1, 2023, 1:50 a.m.) |
Indexed | 1 month ago (July 30, 2025, 6:52 a.m.) |
Issued | 16 years, 6 months ago (Feb. 27, 2009) |
Published | 16 years, 6 months ago (Feb. 27, 2009) |
Published Online | 16 years, 6 months ago (Feb. 27, 2009) |
Published Print | 16 years, 6 months ago (Feb. 28, 2009) |
@article{Janesko_2009, title={Long-range-corrected hybrids including random phase approximation correlation}, volume={130}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.3090814}, DOI={10.1063/1.3090814}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Janesko, Benjamin G. and Henderson, Thomas M. and Scuseria, Gustavo E.}, year={2009}, month=feb }