Long-range-corrected hybrids including RPA correlation

Details Long-range-corrected hybrids including RPA correlation Long-range-corrected hybrids including RPA correlation

2009-01-26

arxiv.org/abs/0901.3935v2

Physics

Condensed Matter

Materials Science

Accepted version of the manuscript

Scientific paper

10.1063/1.3090814

We recently demonstrated a connection between the random phase approximation
(RPA) and coupled cluster theory [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 derWaals interactions accurately.

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