Long-range-corrected hybrids including RPA correlation
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❄️ cond-mat.mtrl-sci
keywords
correlationtheoryaccuratelyapproximationchemclusterconnectioncoupled
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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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