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arXiv · 0901.3935

Long-range-corrected hybrids including RPA correlation

Benjamin G. Janesko·Thomas M. Henderson·Gustavo E. Scuseria
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Abstract

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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Benjamin G. Janesko, Thomas M. Henderson, Gustavo E. Scuseria. 2009-02-07. Long-range-corrected hybrids including RPA correlation. https://doi.org/10.1063/1.3090814

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