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Abstract: We recently demonstrated a connection between the random phase approximationRPA and coupled cluster theory J. Chem. Phys. 129, 231101 2008. Based onthis result, we here propose and test a simple scheme for introducinglong-range RPA correlation into density functional theory. Our method providesgood thermochemical results and models van derWaals interactions accurately.



Autor: Benjamin G. Janesko, Thomas M. Henderson, Gustavo E. Scuseria

Fuente: https://arxiv.org/







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