Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 130, Issue 8, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.3090814
Keywords
coupled cluster calculations; density functional theory; RPA calculations; thermochemistry; van der Waals forces
Funding
- National Science Foundation [CHE-0807194]
- Welch Foundation [C-0036]
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We recently demonstrated a connection between the random phase approximation (RPA) and coupled cluster theory [G. E. Scuseria , 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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