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Long-range corrected double-hybrid density functionals

✍ Scribed by Chai, Jeng-Da; Head-Gordon, Martin

Book ID: 120308933
Publisher: American Institute of Physics
Year: 2009
Tongue: English
Weight: 568 KB
Volume: 131
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.3244209

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## Abstract The presence of the self‐interaction error in common exchange correlation functionals is one of the main drawbacks of calculations using methods based on Density Functional Theory. The recently developed asymptotically corrected functionals are an alternative way to solve the erroneous