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Double-hybrid density functionals

✍ Scribed by Goerigk, Lars; Grimme, Stefan


Book ID
126253849
Publisher
Wiley (John Wiley & Sons)
Year
2014
Tongue
English
Weight
608 KB
Volume
4
Category
Article
ISSN
1759-0876

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## Abstract This study emphasizes on the performance of six newly developed double‐hybrid density functionals (DHDF) in explaining the potential energy curves of different carbondioxide rare‐gas systems. The basis set sensitivity has also been explored with the use of three basis sets. Our results