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Long-range-corrected hybrids including random phase approximation correlation

✍ Scribed by Janesko, Benjamin G.; Henderson, Thomas M.; Scuseria, Gustavo E.


Book ID
120519303
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
413 KB
Volume
130
Category
Article
ISSN
0021-9606

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## Abstract We applied an improved long‐range correction scheme including a short‐range Gaussian attenuation (LCgau) to the Becke97 (B97) exchange correlation functional. In the optimization of LCgau‐B97 functional, the linear parameters are determined by least squares fitting. Optimizing ΞΌ paramet