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Benchmark Study of Density Cumulant Functional Theory: Thermochemistry and Kinetics

✍ Scribed by Copan, Andreas V.; Sokolov, Alexander Yu.; Schaefer, Henry F.


Book ID
121858200
Publisher
American Chemical Society
Year
2014
Tongue
English
Weight
923 KB
Volume
10
Category
Article
ISSN
1549-9618

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The benchmark of Gutzwiller density func
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## Abstract We propose an approximate form of the exchange‐correlation energy functional for the Gutzwiller density functional theory. It satisfies certain physical constraints in both weak and strong electron correlation limits. We benchmark the Gutzwiller density functional approximation in the h