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Analysis of double-hybrid density functionals along the adiabatic connection

โœ Scribed by Cornaton, Yann; Franck, Odile; Teale, Andrew M.; Fromager, Emmanuel

Book ID
120024921
Publisher
Taylor and Francis Group
Year
2013
Tongue
English
Weight
702 KB
Volume
111
Category
Article
ISSN
0026-8976

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Implementation and validation of the Lacks-Gordon exchange functional in conventional density functional and adiabatic connection methods
โœ Adamo, Carlo; Barone, Vincenzo ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 213 KB ๐Ÿ‘ 1 views

We present an analysis of the numerical performances of the exchange functional proposed by Lacks and Gordon, which we have implemented in the Gaussian series of programs. This functional has been built with the double aim of respecting most of the known scaling and asymptotic properties and of givi