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Toward reliable density functional methods without adjustable parameters: The PBE0 model

โœ Scribed by Adamo, Carlo; Barone, Vincenzo


Book ID
111654133
Publisher
American Institute of Physics
Year
1999
Tongue
English
Weight
448 KB
Volume
110
Category
Article
ISSN
0021-9606

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Toward reliable density functional metho
โœ Adamo, Carlo; Barone, Vincenzo ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› American Institute of Physics ๐ŸŒ English โš– 448 KB

We present an analysis of the performances of a parameter free density functional model (PBE0) obtained combining the so called PBE generalized gradient functional with a predefined amount of exact exchange. The results obtained for structural, thermodynamic, kinetic and spectroscopic (magnetic, inf