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The benchmark of gutzwiller density functional theory in hydrogen systems

✍ Scribed by Y. X. Yao; C. Z. Wang; K. M. Ho

Book ID
112185638
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
413 KB
Volume
112
Category
Article
ISSN
0020-7608

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The benchmark of Gutzwiller density func
The benchmark of Gutzwiller density functional theory in hydrogen systems
✍ Y. X. Yao; C. Z. Wang; K. M. Ho πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 292 KB

## 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