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The self-consistent implementation of exchange-correlation functionals depending on the local kinetic energy density

✍ Scribed by Alexei V Arbuznikov; Martin Kaupp


Book ID
108107828
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
211 KB
Volume
381
Category
Article
ISSN
0009-2614

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Further evidence of the conjoint correct
✍ P. Fuentealba; O. Reyes πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 244 KB

Further evidence is shown that a kinetic energy functional can be used as an exchange energy functional and, conversely, exchange used as a kinetic energy functional, with a proper transformation of energy as a functional of the density. We have used functionals with two adjustable parameters to det