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Expansions of density functionals in terms of homogeneous functionals:Justification and nonlocal representation of the kinetic energy, exchange energy,and classical Coulomb repulsion energy for atoms

✍ Scribed by Liu, Shubin; Parr, Robert G.


Book ID
121880874
Publisher
The American Physical Society
Year
1997
Tongue
English
Weight
129 KB
Volume
55
Category
Article
ISSN
1050-2947

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Kinetic energy density in terms of elect
✍ C. Amovilli; N. H. March πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 119 KB

A long-term aim in density functional theory is to obtain the kinetic Ε½ . Ε½ . Ε½ . energy density t r in terms of the ground-state electron density r . Here, t r is Ε½ . written explicitly in terms of r for an arbitrary number N N of closed shells in a bare Ε½ . Coulomb field. In the limit as N N Βͺ Ο±,