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Density-functional study of bulk and surface properties of titanium nitride using different exchange-correlation functionals

✍ Scribed by Marlo, M.; Milman, V.

Book ID
125807471
Publisher
The American Physical Society
Year
2000
Tongue
English
Weight
227 KB
Volume
62
Category
Article
ISSN
1098-0121

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We present in this work self-consistent density functional theory DFT calculations on atomic electron affinities performed with nonlocal exchange and a local Coulomb correlation functionals. The exchange functionals are the weighted spin-density Ε½ . Ε½ . approximation WSDA symmetrized following the i