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Nonlocal correlation functional involving the Laplacian of the density

✍ Scribed by E.I. Proynov; A. Vela; D.R. Salahub


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
885 KB
Volume
230
Category
Article
ISSN
0009-2614

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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