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Gradient corrections in the energy density functional

✍ Scribed by J.A. Alonso; L.A. Girifalco

Publisher: Elsevier Science
Year: 1978
Tongue: English
Weight: 185 KB
Volume: 53
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(78)80421-7

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✦ Synopsis

It is shown, by calculations in He and Ne with HF densities, that the improvement obtained when gradient corrections are added to the iocal approximation to the kinetic enegg, arises from a detailed improvement in the kinetic energy density.

Approximate energy density functionals [l] have

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