✦ LIBER ✦

Variational study of a new approximation for the kinetic energy functional

✍ Scribed by M.D. Glossman

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 387 KB
Volume: 188
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(92)90028-l

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✦ Synopsis

The new kinetic energy functional recently proposed by Plindov and Pogrebnya is analyzed by calculating total atomic energies for the corresponding model using the one-third power of a density constructed from a summation of decaying exponentials. As the number of terms in the summation increases, the corresponding energies tend to the results obtained by exactly solving the Euler equation for this method. Enforcing the model density to satisfy the cusp condition, the corresponding energies are much better and comparable to their Hartree-Fock counterparts. The effect of this improved density distribution on the electron densities at the site of the nucleus is analyzed.

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