The gradient expansion of the kinetic energy density functional, when applied to atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the integral by replacing the asymptotic series including the sixth order term in the integrand by a rational function. Padé approximants show moderate improvements in accuracy in comparison with partial sums of the series. The results are discussed for atoms and Hooke's law model for two-electron atoms.
|Journal||Journal of Physics: Conference Series|
|Publication status||Published - 4 May 2016|
|Event||1st International Physics Conference at the Anatolian Peak, IPCAP 2016 - Erzurum, Turkey|
Duration: 25 Feb 2016 → 27 Feb 2016
ASJC Scopus subject areas
- Physics and Astronomy(all)