Correction to kinetic energy density functional using exactly solvable model

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Herein we present an accurate correction to the Thomas-Fermi (TF) approximation for the non-interacting kinetic energy. The correction is derived from an entirely solvable model and not through the application of the truncated gradient expansion. The used approach exploits the comparable nature of the difference between the TF approximation and the non-interacting kinetic energy and its analogue within a model of non-interacting electrons that resembles the actually studied problem. For the atom, the used model is a system of N non-interacting electrons moving independently in the Coulomb field of the nuclear charge. It is shown numerically that this correction enhances the accuracy of the TF approximation for atoms by an order of magnitude.

Original languageEnglish
Article number125401
JournalPhysica Scripta
Volume90
Issue number12
DOIs
Publication statusPublished - 6 Nov 2015

Fingerprint

Exactly Solvable Models
Kinetic energy
Density Functional
Energy Density
flux density
kinetic energy
Approximation
approximation
Electron
Solvable Models
atoms
electrons
Charge
analogs
Gradient
Analogue
gradients
expansion
Model

Keywords

  • kinetic energy density functionals
  • orbital-free density functional theory

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Mathematical Physics

Cite this

Correction to kinetic energy density functional using exactly solvable model. / Sergeev, Alexey; Jovanovic, Raka; Kais, Sabre; Alharbi, Fahhad.

In: Physica Scripta, Vol. 90, No. 12, 125401, 06.11.2015.

Research output: Contribution to journalArticle

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