𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Atom-Centered Functions in the Optimized Thomas-Fermi Theory

✍ Scribed by Gary G. Hoffman

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
225 KB
Volume
116
Category
Article
ISSN
0021-9991

No coin nor oath required. For personal study only.

✦ Synopsis

In the application of the optimized Thomas-Fermi theory to condensed phase systems, it has proved convenient to introduce a sum of atom-centered functions to represent the most rapidly varying part of the electron density near the nuclei. By extraction of this portion of the density, attention can be focused on the more slowly varying portion, allowing numerical techniques to be employed without being hindered by a prohibitively high density of grid points. Dealing with these atom-centered functions is facilitated by the closed-form evaluation of some nontrivial integrals. For the case of exponential functions, these integrals are evaluated here and specific methods for their computation are presented. (c) 1995 Academic Press, Inc.

πŸ“œ SIMILAR VOLUMES

Kinetic energy functional derivative for
Kinetic energy functional derivative for the Thomas–Fermi atom in D dimensions
✍ Norman H. March; Sabre Kais πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 116 KB πŸ‘ 1 views

The self-consistent Thomas᎐Fermi atom satisfying Poisson's equation in D dimensions has a functional derivative of the kinetic energy T with respect to the Ž . 2rD 1y2rD ground-state density n r proportional to n . But the Poisson equation relates n to ''reduced'' density derivatives n y1Ž d 2 n r d

Density functional theory of the trapped
Density functional theory of the trapped Fermi gas in the unitary regime
✍ B.P. van Zyl; D.A.W. Hutchinson πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 122 KB

We investigate a density-functional theory (DFT) approach for an unpolarized trapped dilute Fermi gas in the unitary limit. A reformulation of the recent work of T. Papenbrock [1] in the language of fractional exclusion statistics allows us to obtain an estimate of the universal factor, ΞΎ~3D~, in th