scholarly journals Region of validity of the Thomas–Fermi model with quantum, exchange and shell corrections

2016 ◽  
Vol 774 ◽  
pp. 012006
Author(s):  
S A Dyachkov ◽  
P R Levashov ◽  
D V Minakov
Keyword(s):  
Fermi Model ◽  
Thomas Fermi

Comparison of Variational Solutions of the Thomas-Fermi Model in Terms of the Corrected Ionization Energy

1987 ◽  
Vol 42 (9) ◽  
pp. 943-947
Author(s):  
I. Agil ◽  
A. Alharkan ◽  
H . Alhendi ◽  
A. Alnaghmoosh
Keyword(s):  
Ionization Energy ◽  
Trial Function ◽  
Binding Energies ◽  
Initial Slope ◽  
Fermi Model ◽  
Thomas Fermi ◽  
Variational Solutions ◽  
Comparison Of The Results

It is shown that leading corrections, to the ionization energy, of many-electrons atom, can be expressed as leading corrections of initial slope of trial variational solutions of the Thomas-Fermi equation. Some variational solutions with different initial slopes are compared. A comparison of the results shows, that as far as the binding energies are concerned a trial function with its slope not close to the (negative) Baker’s constant may not be suited.

On sodium clusters in C60 fullerides

1997 ◽  
Vol 75 (1) ◽  
pp. 77-82 ◽  
Author(s):  
M. Apostol ◽  
F. Rachdi ◽  
C. Goze ◽  
L. Hajji
Keyword(s):  
Electric Charge ◽  
The Body ◽  
Electron Charge ◽  
Body Centered Cubic ◽  
Fermi Theory ◽  
Fermi Model ◽  
Thomas Fermi ◽  
Sodium Clusters ◽  
Alkali Fullerides

Sodium (Na) clusters in octahedral cages of Na-intercalated fullerides Na6C60 and Na11C60 are studied within a Thomas–Fermi model. It is shown that the tetrahedral Na4 cluster in Na6C60 has an electric charge ~ +2.7 (in electron charge units), while the body-centered cubic Na9 cluster in Na11C60 is almost electrically neutral. Keywords: sodium clusters, alkali fullerides, Thomas–Fermi theory, ionization charge.

The Thomas-Fermi model: momentum expectation values

1983 ◽  
Vol 44 (3) ◽  
pp. 333-342 ◽  
Author(s):  
I.K. Dmitrieva ◽  
G.I. Plindov
Keyword(s):  
Expectation Values ◽  
Fermi Model ◽  
Thomas Fermi

scholarly journals X ɑ Method with Pseudopotentials

1980 ◽  
Vol 35 (6) ◽  
pp. 628-636 ◽  
Author(s):  
Levente Szasz
Keyword(s):  
Shell Structure ◽  
Virial Theorem ◽  
Radial Density ◽  
Fermi Model ◽  
New Formalism ◽  
Density Dependent ◽  
Thomas Fermi

The l a method for an atom or molecule is transformed into an all-electron pseudopotential formalism. The equations of the X ɑ method are exactly transformed into pseudo-orbital equations and the resulting pseudopotentials are replaced by simple density-dependent potentials derived from Thomas-Fermi model. It is shown that the new formalism satisfies the virial theorem. As the first application it is shown that the model explains the shell-structure of atoms by the property that the pseudo-orbitals for the (ns), (np), (nd) etc. electrons are, in a very good approximation, the solutions of the same equation and have their maxima at the same point thereby creating the peaks in the radial density characterizing the shell structure

Thomas-Fermi model of electronic screening in semiconductor nanocrystals

2006 ◽  
Vol 74 (3) ◽  
pp. 519-525 ◽  
Author(s):  
D Ninno ◽  
F Trani ◽  
G Cantele ◽  
K. J Hameeuw ◽  
G Iadonisi ◽  
...  
Keyword(s):  
Semiconductor Nanocrystals ◽  
Fermi Model ◽  
Thomas Fermi ◽  
Electronic Screening

PRESSURE COMPARISON BETWEEN THE SPHERICAL CELLULAR MODEL AND THE THOMAS-FERMI MODEL

2007 ◽  
Vol 21 (13n14) ◽  
pp. 2045-2054 ◽  
Author(s):  
GEORGE A. BAKER
Keyword(s):  
Fermi Gas ◽  
Ideal Gas ◽  
The Other ◽  
Cellular Model ◽  
Fermi Model ◽  
Thomas Fermi ◽  
Other Hand ◽  
The Ideal

The widely used Thomas Fermi model always produces pressure which is less than or equal to that of the ideal Fermi gas. On the other hand the spherical cellular model, in certain regions of the temperature-density plane, can produce pressures which are greater than that of the ideal gas. This phenomenon is investigated.

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