Structure of the Fermi hole at surfaces

1988 ◽  
Vol 37 (2) ◽  
pp. 745-754 ◽  
Author(s):  
Manoj K. Harbola ◽  
Viraht Sahni
Keyword(s):  
Fermi Hole

Origin of Hund’s multiplicity rule in singly excited helium: Existence of a conjugate Fermi hole in the lower spin state

2011 ◽  
Vol 83 (3) ◽  
Author(s):  
Tokuei Sako ◽  
Josef Paldus ◽  
Atsushi Ichimura ◽  
Geerd H. F. Diercksen
Keyword(s):  
Spin State ◽  
Lower Spin ◽  
Fermi Hole ◽  
Excited Helium ◽  
Lower Spin State

Fermi hole near a metal surface

1974 ◽  
Vol 46 (7) ◽  
pp. 463-464 ◽  
Author(s):  
J.S. Brown ◽  
R.C. Brown ◽  
N.H. March
Keyword(s):  
Metal Surface ◽  
Fermi Hole

The Fermi hole and the exchange parameter inXαtheory

1976 ◽  
Vol 14 (1) ◽  
pp. 1-10 ◽  
Author(s):  
M. S. Gopinathan ◽  
M. A. Whitehead ◽  
R. Bogdanović
Keyword(s):  
Exchange Parameter ◽  
Fermi Hole

Influence of the Coulomb interaction on the Fermi hole in an electron liquid

1998 ◽  
Vol 255 (1-2) ◽  
pp. 48-64 ◽  
Author(s):  
Masafumi Horiuchi ◽  
Takanori Endo ◽  
Hiroshi Yasuhara
Keyword(s):  
Coulomb Interaction ◽  
Fermi Hole

Fermi hole and 3He structure factor

1966 ◽  
Vol 23 (11) ◽  
pp. 673-675 ◽  
Author(s):  
T. Gaskell ◽  
W. Jones ◽  
N.H. March
Keyword(s):  
Structure Factor ◽  
Fermi Hole

On the shape of spherically averaged Fermi-hole correlation functions in density functional theory. 1. Atomic systems

1989 ◽  
Vol 67 (3) ◽  
pp. 460-472 ◽  
Author(s):  
Vincenzo Tschinke ◽  
Tom Ziegler
Keyword(s):  
Density Functional Theory ◽  
Correlation Function ◽  
Energy Density ◽  
Density Functional ◽  
Exchange Energy ◽  
Energy Density Functional ◽  
Functional Theory ◽  
Atomic Systems ◽  
Hartree Fock ◽  
Fermi Hole

We have compared, for atomic systems, the spherically averaged Fermi-hole correlation function [Formula: see text] in the Hartree–Fock theory with the corresponding function [Formula: see text] employed in local density functional theory. It is shown that, in contrast to [Formula: see text], the function [Formula: see text] behaves qualitatively incorrectly at positions r1 of the reference electron far from the nucleus. Furthermore, we have shown that the qualitatively incorrect behaviour of [Formula: see text] can be remedied by an approximate expansion of [Formula: see text] in powers of s, where s is the inter-electronic distance. However, such an expansion must be conducted in two regions due to the discontinuity of [Formula: see text] as a function of s at the atomic nucleus. Based on the two-region expansion of [Formula: see text] we have developed an alternative approximate density functional expansion [Formula: see text] for the spherically averaged Fermi-hole correlation function. The corresponding exchange energy density functional yields values for the exchange energies of atoms in good agreement with Hartree–Fock results. Keywords: atomic exchange energy, density functional theory, Fermi hole.

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