Short-range exchange-correlation energy of a uniform electron gas with modified electron-electron interaction

We calculate the short‐range exchange‐correlation energy of the uniform electron gas with two modified electron–electron interactions. While the short‐range exchange functionals are calculated analytically, coupled‐cluster and Fermi‐hypernetted‐chain calculations are carried out for the correlation...

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Bibliographic Details
Published in:International journal of quantum chemistry 2004-12, Vol.100 (6), p.1047-1056
Main Authors: Toulouse, Julien, Savin, Andreas, Flad, Heinz-Jürgen
Format: Article
Language:English
Subjects:
Chemical Physics
Chemical Sciences
Computational Physics
density functional theory
local density approximation
long-range interaction
or physical chemistry
Physics
short-range interaction
Theoretical and
uniform electron gas
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Summary:We calculate the short‐range exchange‐correlation energy of the uniform electron gas with two modified electron–electron interactions. While the short‐range exchange functionals are calculated analytically, coupled‐cluster and Fermi‐hypernetted‐chain calculations are carried out for the correlation energy and the results are fitted to an analytical parametrization. These data enable us to construct the local density approximation corresponding to these modified interactions. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.20259