Physics – Chemical Physics
Scientific paper
2012-02-06
Theor. Chem. Acc. 131, 1069 (2012)
Physics
Chemical Physics
8 pages, 2 figures, 5 tables
Scientific paper
10.1007/s00214-011-1069-7
We show that the traditional concept of the uniform electron gas (UEG) --- a homogeneous system of finite density, consisting of an infinite number of electrons in an infinite volume --- is inadequate to model the UEGs that arise in finite systems. We argue that, in general, a UEG is characterized by at least two parameters, \textit{viz.} the usual one-electron density parameter $\rho$ and a new two-electron parameter $\eta$. We outline a systematic strategy to determine a new density functional $E(\rho,\eta)$ across the spectrum of possible $\rho$ and $\eta$ values.
Gill Peter M. W.
Loos Pierre-François
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