Thomas-Fermi theory for atomic systems.
The classical Thomas-Fermi theory of the electrons in an atom is amended in a manner that produces continuity of the electron density rho. This is done by imposing the constraint that e(-2kr) [unk](2) rho dr should be finite, with k determined by the nuclear cusp condition, followed or preceded by an optimum coordinate scaling. Electron densities and total energies are shown to be vastly improved.
Department of Chemistry, University of North Carolina, Chapel Hill, NC 27514.
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Parr
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Ghosh