A Simple Approximation for the Pauli Potential Yielding Self-Consistent Electron Densities Exhibiting Proper Atomic Shell Structure

• A simple approximation for the Pauli potential for the groundstate of atomic systems is given, which in connection with Hohenberg-Kohn variational procedure yields self-consistent electron densities exhibiting proper atomic shell structure. (C) 2015 Wiley Periodicals, Inc.

Ämnesord

NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

Nyckelord

orbital-free density-functional theory; atomic shell structure; self-consistent electron densities; Pauli potential; shell structure-based functionals

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