Journal
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Volume 115, Issue 23, Pages 1629-1634Publisher
WILEY
DOI: 10.1002/qua.24986
Keywords
orbital-free density-functional theory; atomic shell structure; self-consistent electron densities; Pauli potential; shell structure-based functionals
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Funding
- Alexander von Humboldt Foundation
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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.
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