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A Simple Approximation for the Pauli Potential Yielding Self-Consistent Electron Densities Exhibiting Proper Atomic Shell Structure
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- Finzel, Kati (author)
- Linköpings universitet,Institutionen för fysik, kemi och biologi,Tekniska fakulteten
- (creator_code:org_t)
- 2015-08-25
- 2015
- English.
- In: International Journal of Quantum Chemistry. - : WILEY-BLACKWELL. - 0020-7608 .- 1097-461X. ; 115:23, s. 1629-1634
- Journal article (peer-reviewed)
Abstract
Subject headings
Close
- 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.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Keyword
- orbital-free density-functional theory; atomic shell structure; self-consistent electron densities; Pauli potential; shell structure-based functionals
Publication and Content Type
- ref (subject category)
- art (subject category)
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