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A Simple Approximat...
A Simple Approximation for the Pauli Potential Yielding Self-Consistent Electron Densities Exhibiting Proper Atomic Shell Structure
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- Finzel, Kati (författare)
- Linköpings universitet,Institutionen för fysik, kemi och biologi,Tekniska fakulteten
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(creator_code:org_t)
- 2015-08-25
- 2015
- Engelska.
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Ingår i: International Journal of Quantum Chemistry. - : WILEY-BLACKWELL. - 0020-7608 .- 1097-461X. ; 115:23, s. 1629-1634
- Relaterad länk:
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https://urn.kb.se/re...
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visa fler...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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