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Cusp relation for the Pauli potential
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
2014 (English)In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 90, no 6, 062515- p.Article in journal (Refereed) Published
Abstract [en]

In orbital-free density functional theory, only a Schrodinger-like equation has to be solved for the square root of the electron density. In this equation, however, there is an extra potential in addition to the Kohn-Sham potential, the so-called Pauli potential. Cusp relations are now presented for this Pauli potential for spherically symmetric systems.

Place, publisher, year, edition, pages
2014. Vol. 90, no 6, 062515- p.
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Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-242867DOI: 10.1103/PhysRevA.90.062515ISI: 000346824600010OAI: oai:DiVA.org:uu-242867DiVA: diva2:786053
Available from: 2015-02-04 Created: 2015-02-02 Last updated: 2017-12-05Bibliographically approved

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Vitos, Levente

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