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Cusp relation for the Pauli potential
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics. Uppsala University, Sweden; Wigner Research Centre for Physics, Hungary.ORCID iD: 0000-0003-2832-3293
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.
Keyword [en]
Atomic physics, Kohn-sham potential, Orbital-free density functional theory, Pauli potentials, Square roots, Symmetric systems
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-159377DOI: 10.1103/PhysRevA.90.062515ISI: 000346824600010ScopusID: 2-s2.0-84919742600OAI: diva2:785184

QC 20150202

Available from: 2015-02-02 Created: 2015-01-29 Last updated: 2015-02-02Bibliographically approved

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