Cusp relation for the Pauli potential
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
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.
Atomic physics, Kohn-sham potential, Orbital-free density functional theory, Pauli potentials, Square roots, Symmetric systems
IdentifiersURN: urn:nbn:se:kth:diva-159377DOI: 10.1103/PhysRevA.90.062515ISI: 000346824600010ScopusID: 2-s2.0-84919742600OAI: oai:DiVA.org:kth-159377DiVA: diva2:785184
QC 201502022015-02-022015-01-292015-02-02Bibliographically approved