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Nonexistence of a Hohenberg-Kohn variational principle in total current-density-functional theory
Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Mathematics, Applied Mathematics and Statistics.
2015 (English)In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 91, no 3, 032508Article in journal (Refereed) Published
Abstract [en]

For a many-electron system, whether the particle density rho(r) and the total current density j(r) are sufficent to determine the one-body potential V (r) and vector potential A(r) is still an open question. For the one-electron case, a Hohenberg-Kohn theorem exists formulated with the total current density. Here we show that the generalized Hohenberg-Kohn energy functional epsilon(V0,A0)(rho,j) = <psi(rho,j), H(V-0,A(0))psi(rho,j)> can be minimal for densities that are not the ground-state densities of the fixed potentials V-0 and A(0). Furthermore, for an arbitrary number of electrons and under the assumption that a Hohenberg-Kohn theorem exists formulated with. and j, we discuss the possibility of a variational principle in total current-density-functional theory such as that of Hohenberg-Kohn.

Place, publisher, year, edition, pages
2015. Vol. 91, no 3, 032508
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-252004DOI: 10.1103/PhysRevA.91.032508ISI: 000351507900005OAI: oai:DiVA.org:uu-252004DiVA: diva2:810556
Available from: 2015-05-07 Created: 2015-04-28 Last updated: 2017-12-04Bibliographically approved

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Laestadius, André

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