Open this publication in new window or tab >>2015 (English)In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 91, no 3, article id 032508Article in journal (Other academic) Published
Abstract [en]
For a many-electron system, whether the particle density rho and the total current density j are sufficient to determine the one-body potential V and vector potential A, 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 E_{V_0,A_0}(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 rho and j, we show that a variational principle for Total Current Density Functional Theory as that of Hohenberg-Kohn for Density Functional Theory does not exist. The reason is that the assumed map from densities to the vector potential, written (rho,j) -> A(rho,j;x), enters explicitly in E_{V_0,A_0}(rho,j).
Keywords
Current density functional theory, Hohenberg-Kohn variational principle, total current density
National Category
Mathematics
Research subject
Mathematics
Identifiers
urn:nbn:se:kth:diva-145544 (URN)10.1103/PhysRevA.91.032508 (DOI)000351507900005 ()2-s2.0-84927534389 (Scopus ID)
Note
Updated from manuscript to article.
QC 20150430
2014-05-212014-05-212024-03-15Bibliographically approved