title: Hydrodynamic tensor density functional theory with correct susceptibility.
abstract: In a previous work the authors developed a family of orbital-free tensor equations for the density functional theory [J. Chem. Phys. 124, 024105 (2006)]. The theory is a combination of the coupled hydrodynamic moment equation hierarchy with a cumulant truncation of the one-body electron density matrix. A basic ingredient in the theory is how to truncate the series of equation of motion for the moments. In the original work the authors assumed that the cumulants vanish above a certain order (N). Here the authors show how to modify this assumption to obtain the correct susceptibilities. This is done for N=3, a level above the previous study. At the desired truncation level a few relevant terms are added, which, with the right combination of coefficients, lead to excellent agreement with the Kohn-Sham Lindhard susceptibilities for an uninteracting system. The approach is also powerful away from linear response, as demonstrated in a nonperturbative study of a jellium with a repulsive core, where excellent matching with Kohn-Sham simulations is obtained, while the Thomas-Fermi and von Weiszacker methods show significant deviations. In addition, time-dependent linear response studies at the new N=3 level demonstrate the author's previous assertion that as the order of the theory is increased new additional transverse sound modes appear mimicking the random phase approximation transverse dispersion region.
authors: Department of Chemistry and Biochemistry, University of California at Los Angeles, Los Angeles, California 90095-1569, USA.
authors: Igor V
authors: IV
authors: Ovchinnikov
authors: Lizette A
authors: LA
authors: Bartell
authors: Daniel
authors: D
authors: Neuhauser