Orbital-free tensor density functional theory.
We propose a family of time-dependent orbital-free density-based theories that go beyond the usual current-density description of electrons or other particles. The theories deal with physical quantities that characterize the one-particle density matrix and consequently the kinetics of the particles. We analyze the first two theories in the family. The "lowest-order" theory is quantum hydrodynamics. The second one yields not only the longitudinal plasmon collective excitations, but also the transverse phonon modes that are associated with elementary excitations in Fermi liquids. The theories should make it feasible to do large orbital-free simulations of time-dependent and stationary systems.
Ovchinnikov
Igor V
IV
Department of Chemistry and Biochemistry, University of California at Los Angeles, Los Angeles, California 90095-1569, USA.
Neuhauser
Daniel
D