Dynamic polarizability of many-electron systems within a time-dependent density-functional theory

Abstract

Using the time-dependent extension, proposed by us recently, of the Hohenberg-Kohn-Sham density-functional theory, in the presence of an oscillating electric field, we suggest a Karplus-Kolker-type variation-perturbation method for the calculation of dynamic 2^L-pole polarizability of many-electron systems. As an illustration of the present density-functional formalism, the frequency-dependent dipole polarizability of He atom has been calculated in the frequency range 0 ≤ ω ≤0.65 au, using local density forms of the exchange and correlation potentials. For ω = 0, the results are numerically better than recent density-functional calculations of the static dipole polarizability of He. The corresponding hydrodynamical formulation, which employs the single-particle density as a basic variable, is also presented.