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

Authors
Journal
Chemical Physics
0301-0104
Publisher
Elsevier
Publication Date
Volume
71
Issue
2
Identifiers
DOI: 10.1016/0301-0104(82)87030-4

Abstract

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.

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