Excitations in time-dependent density-functional theory.
An approximate solution to the time-dependent density-functional theory response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition frequencies and oscillator strengths are usually good approximations to the true values, and why sometimes they are not. The approximation yields simple expressions for Görling-Levy perturbation theory results, and a method for estimating expectation values of the unknown exchange-correlation kernel.
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Department of Physics, Rutgers University, Frelinghuysen Road, Piscataway, New Jersey 08854, USA.
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Burke
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