Excitations in Time-Dependent Density-Functional Theory
- 31 January 2003
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 90 (4) , 043005
- https://doi.org/10.1103/physrevlett.90.043005
Abstract
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.Keywords
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