Year: 2003
Type: article
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.
Source: Physical Review Letters
Authors: H. Appel, E. K. U. Gross, K. Burke
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W1980531579