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Double-Pole Approximation in Time-Dependent Density Functional Theory

H. Appel·E. K. U. Gross·K. Burke
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Abstract

A simple approximate solution to the linear response equations of time-dependent density functional theory (TDDFT) is given. This extends the single-pole approximation (SPA) to two strongly-coupled poles. The analysis provides both an illustration of how TDDFT works when strong exchange-correlation effects are present and insight into such corrections. For example, interaction can cause a transition to vanish entirely from the optical spectrum.

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H. Appel, E. K. U. Gross, K. Burke. 2005-10-14. Double-Pole Approximation in Time-Dependent Density Functional Theory. https://doi.org/10.1002/qua.20964

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