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.
Original language | English |
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Pages (from-to) | 2840-2847 |
Number of pages | 8 |
Journal | International Journal of Quantum Chemistry |
Volume | 106 |
Issue number | 14 |
DOIs | |
State | Published - 15 Nov 2006 |
Externally published | Yes |
Keywords
- Excitation energies
- Oscillator strengths
- Response
- TDDFT