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The quantum defect: the true measure of time-dependent density-functional results for atoms
Meta van Faassen, Kieron Burke
Quantum defect theory is applied to (time-dependent) density-functional calculations of Rydberg series for closed shell atoms: He, Be, and Ne. The performance and behavior of such…
Measuring the kernel of time-dependent density functional theory with X-ray absorption spectroscopy of 3d transition metals
A. Scherz, E. K. U. Gross, H. Appel +4
The 2p-3d core hole interaction in the L2,3 absorption spectra of the 3d transition metals is treated within time-dependent density functional theory (TDDFT). A simple three-level…
Double-Pole Approximation in Time-Dependent Density Functional Theory
H. Appel, E. K. U. Gross, K. Burke
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…
Coordinate scaling in time-dependent current density functional theory
Maxime Dion, Kieron Burke
The coupling constant dependence is derived in time-dependent {\em current} density functional theory. The scaling relation can be used to check approximate functionals and in conj…