Applications of time-dependent density functional theory
|Applications of time-dependent density functional theory
Botti, S (Reprint Author), CNRS CEA Ecole Polytech, Solides Irradies Lab, F-91128 Palaiseau, France. CNRS CEA Ecole Polytech, Solides Irradies Lab, F-91128 Palaiseau, France.
|IOP PUBLISHING LTD
|Year of Publication
|Type of Work
The progress of experimental techniques makes more and more precise measurements available. Their interpretation requires improved theoretical tools. The time-dependent density functional theory (TDDFT) allows to study electronic excitations involved in spectroscopic experiments, possibly conserving a computational effort comparable to that of ground-state density functional theory. I will present some applications of TDDFT to the calculation of absorption and electron energy loss spectra in extended and finite systems, discussing the advantages and the limits of different approximation schemes.