Photoelectron spectra of anionic sodium clusters from time-dependent density-functional theory in real-time

Abstract

We calculate the excitation energies of small neutral sodium clusters in the framework of time-dependent density-functional theory. In the presented calculations, we extract these energies from the power spectra of the dipole and quadrupole signals that result from a real-time and real-space propagation. For comparison with measured photoelectron spectra, we use the ionic configurations of the corresponding single-charged anions. Our calculations clearly improve on earlier results for photoelectron spectra obtained from static Kohn-Sham eigenvalues.

References in corpus (6)

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• Excitation energies from density functional perturbation theory
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• Multielectron effects in strong-field ionization of benzene derivatives
• On the challenge to improve the density response with unusual gradient approximations
• Fast calculation of retarded potentials in multi-domain TDDFT