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Electron dynamics in strongly excited sodium clusters: a density-functional study with self-interaction correction

C A Ullrich et al 1998 J. Phys. B: At. Mol. Opt. Phys. 31 1871-1885   doi: 10.1088/0953-4075/31/9/006  Help

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C A Ullrich-+, P-G Reinhard++ and E Suraud§
-+ Department of Physics, University of Missouri, Columbia, MO 65211, USA
++ Institut für Theoretische Physik, Universität Erlangen, Staudtstrasse 7, D-91058 Erlangen, Germany
§ Laboratoire de Physique Quantique, Université Paul Sabatier, 118 route de Narbonne, F-31062 Toulouse Cedex, France

Abstract. We study the linear and nonlinear electron dynamics of a cluster using time-dependent density functional theory. Exchange-correlation (xc) effects are treated in the adiabatic local density approximation with and without self-interaction correction (SIC). The latter is implemented within the time-dependent optimized effective potential method, leading to a self-interaction-free xc potential which is orbital independent. The method is applied to compare the electronic response of the cluster, calculated with and without SIC, in different dynamical regimes. We focus on the dipole response in the weakly excited regime, and on multiphoton ionization induced by strong femtosecond laser pulses. It is found that including SIC produces minor differences in the dipole power spectra and leaves the ionization mechanism essentially unchanged.

Print publication: Issue 9 (14 May 1998)
Received 5 February 1998

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