Generalized time-dependent density-functional theory including core polarization |
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Authors: | Llorenç Serra Angel Rubio |
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Affiliation: | (1) Departament de Física, Universitat de les Illes Balears, E-07071 Palma de Mallorca, Spain;(2) Departamento de Física Teórica, Universidad de Valladolid, E-47011 Valladolid, Spain |
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Abstract: | A generalization of the time-dependent density-functional-theory for metal clusters which treats both valence and core polarization on the same microscopic basis is presented. The selfconsistency between valence and core responses is taken into account by means of a modified kernel and external field in the linearized response equations. The general case of an arbitrary external field and cluster structure, with given specific atomic positions, is presented. Presented by Ll. Serra at the International Conference on “Atomic Nuclei and Metallic Clusters”, Prague, September 1–5, 1997. |
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