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.
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Serra, L., Rubio, A. Generalized time-dependent density-functional theory including core polarization. Czech J Phys 48, 756–759 (1998). https://doi.org/10.1023/A:1021422613240
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DOI: https://doi.org/10.1023/A:1021422613240