Hydrodynamic approach to TDDFT; response properties of metal clusters

Details Hydrodynamic approach to TDDFT; response properties of metal clusters Hydrodynamic approach to TDDFT; response properties of metal clusters

2000-03-09

arxiv.org/abs/cond-mat/0003152v3

Physics

Condensed Matter

28 pages and 5 figures in eps format, revised and new references and figures added. resubmitted to Journal of Chemical Physics

Scientific paper

Performing electronic structure calculations for large systems, such as nanoparticles or metal clusters, via orbital based Hartree-Fock or Kohn-Sham theories is computationaly demanding. To study such systems, therefore, we have taken recourse to the hydrodynaic approach to time-dependent density functonal theory. In this paper we develop variation-perturbation method within this theory in terms of the particle and the current densities of a system. We then apply this to study the linear and nnlinear resonse properties of alkali metal clusters within spherical jellium backgrond model.

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