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Density-functional studies of plasmons in small metal clusters.

作者信息

Lian Ke-Yan, Sałek Paweł, Jin Mingxing, Ding Dajun

机构信息

Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China.

出版信息

J Chem Phys. 2009 May 7;130(17):174701. doi: 10.1063/1.3119310.

Abstract

We study the formation of plasmon modes of small gold clusters by modeling the excitation spectra. The shape change of the longitudinal mode as a function of cluster size is studied using time-dependent Kohn-Sham theory and Gaussian basis sets. The presence of d electrons in gold atoms affect the plasmon formation process, resulting in a high excitation energy for transverse mode and a complicated spectra profile in general. The transverse mode can still be identified with the help of a frozen-orbital approximation.

摘要

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