Density-functional studies of plasmons in small metal clusters

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Absorption
  • Electrons
  • Gold / chemistry*
  • Photons
  • Quantum Theory*
  • Spectrum Analysis

Substances

  • Gold