Optical absorption of silver clusters: A study of the effective potential core size

M. Harb, F. Rabilloud, D. Simon

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

We study the effects of the core size of an effective pseudopotential on the determination of the absorption spectra of Agn (n - 4-22) clusters. In particular, we debate over whether 4s and 4p semicore electrons should be treated as core or valence electrons in the framework of the time-dependent density functional theory. The present study shows that the use of small-core is suitable for the calculation of excited states for large clusters and to describe their electronic nature.

Original languageEnglish (US)
Pages (from-to)186-190
Number of pages5
JournalChemical Physics Letters
Volume476
Issue number4-6
DOIs
StatePublished - Jun 25 2009

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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