• English
  • Deutsch
  • Log In
    or
  • Research Outputs
  • Projects
  • Researchers
  • Institutes
  • Statistics
Repository logo
Fraunhofer-Gesellschaft
  1. Home
  2. Fraunhofer-Gesellschaft
  3. Artikel
  4. Density-functional based tight-binding study of small gold clusters
 
  • Details
  • Full
Options
2006
  • Zeitschriftenaufsatz

Titel

Density-functional based tight-binding study of small gold clusters

Abstract
In this paper, we report the ability of self-consistent-charge density-functional based tight-binding method to describe small gold clusters. We concentrate our investigations mainly on anions, and find that the method describes their geometric and electronic structures fairly well, in comparison with density-functional calculations. In particular, the method correctly reproduces the planarity of ground-state structures up to cluster sizes in agreement with experiment and density-functional theory.
Author(s)
Koskinen, P.
Häkkinen, H.
Seifert, G.
Sanna, S.
Frauenheim, T.
Moseler, M.
Zeitschrift
New journal of physics. Online journal
DOI
10.1088/1367-2630/8/1/009
File(s)
001.pdf (419.91 KB)
Language
Englisch
google-scholar
IWM
Tags
  • density functional th...

  • self-consistent-field...

  • spectroscopy and geom...

  • Cookie settings
  • Imprint
  • Privacy policy
  • Api
  • Send Feedback
© 2022