This site uses cookies. By continuing to use this site you agree to our use of cookies. To find out more, see our Privacy and Cookies policy.
Brought to you by:
The following article is Open access

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

, , , , and

Published 30 January 2006 Published under licence by IOP Publishing Ltd
, , Citation P Koskinen et al 2006 New J. Phys. 8 9 DOI 10.1088/1367-2630/8/1/009

1367-2630/8/1/9

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.

Export citation and abstract BibTeX RIS

Please wait… references are loading.
10.1088/1367-2630/8/1/009