BINDING-ENERGIES OF GERMANIUM CLUSTERS, GE-N (N=2-5)

Citation
Pw. Deutsch et al., BINDING-ENERGIES OF GERMANIUM CLUSTERS, GE-N (N=2-5), Chemical physics letters, 270(5-6), 1997, pp. 413-418
Citations number
34
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
270
Issue
5-6
Year of publication
1997
Pages
413 - 418
Database
ISI
SICI code
0009-2614(1997)270:5-6<413:BOGCG(>2.0.ZU;2-C
Abstract
Gaussian-2 (G2) theory for third-row non-transition elements is used t o calculate energies of germanium clusters, Ge-n (n = 2-5). The G2 ene rgies are used to derive accurate binding energies for the clusters. T he results for Ge-2 and Ge-3 are in agreement with experiment while th ere is some disagreement for Ge-4 and Ge-5. The binding energies are a lso calculated using the B3LYP density functional method with the 6-31 1 + G(3df,2p) basis set and compared with the G2 results and experimen t.