FIRST-PRINCIPLE MOLECULAR-DYNAMICS CALCULATION OF SELENIUM CLUSTERS

Authors
UEHARA K ISHITOBI M ODA T HIWATARI Y
Citation
K. Uehara et al., FIRST-PRINCIPLE MOLECULAR-DYNAMICS CALCULATION OF SELENIUM CLUSTERS, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 40(1-4), 1997, pp. 472-475
Citations number
21
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Zeitschrift fur Physik. D, Atoms, molecules and clusters → ACNP
ISSN journal
01787683
Volume
40
Issue
1-4
Year of publication
1997
Pages
472 - 475
Database
ISI
SICI code
0178-7683(1997)40:1-4<472:FMCOSC>2.0.ZU;2-J
Abstract
The equiliblium structures of small selenium clusters are obtained via first-principle molecular dynamics calculations based on the Lineariz ed-augmented-plane-wave (LAPW) method. Resulting equiliblium structure s show a good agreement with experimental data and other first-princip le calculations.