✦ LIBER ✦
Convergence from clusters to the bulk solid: Ab initio calculations of (MgO)x (x=2–16) clusters
✍ Scribed by Xin Lü; Xin Xu; Nanqin Wang; Qianer Zhang
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 239 KB
- Volume
- 73
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
However, an important question one should answer is to what extent a cluster consisting of only a few atoms behaves similarly to the respective bulk solid. Since the electronic state of a finite cluster may differ significantly from that of the bulk, it is of particular importance to examine the stability of the computed properties with respect to the changes in the cluster size, so as to judge the reliability of the cluster models. Taking ZnO solid