The structural growth sequences and electronic properties of Au n (n ΒΌ 14 ΓΎ 6m and m ΒΌ 0, 1, 2, 3, 4, 5, 6, and 10) clusters have been investigated using the DMol 3 DFT package. The structures of Au n (n ΒΌ 20, 26, 32, 38, 44, 50, and 74) are obtained in turn by directly adding a gold ring of six ato
β¦ LIBER β¦
Structural Growth Sequences and Electronic Properties of Lanthanum-Doped-Gold Clusters
β Scribed by Li-Xia Zhao; Xiao-Juan Feng; Meng Zhang; You-Hua Luo
- Publisher
- Springer
- Year
- 2010
- Tongue
- English
- Weight
- 592 KB
- Volume
- 21
- Category
- Article
- ISSN
- 1040-7278
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Structural growth sequences and electron
β
Li-Xia Zhao; Yong-Min Lei; Meng Zhang; Xiao-Juan Feng; You-Hua Luo
π
Article
π
2009
π
Elsevier Science
π
English
β 336 KB
Structure, stability and electronic prop
β
Xiao-Jun Li; Ke-He Su
π
Article
π
2009
π
Springer
π
English
β 659 KB
The structural and electronic properties
β
Y.H. Zhou; Z. Zeng; X. Ju
π
Article
π
2009
π
Elsevier Science
π
English
β 266 KB
Electronic and structural properties of
β
JosΓ©Luis Martins; Jean Buttet; Roberto Car
π
Article
π
1985
π
Elsevier Science
β 44 KB
Structural, electronic and magnetic prop
β
Xiangjun Kuang; Xinqiang Wang; Gaobin Liu
π
Article
π
2011
π
Springer
π
English
β 1001 KB
Structural and electronic properties of
β
Ying Li; Di Wu; Zhi-Ru Li; Chia-Chung Sun
π
Article
π
2007
π
John Wiley and Sons
π
English
β 347 KB
π 1 views
## Abstract The lowestβenergy structures and electronic properties of the BLi__~n~__ (__n__ = 1β7) clusters are reported using the B3LYP, MP2, and CCSD(T) methods with the augβccβpVDZ basis set. Though the results at the B3LYP level agree well with those at the CCSD(T) level, the MP2 method is rath