𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structural and electronic properties of small copper clusters: a first principles study

✍ Scribed by Carlo Massobrio; Alfredo Pasquarello; Roberto Car


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
424 KB
Volume
238
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


DFT study of the structural and electron
✍ G. AndrΓ©s Cisneros; Miguel Castro; Dennis R. Salahub πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 613 KB

All-electron calculations were performed for Ni , Ni , and Ni clusters 2 3 4 and their respective anions and cations using density functional theory techniques as implemented in the DGauss code. Both local and generalized gradient-corrected functionals were employed. Three different multiplicities w

Density functional study of structural a
✍ Sunder Veliah; Ravindra Pandey; Y.S. Li; John M. Newsam; Behnam Vessal πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 286 KB

The structural and electronic properties of neutral cube-like MgO clusters comprising of 8, 18, 32, 48 and 64 atoms have been studied using density functional theory. Geometry optimization of all these stoichiometric clusters was done with C2v symmetry. The binding energy and the nearest-neighbor se