𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Simulation of small positively charged MgO clusters and study of their electronic densities

✍ Scribed by C. Coudray; G. Blaise; M.J. Malliavin


Publisher
Springer
Year
2000
Tongue
English
Weight
226 KB
Volume
11
Category
Article
ISSN
1434-6060

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


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

Geometries, stabilities and electronic p
✍ Shi Shun-Ping; Cao Yi-Ping; Zhai Ai-Ping; Li Yang; Jin Xing-Xing πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 623 KB

The host Ga n ΓΎ 1 and doped Ga n Nb (n ΒΌ 1-9) clusters with several spin configurations have been systematically investigated by a relativistic density functional theory (DFT) with the generalized gradient approximation. The optimized equilibrium geometries tend to prefer the close-packed configurat