𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Geometrical, electronic, and magnetic properties of small AunSc (n=1–8) clusters

✍ Scribed by Die Dong; Kuang Xiao-Yu; Zhu Bing; Guo Jian-Jun


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
910 KB
Volume
406
Category
Article
ISSN
0921-4526

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Geometry, electronic structure, and magn
✍ F.A. Reuse; S.N. Khanna 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 390 KB

Electronic structure, geometries, and magnetic moments of small Ni n (n = 2-6, 8, 13) clusters have been studied using a linear combination of atomic orbital-molecular orbital approach within the density functional formalism. The clusters are found to exhibit an abundance of electronic states corres

Theoretical study of siliconsodium bina
✍ Reiko Kishi; Atsushi Nakajima; Suehiro Iwata; Koji Kaya 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 387 KB

The geometries, ionization energies and adsorption energies of silicon-sodium binary clusters (SinNa, n = 1-7) were studied with ab initio MO calculations. All the calculations were carried out at the restricted Hartree-Fock level of approximation for both closed and open shell systems. The structur

DFT study of the structural and electron
✍ G. Andrés Cisneros; Miguel Castro; Dennis R. Salahub 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 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