Theoretical calculations of the electronic structure and optical transitions of UF6 and UF5
β Scribed by D.H. Maylotte; R.L. St. Peters; R.P. Messmer
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 330 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The electronic structures of U Fe Sn and UFe Ge are self-consistently calculated within 2 2 2 2 Ε½ . the local density functional theory using the augmented spherical wave ASW method. Calculations are scalar relativistic. The experimentally observed Pauli paramagnetic behavior of the two systems is a
Fig. 4. Molecular structure of6 (C atoms omitted for clarity). Ni: blue, Se: red, P: green. Important distances (f 0.2 pm) and angles (k 0.1 "): In the cuboctahedron: Ni-Ni 260.6-272.4, Nil I-Ni 257.6-280.0; in den Ni,-Kuben: Nil-Ni2 263.8, Ni2-Ni3 265.7, Ni3-Ni4 265.1, Nil-Ni7 262.1, Ni2-Ni8 259.3,