Relativistic treatment of excited electronic states of atomic copper
β Scribed by C. M. Marian; D. Hippe; B. A. Hess; S. D. Peyerimhoff
- Publisher
- Springer
- Year
- 1992
- Tongue
- English
- Weight
- 1013 KB
- Volume
- 81
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The clectran-impact ener&y-loss spectrum of ketene has been measured at impact energics of 30 CV end 50 cV, and SGI~tering angles varying from 5" to 80". Transitions hzvc been observed at 3.7.5.3, and 5.86 cV. These values are in excellent agreement with recent high quality ab initio calculations. T
The results of ab initio SCF and CI calculations on the electronic states of NiCO are reported. The 'X+ ground state is a mixture of two primary configurations associated with the Ni 3d" and 3d94s states, and is bound by 18 kcal mol-' with respect to Ni and CO at R N,C = 1.77 A. The excited states (
The energies of the states below 40000 cm-' have been calculated at the CASPTZ( 3, 8)/ANO level. The symmetry assignments and energies at this level are: 2AI 15798 cm-', 2B2 21791 cm-', 4B, 27528 cm-', 2A, 40304 cm-', 2BI 41596 cm-', and 4A2 46879 cm-'. We expect these energies to be within 1500 cm-