Effect of spin-orbit coupling on the structure of the electron ground state in silicon nanocrystals
β Scribed by Konakov, A. A.; Kurova, N. V.; Burdov, V. A.
- Book ID
- 121607496
- Publisher
- Springer
- Year
- 2013
- Tongue
- English
- Weight
- 188 KB
- Volume
- 47
- Category
- Article
- ISSN
- 1063-7826
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π SIMILAR VOLUMES
## Abstract __Ab initio__ calculations on the lowβlying electronic states of SiF^+^ are performed using the internally contracted multireference configuration interaction method with the Davidson correction and entirely uncontracted augβccβpV5Z basis set. The effects of spinβorbit coupling are acco
It is shown that the spin-orbit coupling constant, f, far a series of 3d transition metal ions may be rtkfzctoriIy evaluated using approximate double-zeta SCF functions. The radial distance dependence of [ has been calculated, and the results indicate that the reduction of 4 below the free-ion value