Ab initio calculations on Fe2S2(SH)
β Scribed by Yu Wei-Zhou; Li Xiao-Tian; Zhang Ming-Yu; Jiang Yuan-Sheng
- Book ID
- 112058722
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 466 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0256-7660
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Potential energy curves have been determined for the two one-electron capture processes S\*+ +He and S2+ t H by means of ab initio calculations with configuration interaction using a non-local pseudopotential on the sulfur atom. The radial coupling matrix elements have been calculated by the finite
The second-order ab initio effective valence shell Hamiltonian of quasi-degenerate many-body perturbation theory has been used to determine the valence state potential energy curves of SH and SH +. The calculated spectroscopic constants of various valence states are in good agreement with those of e