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
Ab initio molecular calculation of the SHe2+ and SH2+ multicharged ions
β Scribed by K. Amezian; M.C. Bacchus-Montabonel
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 286 KB
- Volume
- 199
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
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 difference method.
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