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
Ab initio calculation of the J = 0 and J = 1 states of the H2+, D2+and HD+molecular ions
✍ Scribed by L. Hilico; N. Billy; B. Grémaud; D. Delande
- Book ID
- 106262020
- Publisher
- Springer
- Year
- 2000
- Tongue
- English
- Weight
- 349 KB
- Volume
- 12
- Category
- Article
- ISSN
- 1434-6060
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📜 SIMILAR VOLUMES
## Static-static distorted wave and vibrationally adiabatic distorted wave calculations have been performed for the product rotational distributions of the H.+ Dz + HD + D reaction using an accurate ab initio potential energy surface. Comparison is made with coupled states and quasiclassical traje
Integral and differential state-resolved cross sections have been calculated by the method of quasiclassical trajectories for the H t D,+HD+D reaction in the range of initial conditions of interest to recent experiments. When possible, the results are compared to exact quantum-mechanical calculation