Reduced-dimension quantum calculations for molecule-surface reactions
โ Scribed by Nicholas S. Munn; David C. Clary
- Book ID
- 103031362
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 419 KB
- Volume
- 246
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
We present converged quantum mechanical scattering calculations of reaction and quenching probabilities for a problem involving an electronically excited product. The calculations correspond to two coupled potential energy surfaces representing the ground and first electronically excited state of H2
We present a REDUCE package for analitical computation of arbitrary massless, one-and two-loop Feynman diagrams of the propagator type within dimensional regularization.
Quantum-mechanical transition probabilities are presented for the molecule HCl(o,) reacting with a solid surface S. i.e. HCl(u,)+S --) HS+ c1: u, = 0,. \_\_ .4. The calculations were done for a fixed parallel approach (y = T/Z) of the molecule\_ Results are shown as a function of total energy E,, fo