✦ LIBER ✦
Quantum-dynamical calculation of elementary decay rates for model linear triatomic systems in natural reaction coordinates
✍ Scribed by M.V. Basilevsky; V.M. Ryaboy
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 472 KB
- Volume
- 98
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
A direct method for calculating resonant states in reactive scattering is applied to calculate the energies and widths (inverse decay rates) of quasibound states of a model linear ABC molecule_ The molecular parameters accepted (the frequency ratio of symmetric to antisymmetric vibration wr/ws = 5.3 and dissociation energy Di%wa = 22.25) may be considered as arerage characteristics of HOX (X = F, Cl, Br) molecules. Natural reaction coordinates are used for dynamical calculations. The position of the ma.timum curvature point on the minimumenergy path is considered as a factor determining decay rates.