Calculations for non-adiabatic atom-molecule collisions at low energies frequently make use of a sudden approximation vis-avis the molecule rotation. The present work investigates the effect on vibronic excitation and charge-transfer processes of freeing the rotation of the molecule during the colli
Assessing the accuracy of the vibrational sudden approximation in collinear atom + triatomic molecule collisions
β Scribed by J.W. Askew; S.R. McIntyre; G.A. Pfeffer
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 419 KB
- Volume
- 209
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Exact and vibrational sudden approximation (VSA) transition probabilities for He+ HIZ, Be&, BeBr, and CO2 at 0.5 to 3.0 eV are calculated and compared. The agreement between the VSA and the exact results for the excitation of the symmetric stretch is excellent for HI2 (even for large changes in the vibrational quantum number), degrades slightly on going to BeI, and again to BeBr* and becomes unacceptable for the CO2 case. These trends are in accord with previous validity criteria. The agreement for the excitation of the asymmetric stretch is only qualitatively correct.
π SIMILAR VOLUMES
## Accurate quantum mechanical transition probabilities for vIbrationa to vibrational and vibrational to translational cncr- gy txm\fcr in collmcar colliaons of two hydrogen molecules were calculated for a model pootentki by numerica integration of the Sduodmgcr equation. The accuracy of these cal