Scattering matrix elements for the collinear Hz(c')+H---,H+Hz(v') reaction are obtained using a recently developed timedependent approach to scattering. The correlation function between reactant channel wave packet and product channel wave packet is used to determine the S-matrix elements. The time
A semiclassical correlation function approach to barrier tunneling
โ Scribed by Frank Grossmann; Eric J. Heller
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 519 KB
- Volume
- 241
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
A time domain approach employing the semiclassical approximation to the quantum mechanical propagator, as applied to Gaussian wavepackets, is used to study the barrier penetration problem. We have observed that qualitative agrepment with the exact quantum calculations for the correlation function and the transmission probability can be achieved by considering only classically allowed trajectories. The results slowly tend to the classical step function at the barrier top as a function of the wavepacket center parameter, however. We suggest that a full semiclassical calculation, including nonclassical trajectories with complex energies, would improve the results.
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