๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A semiclassical correlation function approach to barrier tunneling

โœ Scribed by Frank Grossmann; Eric J. Heller


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
519 KB
Volume
241
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

โœฆ 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.


๐Ÿ“œ SIMILAR VOLUMES


Wave packet correlation function approac
โœ Sophya Garashchuk; David Tannor ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 639 KB

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

Semiclassical trajectory approach to pho
โœ A. Warshel; M. Karplus ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 763 KB

Rcccivcd 2 Dcccmbcr 1974 A scmiclossical trajectory approach has been used rd study ?he cis-irans isomerization fram the triplet state of butene-2. It is found that use of the full conformational space for the trajectory calculation permits one to demonstrate that a simplified treatment is applicabl

A Semiclassical Approach to the Dirac Eq
โœ Jens Bolte; Stefan Keppeler ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 273 KB

We derive a semiclassical time evolution kernel and a trace formula for the Dirac equation. The classical trajectories that enter the expressions are determined by the dynamics of relativistic point particles. We carefully investigate the transport of the spin degrees of freedom along the trajectori

On the partition function of free intern
โœ Hui-yun Pan ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 161 KB

On the basis of the semiclassical approximation, a new formula is proposed to evaluate the partition function of free internal rotation. This formula has correct limiting behavior and for a given temperature it gives accurate numerical values for the partition function and related thermodynamic func