DOI: 10.1063/1.443342. Exact time-dependent wave packet propagation: Application to the photodissociation of methyl iodide

Exact time-dependent wave packet propagation: Application to the photodissociation of methyl iodide

10.1063/1.443342

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We propose a technique for exact wave packet propagation by a straightforward extension of the semiclassical wave packet propagation procedure. This is an efficient method to calculate photodissociation, Raman, and resonance Raman scattering cross sections. It is applied to the photodissociation of CH3I. The potential surfaces for CH3I are those suggested by Shapiro and Bersohn [J. Chem. Phys. 73, 3810 (1980)]. The results that we obtained by this time-dependent approach differs significantly from those of Shapiro and Bersohn, where a time-independent technique is used to calculate the cross sections.

Bibliography

Lee, S.-Y., & Heller, E. J. (1982). Exact time-dependent wave packet propagation: Application to the photodissociation of methyl iodide. The Journal of Chemical Physics, 76(6), 3035â3044.

Authors 2

Soo-Y. Lee (first)
Eric J. Heller (additional)

References 39 Referenced 294

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Dates

Type	When
Created	22 years, 6 months ago (Feb. 28, 2003, 6:17 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 1:36 p.m.)
Indexed	3 weeks, 5 days ago (Aug. 6, 2025, 8:42 a.m.)
Issued	43 years, 5 months ago (March 15, 1982)
Published	43 years, 5 months ago (March 15, 1982)
Published Print	43 years, 5 months ago (March 15, 1982)

Funders 0

None

BibTeX

@article{Lee_1982, title={Exact time-dependent wave packet propagation: Application to the photodissociation of methyl iodide}, volume={76}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.443342}, DOI={10.1063/1.443342}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lee, Soo-Y. and Heller, Eric J.}, year={1982}, month=mar, pages={3035–3044} }

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