DOI: 10.1063/1.455957. Use of the discrete variable representation in the quantum dynamics by a wave packet propagation: Predissociation of NaI(1Σ+) →NaI(0+)→Na(2<i>S</i>)+I(2<i>P</i>)

Use of the discrete variable representation in the quantum dynamics by a wave packet propagation: Predissociation of NaI(1Σ+) →NaI(0+)→Na(2S)+I(2P)

10.1063/1.455957

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Using the Gauss–Chebyshev discrete variable representation (DVR), the dissociative quantum dynamics for a wave packet evolving under the influence of the Hamiltonian for two interacting diabatic states of a diatomic molecule is calculated. The split time evolution operator method is used to obtain the solutions to the time-dependent Schrödinger equation. A specific example of the numerical calculation is shown for the predissociation process of NaI→Na(2S)+I(2P) from its first excited electronic state (0+). The numerical results are compared with the experimental observations from the femtosecond laser photofragmentation, recently reported by Zewail and co-workers.

Bibliography

Choi, S. E., & Light, J. C. (1989). Use of the discrete variable representation in the quantum dynamics by a wave packet propagation: Predissociation of NaI(1Î£+) âNaI(0+)âNa(2S)+I(2P). The Journal of Chemical Physics, 90(5), 2593â2604.

Authors 2

Seung E. Choi (first)
J. C. Light (additional)

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 9:20 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 4:08 a.m.)
Indexed	4 weeks ago (Aug. 7, 2025, 4:39 p.m.)
Issued	36 years, 6 months ago (March 1, 1989)
Published	36 years, 6 months ago (March 1, 1989)
Published Print	36 years, 6 months ago (March 1, 1989)

Funders 0

None

BibTeX

@article{Choi_1989, title={Use of the discrete variable representation in the quantum dynamics by a wave packet propagation: Predissociation of NaI(1Σ+) →NaI(0+)→Na(2S)+I(2P)}, volume={90}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.455957}, DOI={10.1063/1.455957}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Choi, Seung E. and Light, J. C.}, year={1989}, month=mar, pages={2593–2604} }

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