DOI: 10.1063/1.1680536. Coupled channel study of rotational excitation of H2 by Li+ collisions

Coupled channel study of rotational excitation of H2 by Li+ collisions

10.1063/1.1680536

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Integral cross sections for rotational excitation of H2 by Li+ impact have been computed in a coupled channel formalism for the energy range 0.05–0.5 eV. Computational results are reported for the rigid rotator, ``energy corrected'' rigid rotator, and vibrating rotator models (the latter using accurate numerical vibrational functions of the Kolos-Wolniewicz potential including adiabatic correction). The ``energy corrected'' model, which adjusts the energy levels of the rigid rotator to agree closely with the experimental levels of the diatomic molecule by inclusion of the centrifugal distortion term, affords a noticeable improvement over the usual rigid rotator approximation for H2 with no increase in computational effort. Comparison with the classical rigid rotator results of LaBudde and Bernstein [J. Chem. Phys. 59, 3687 (1973)] show reasonable agreement with the present rigid rotator cross sections retaining open channels only. Peaks are obtained in the partial integral cross section in the threshold region for the (a) 0 → 2 transition (0.05 eV), (b) 0 → 4 transition (0.15 eV), and (c) 0 → 6 transition (0.3 eV). For 0 → 4,6 excitations, indirect transitions make the dominate contribution to the cross sections.

Bibliography

Lester, W. A., & Schaefer, J. (1973). Coupled channel study of rotational excitation of H2 by Li+ collisions. The Journal of Chemical Physics, 59(7), 3676â3686.

Authors 2

William A. Lester (first)
Joachim Schaefer (additional)

References 42 Referenced 85

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Dates

Type	When
Created	21 years, 6 months ago (Feb. 9, 2004, 4:10 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 6:59 a.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 12:27 a.m.)
Issued	51 years, 11 months ago (Oct. 1, 1973)
Published	51 years, 11 months ago (Oct. 1, 1973)
Published Print	51 years, 11 months ago (Oct. 1, 1973)

Funders 0

None

BibTeX

@article{Lester_1973, title={Coupled channel study of rotational excitation of H2 by Li+ collisions}, volume={59}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1680536}, DOI={10.1063/1.1680536}, number={7}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lester, William A. and Schaefer, Joachim}, year={1973}, month=oct, pages={3676–3686} }

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