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Classical Path Methods for Lineshape Cross Sections

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Status and Future Developments in the Study of Transport Properties

Part of the book series: NATO ASI Series ((ASIC,volume 361))

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Abstract

A classical path method for calculating lineshape cross sections is tested by comparison with quantal calculations for HC1 in Ar, using an accurate anisotropic potential energy surface obtained from high-resolution spectra of Van der Waals complexes. The classical path method employed is an M-conserving approximation, using exponential perturbation theory. It is found that the classical path method seriously underestimates contributions from rainbow-like trajectories dominated by the attractive well of the potential. The errors are largest for the lowest rotational line, at collision energies comparable to or a little larger than the well depth. Possible ways of improving the classical path calculation are suggested.

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Author information

Author notes

  1. Jeremy M. Hutson

    Present address: Department of Chemistry, University of Durham, South Road, Durham, DH1 3LE, England

Authors and Affiliations

  1. Joint Institute for Laboratory Astrophysics, University of Colorado, Campus Box 440, Colorado, Boulder, 80309, USA

    Jeremy M. Hutson

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  1. Jeremy M. Hutson
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Editors and Affiliations

  1. Department of Chemical Engineering and Chemical Technology, Imperial College, London, UK

    W. A. Wakeham  & V. Vesovic  & 

  2. Department of Physics, University of Newcastle, Newcastle upon Tyne, UK

    A. S. Dickinson

  3. Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada

    F. R. W. McCourt

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© 1992 Springer Science+Business Media Dordrecht

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Hutson, J.M. (1992). Classical Path Methods for Lineshape Cross Sections. In: Wakeham, W.A., Dickinson, A.S., McCourt, F.R.W., Vesovic, V. (eds) Status and Future Developments in the Study of Transport Properties. NATO ASI Series, vol 361. Springer, Dordrecht. https://doi.org/10.1007/978-94-017-3076-1_3

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  • DOI: https://doi.org/10.1007/978-94-017-3076-1_3

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-90-481-4125-8

  • Online ISBN: 978-94-017-3076-1

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