Skip to main content
SpringerLink
Log in

Quantum mechanical treatment of reactive scattering problems

  • Conference paper
  • First Online:
Book cover Parallel Scientific Computing (PARA 1994)

Part of the book series: Lecture Notes in Computer Science ((LNCS,volume 879))

Included in the following conference series:

  • 154 Accesses

Abstract

The numerical problems concerning the exact solution of reactive scattering problems are discussed and solution schemes in terms of wavepacket propagation methodology based on FFT (fast fourier transformation) technique and Lanczos iterative reduction technique are given.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. J. Z. Zhang and W. H. Miller, Chem. Phys. Lett. 140(1987)329; J. Chem. Phys. 88(1989)4549; E. Manolopoulos and R. E. Wyatt, Chem. Phys. Lett. 152(1988)23; J. M. Launay and B. Lepetit, ibid. 144(1988)346; J. D. Kress, R. T. Pack and G. A. Parker, Chem. Phys. Lett. 170(1990)306; J. M. Launay and M. Le Dourneuf, ibid. 169(1990)473; D. Neuhauser, M. Baer, R. S. Judson and D. J. Kouri, Chem. Phys. Lett. 169(1990)372; G. D. Billing and N. Markovic,J. Chem. Phys. 99(1993)2674.

    Google Scholar 

  2. D. H. Zhang and J. Z. H. Zhang, J. Chem. Phys. 99(1993)5615; 100(1994)2697; D. H. Zhang and J. Z. H. Zhang, J. Chem. Phys. (submitted); H. Szichman and M. Baer, (submitted).

    Google Scholar 

  3. J. T. Muckerman, R. D. Gilbert and G. D. Billing, J. Chem. Phys.88(1988)4779.

    Google Scholar 

  4. N. Markovic and G. D. Billing, J. Chem. Phys. 100(1994)1085.

    Google Scholar 

  5. G. D. Billing, Chem. Phys. 159(1992)109; N. Markovic and G. D. Billing, J. Chem. Phys. 97(1992)8201; Chem. Phys. 173(1993)385; G. D. Billing, “The Classical Path Method in Inelastic and Reactive Scattering”, Int. Reviews in Physical Chemistry 1994(in press); G. D. Billing and K. V. Mikkelsen, Chem. Phys. 182(1994)249; N. Balakrishnan and G. D. Billing, J. Chem. Phys. 1994(in press).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry, H. C. ørsted Institute, University of Copenhagen, 2100 Ø, Copenhagen

    Gert D. Billing

Authors
  1. Gert D. Billing
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Jack Dongarra Jerzy Waśniewski

Rights and permissions

Reprints and permissions

Copyright information

© 1994 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Billing, G.D. (1994). Quantum mechanical treatment of reactive scattering problems. In: Dongarra, J., Waśniewski, J. (eds) Parallel Scientific Computing. PARA 1994. Lecture Notes in Computer Science, vol 879. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0030138

Download citation

  • DOI: https://doi.org/10.1007/BFb0030138

  • Published:

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-58712-5

  • Online ISBN: 978-3-540-49050-0

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation