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The full quantum mechanical three body problem of H +2

Non-adiabatic R-matrix calculations for proton-hydrogen scattering

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Parallel Scientific Computing (PARA 1994)

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

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Abstract

A model describing the fill quantum mechanical three body problem of the hydrogen molecular ion is presented, and some of the numerical results are subsequently discussed. The overall numerical scheme is based on a variation principle for the matrix representation of the scattering problem set up using grid-methods (e.g. finite element method) and associated quadrature-schemes (a discrete variable representation).

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Author information

Authors and Affiliations

  1. Department of Chemistry, H. C. Ørsted Institute, 2100, Copenhagen Ø, Denmark

    K. Museth & G. D. Billing

  2. Department of Chemistry, Aarhus University, 8000, Aarhus C, Denmark

    J. Linderberg

Authors
  1. K. Museth
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  2. G. D. Billing
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  3. J. Linderberg
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Editor information

Jack Dongarra Jerzy Waśniewski

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© 1994 Springer-Verlag Berlin Heidelberg

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Museth, K., Billing, G.D., Linderberg, J. (1994). The full quantum mechanical three body problem of H +2 . 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/BFb0030167

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  • DOI: https://doi.org/10.1007/BFb0030167

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-58712-5

  • Online ISBN: 978-3-540-49050-0

  • eBook Packages: Springer Book Archive

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