Skip to main content
SpringerLink
Log in

Computer simulations of molecular collision processes

  • Conference paper
  • First Online:
High-Performance Computing and Networking (HPCN-Europe 1994)

Part of the book series: Lecture Notes in Computer Science ((LNCS,volume 796))

Included in the following conference series:

  • 167 Accesses

Abstract

A method for molecular dynamics (MD) simulations of molecular collision processes on the basis of the Density-Functional-Theory within the Local Density Approximation (DFT-LDA) and LCAO representation is presented. The consideration of the collision statistics is realized employing parallel computer techniques. The results of simulations for carbon cluster deuterium collisions 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. Seifert G. and Jones R. O.: Z. Phys. D20, 77 (1991), J. Chem. Phys. 96, 7564 (1992)

    Google Scholar 

  2. Verlet L.: Phys. Rev. 159, 98 (1967)

    Google Scholar 

  3. Seifert, G. and Schmidt, R.: New J. Chem. 16, 1145 (1992)

    Google Scholar 

  4. Schulte,J., Lucchese, R.R. and Marlow, W.H.: J. Chem. Phys. 99 (2), 1178 (1993)

    Google Scholar 

  5. Schmidt, R., Seifert G. and Lutz, H.O.: Physics Letters A158, 231 (1991)

    Google Scholar 

  6. Seifert G. and Schulte, J.: Physics Letters, (submitted for publication)

    Google Scholar 

  7. McElvany, S.W., Dunlap, B.I. and O'Keefe, A.: J. Chem. Phys. 86, 715 (1987)

    Google Scholar 

  8. Schulte, J., Lucchese, R.R. and Marlow, W.H.: Proc. of the Mater. Res. Soc. 206, 189 (1991)

    Google Scholar 

  9. Krätzschmer, W., Lamb, L.D., Fostiropoulos, K. and Huffman, D.R.: Nature 347, 354 (1990)

    Google Scholar 

  10. Haufler, R.E., Conceicao, J., Chibante, L.P.F., Chai, Y., Byrne, N.E., Flanangan, S., Haley, M.M., O'Brien, S.C., Pan, C., Xiao, Z., Billups, W.E., Cinfolini, M.A., Hauge, R.H., Margrave, J.L., Wilson, L.J., Curl, R.F. and Smalley, R.E.: J. Chem. Phys. 94, 8634 (1990)

    Google Scholar 

  11. Weiske, T., Hrusak, J., Böhme, D.K. and Schwarz, H.: Chem. Phys. Lett. 186, 459 (1991)

    Google Scholar 

  12. Wan, Z., Christian, J.F., Anderson, S.L.: J. Chem. Phys. 96, 3344 (1992)

    Google Scholar 

  13. Campbell, E.E.B., Ehlich, R., Hielscher, A., Frazao, J.M.A. and Hertel, I.V.: Z. Phys. D23, 1 (1992)

    Google Scholar 

  14. Ehlich, R., Campbell, E.E.B., Knospe, O. and Schmidt, R.: Z. Phys. D28, 153 (1993)

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. National Superconductiong Cyclotron Laboratory, Michigan State University, 48824, East Lansing, Michigan, USA

    J. Schulte

  2. Institut für Theoretische Physik, Technische Universität Dresden, D-01069, Dresden, Germany

    G. Seifert

Authors
  1. J. Schulte
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. G. Seifert
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Wolfgang Gentzsch Uwe Harms

Rights and permissions

Reprints and permissions

Copyright information

© 1994 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Schulte, J., Seifert, G. (1994). Computer simulations of molecular collision processes. In: Gentzsch, W., Harms, U. (eds) High-Performance Computing and Networking. HPCN-Europe 1994. Lecture Notes in Computer Science, vol 796. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0020377

Download citation

  • DOI: https://doi.org/10.1007/BFb0020377

  • Published:

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-57980-9

  • Online ISBN: 978-3-540-48406-6

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation