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The Continuum Multiple-Scattering Approach to Electron-Molecule Scattering and Molecular Photoionization

  • J. L. Dehmer
  • Dan Dill

Abstract

Properties of the electronic continuum of molecules such as cross sections for photoionization and electron scattering are both scientifically interesting and important for practical applications. Nevertheless, this subject is largely unexplored owing to the computational difficulty associated with the nonseparable nature of the multicenter wave equation, for which no practical, comprehensive method of solution exists. This volume summarizes the most promising approaches designed to cope with this dilemma, e.g., R-matrix, single-center expansion, L2, and continuum multiple-scattering methods. Each shares the same general goal and has met with substantial success, but always with limitations in scope or accuracy dictated by the compromises required in developing a workable scheme.

Keywords

Partial Wave Integrate Cross Section Molecular Field Shape Resonance Hole Localization 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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References

  1. 1.
    J. L. Dehmer and D. Dill, Argonne National Laboratory Radiological and Environmental Research Division Annual Report, July 1972-June 1973, ANL-8060, Part I, pp. 119–157.Google Scholar
  2. 2.
    D. Dill and J. L. Dehmer, J. Chem. Phys. 61, 692 (1974).CrossRefGoogle Scholar
  3. 3.
    K. H. Johnson, in Advances in Quantum Chemistry, P.-O. Löwdin, Ed. ( Academic Press, New York, 1973 ), Vol. 7, p. 143.Google Scholar
  4. 4.
    J. Siegel, D. Dill, and J. L. Dehmer, J. Chem. Phys. 64, 3204 (1976)CrossRefGoogle Scholar
  5. 5.
    J. Siegel, Ph.D. Thesis, Department of Chemistry, Boston University, 1978.Google Scholar
  6. 6.
    J. C. Slater, Quantum Theory of Atomic Structure (McGraw-Hill, N. Y., 1960 ) Appendix 22; and Quantum Theory of Molecules and Solids, Vol. IV ( McGraw-Hill, N. Y., 1974 ).Google Scholar
  7. 7.
    S. Hara, J. Phys. Soc. Japan 22, 710 (1967).CrossRefGoogle Scholar
  8. 8.
    J. B. Furness and I. E. McCarthy, J. Phys. B 6, 2280 (1973).CrossRefGoogle Scholar
  9. 9.
    M. E. Riley and D. G. Truhlar, J. Chem. Phys. 63, 2182 (1975).CrossRefGoogle Scholar
  10. 10.
    U. Fano and D. Dill, Phys. Rev. A 6, 185 (1972)CrossRefGoogle Scholar
  11. 11.
    J. Siegel, D. Dill, and J. L. Dehmer, Phys. Rev. A 17, 2106 (1978).CrossRefGoogle Scholar
  12. 12.
    J. L. Dehmer and Dan Dill, Phys. Rev. Letters 35, 213 (1975).CrossRefGoogle Scholar
  13. 13.
    J. L. Dehmer and Dan Dill, J. Chem. Phys. 65, 5327 (1976).Google Scholar
  14. 14.
    R. B. Kay, Ph. E. Van der Leeuw, and M. J. Van der Wiel, J. Phys. B 10, 2513 (1977).CrossRefGoogle Scholar
  15. 15.
    T. N. Rescigno and P. W. Langhoff, Chem. Phys. Lett. 51, 65 (1977).CrossRefGoogle Scholar
  16. 16.
    D. Dill and U. Fano, Phys. Rev. Lett. 29, 1203 (1972).CrossRefGoogle Scholar
  17. 17.
    E. S. Chang, J. Phys. B 11, L293 (1978).CrossRefGoogle Scholar
  18. 18.
    D. Dill, J. Chem. Phys. 65, 1130 (1976).CrossRefGoogle Scholar
  19. 19.
    D. Dill, J. Siegel, and J. L. Dehmer, J. Chem. Phys. 65, 3158 (1976).CrossRefGoogle Scholar
  20. 20.
    J. W. Davenport, Phys. Rev. Lett. 36, 945 (1976).CrossRefGoogle Scholar
  21. 21.
    S. Wallace, D. Dill, and J. L. Dehmer, Phys. Rev. B 17, 2004 (1978).Google Scholar
  22. 22.
    J. W. Davenport, W. Ho, and J. R. Schrieffer, Phys. Rev. B 17, 3115 (1978).CrossRefGoogle Scholar
  23. 23.
    D. M. Chase, Phys. Rev. 104, 838 (1956).CrossRefGoogle Scholar
  24. 24.
    N. Chandra and A. Temkin, Phys. Rev. A 13, 188 (1976).CrossRefGoogle Scholar
  25. 25.
    R. K. Nesbet, Phys. Rev. A. (to be published).Google Scholar
  26. 26.
    D. Dill and J. L. Dehmer, Phys. Rev. A 16, 1423 (1977).CrossRefGoogle Scholar
  27. 27.
    J. Siegel, J. L. Dehmer, and D. Dill, Phys. Rev. A, to be published.Google Scholar
  28. 28.
    J. L. Dehmer, J. Siegel, J. Welch, and D. Dill, Phys. Rev. A, to be published.Google Scholar
  29. 29.
    M. G. Lynch, D. Dill, J. Siegel, and J. L. Dehmer, J. Chem. Phys., to be published.Google Scholar
  30. 30.
    J. Welch, D. Dill, J. Siegel, and J. L. Dehmer, to be published.Google Scholar
  31. 31.
    J. L. Dehmer, J. Siegel, and Dan Dill, J. Chem. Phys. 69, 5205 (1978).Google Scholar
  32. 32.
    See, e.g., (a) M. Krauss and F. H. Mies, Phys. Rev. A 1, 1592 (1970);Google Scholar
  33. (b).
    D. T. Birtwistle and A. Herzenberg, J. Phys. B 4, 53 (1971);CrossRefGoogle Scholar
  34. (c).
    P. G. Burke and N. Chandra, J. Phys. B 5, 1696 (1972);CrossRefGoogle Scholar
  35. (d).
    B. D. Buckley and P. G. Burke, J. Phys. B 10, 725 (1977);CrossRefGoogle Scholar
  36. (e).
    M. A. Morrison and B. I. Schneider, Phys. Rev. A 16, 1003 (1977);CrossRefGoogle Scholar
  37. (f).
    M. A. Morrison and L. A. Collins, Phys. Rev. A 17, 918 (1978);CrossRefGoogle Scholar
  38. (g).
    A. W. Fliflet, D. A. Levin, M. Ma, and V. McKoy, Phys. Rev. A. 17, 160 (1978).CrossRefGoogle Scholar
  39. 33.
    R. E. Kennerly, Phys. Rev. A, to be published.Google Scholar
  40. 34.
    D. E. Golden, Phys. Rev. Lett 17, 847 (1966).CrossRefGoogle Scholar
  41. 35.
    J. P. Bromberg, J. Chem. Phys. 52, 1243 (1970).CrossRefGoogle Scholar
  42. 36.
    R. D. DuBois and M. E. Rudd, J. Phys. B 9, 2657 (1976).CrossRefGoogle Scholar
  43. 37.
    S. K. Srivastava, A. Chutjian, and S. Trajmar, J. Chem. Phys. 64, 1340 (1976).CrossRefGoogle Scholar
  44. 38.
    D. Hermann, K. Jost, and J. Kessler, J. Chem. Phys. 64, 1 (1976).CrossRefGoogle Scholar
  45. 39.
    D.C. Cartawright, A. Chutjian, S. Trajamr, and W. Williams Phys. Rev. A 16, 1013 (1977).CrossRefGoogle Scholar
  46. 40.
    H. Ehrhardt and K. Willmann, Z. Phys. 204, 462Google Scholar
  47. 41.
    T. W. Shyn, R. S. Stolarski, and G. R. Carignan, 6, 1003 (1972).Google Scholar
  48. 42.
    T. G. Finn and J. P. Doering, J. Chem. Phys. 63,4399(1975)Google Scholar
  49. 43.
    Z. Pavlovic, M. J. Boness, A. Herzenberg, and G. Phys. Rev. A 6, 676 (1972)CrossRefGoogle Scholar
  50. 44.
    M. Morrison, N. Lane, and L. Collins, Phys. Rev.A 15, 2186 (1977)Google Scholar
  51. 45.
    C. Ramsauer, Ann. Phys. (Leipzig) 83, 1129 (1927).Google Scholar
  52. 46.
    E. Bruche, Ann. Phys. (Leipz) 83, 1065 (1927); see also R. B. Brode, Rev. Mod. Phys. 5, 257 (1933).Google Scholar
  53. 47.
    T. W. Shyn, W. E. Sharp, and G. R. Carignan, Phys. Rev. A 17, 1855 (1978).CrossRefGoogle Scholar
  54. 48.
    C. Szmytkowski and M. Zubek, Chem. Phys. Lett. 57, 105 (1978).CrossRefGoogle Scholar
  55. 49.
    M. J. W. Boness and G. J. Schulz, Phys. Rev. A 9, 1969 (1974).CrossRefGoogle Scholar
  56. 50.
    C. R. Claydon, G. A. Segal, and H. S. Taylor, J. Chem. Phys. 52, 3387 (1970).CrossRefGoogle Scholar
  57. 51.
    P. D. Burrow, private communication.Google Scholar
  58. 52.
    R. E. Kennerly, R. A. Bonham, and M. McMillan, J. Chem. Phys., 70, 2039 (1979).CrossRefGoogle Scholar
  59. 53.
    J. L. Dehmer, J. Chem. Phys. 56, 4496 (1972).CrossRefGoogle Scholar
  60. 54.
    M. G. Benedict and I. Gyemant, Int. J. Quantum Chem. 13, 597 (1978).CrossRefGoogle Scholar
  61. 55.
    J. L. Dehmer, Physica Fennica 9 (S1), 60 (1974).Google Scholar
  62. 56.
    J. L. Dehmer and D. Dill, in Proceedings of the Second International Conference on Inner-Shell Ionization Phenomena - Invited Papers, Freiburg, Germany, 29 March-2 April 1976, Ed., W. Mehlhorn and R. Brenn ( Fakultät für Physik, Universität, Freiburg, 1976 ), p. 221.Google Scholar
  63. 57.
    S. Wallace and D. Dill, Phys. Rev. B 17, 1692 (1978).CrossRefGoogle Scholar
  64. 58.
    J. W. Davenport. Ph.D. Thesis, University of Pennsylvania (1976).Google Scholar
  65. 59.
    C. L. Allyn, T. Gustafsson, and E. W. Plummer, Chem. Phys. Lett. 47, 127 (1977).CrossRefGoogle Scholar
  66. 60.
    E. W. Plummer, T. Gustafsson, W. Gudat, and D. E. Eastman, Phys. Rev. A 15, 2339 (1977).CrossRefGoogle Scholar
  67. 61.
    H. Levinson, T. Gustafsson, and P. Soven, Phys. Rev. A, to be published.Google Scholar
  68. 62.
    G. R. Wight, C. E. Brion, and M. J. Van der Wiel, J. Electron Spectrosc. 1, 457 (1972/1973). A more quantitative measurement has been published recently in ref. 14.Google Scholar
  69. 63.
    G. R. Wight and C. E. Brion, J. Electron Spectrosc. 4, 313 (1974).CrossRefGoogle Scholar
  70. 64.
    D. Dill, S. Wallace, J. Siegel, and J. L. Dehmer, Phys. Rev. Lett. 41, 1230 (1978); 42, 411 (1979).Google Scholar
  71. 65.
    P. Bagus and H. Schaeffer, J. Chem. Phys. 56, 224 (1972).CrossRefGoogle Scholar

Copyright information

© Plenum Press, New York 1979

Authors and Affiliations

  • J. L. Dehmer
    • 1
  • Dan Dill
    • 2
  1. 1.Argonne National LaboratoryArgonneUSA
  2. 2.Department of ChemistryBoston UniversityBostonUSA

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